*HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-DEC-08 2KCU *TITLE NMR SOLUTION STRUCTURE OF AN UNCHARACTERIZED PROTEIN FROM *TITLE 2 CHLOROBIUM TEPIDUM. NORTHEAST STRUCTURAL GENOMICS TARGET *TITLE 3 CTR107 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PROTEIN CTR107; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBACULUM TEPIDUM; *SOURCE 3 ORGANISM_TAXID: 1097; *SOURCE 4 GENE: CT0179; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET 21-23C *KEYWDS PROTEIN STRUCTURE, PSI, NESGC, STRUCTURAL GENOMICS, PROTEIN *KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS *KEYWDS 3 CONSORTIUM, UNKNOWN FUNCTION *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR J.L.MILLS, Q.ZHANG, D.K.SUKUMARAN, D.WANG, M.JIANG, *AUTHOR 2 E.L.FOOTE, R.XIAO, R.NAIR, J.K.EVERETT, G.SWAPNA, T.B.ACTON, *AUTHOR 3 B.ROST, G.T.MONTELIONE, T.SZYPERSKI, NORTHEAST STRUCTURAL *AUTHOR 4 GENOMICS CONSORTIUM (NESG) *REVDAT 1 20-JAN-09 2KCU 0 nassign=1500 assign (resid 7 and name C ) (resid 8 and name N ) (resid 8 and name CA ) (resid 8 and name C ) 1.0 -83.0 38.0 2 assign (resid 8 and name N ) (resid 8 and name CA ) (resid 8 and name C ) (resid 9 and name N ) 1.0 136.0 29.0 2 assign (resid 8 and name C ) (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) 1.0 -105.0 32.0 2 assign (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) (resid 10 and name N ) 1.0 127.0 36.0 2 assign (resid 10 and name C ) (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) 1.0 -110.0 27.0 2 assign (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) (resid 12 and name N ) 1.0 122.0 19.0 2 assign (resid 11 and name C ) (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) 1.0 -124.0 31.0 2 assign (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) (resid 13 and name N ) 1.0 146.0 31.0 2 assign (resid 12 and name C ) (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) 1.0 -91.0 22.0 2 assign (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) (resid 14 and name N ) 1.0 131.0 24.0 2 assign (resid 13 and name C ) (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) 1.0 -92.0 45.0 2 assign (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) (resid 15 and name N ) 1.0 134.0 53.0 2 assign (resid 14 and name C ) (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) 1.0 -85.0 40.0 2 assign (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) (resid 16 and name N ) 1.0 124.0 41.0 2 assign (resid 18 and name C ) (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) 1.0 -116.0 47.0 2 assign (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) (resid 20 and name N ) 1.0 156.0 25.0 2 assign (resid 19 and name C ) (resid 20 and name N ) (resid 20 and name CA ) (resid 20 and name C ) 1.0 -132.0 39.0 2 assign (resid 20 and name N ) (resid 20 and name CA ) (resid 20 and name C ) (resid 21 and name N ) 1.0 152.0 29.0 2 assign (resid 20 and name C ) (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name C ) 1.0 -134.0 49.0 2 assign (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name C ) (resid 22 and name N ) 1.0 153.0 20.0 2 assign (resid 21 and name C ) (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) 1.0 -131.0 44.0 2 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) (resid 23 and name N ) 1.0 139.0 32.0 2 assign (resid 22 and name C ) (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) 1.0 -114.0 31.0 2 assign (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) (resid 24 and name N ) 1.0 130.0 29.0 2 assign (resid 23 and name C ) (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) 1.0 -117.0 32.0 2 assign (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) (resid 25 and name N ) 1.0 135.0 32.0 2 assign (resid 24 and name C ) (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) 1.0 -110.0 29.0 2 assign (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) (resid 26 and name N ) 1.0 124.0 35.0 2 assign (resid 25 and name C ) (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) 1.0 -117.0 60.0 2 assign (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) (resid 27 and name N ) 1.0 148.0 47.0 2 assign (resid 26 and name C ) (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) 1.0 -110.0 63.0 2 assign (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) (resid 28 and name N ) 1.0 159.0 32.0 2 assign (resid 30 and name C ) (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) 1.0 -60.0 15.0 2 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) (resid 32 and name N ) 1.0 -38.0 21.0 2 assign (resid 32 and name C ) (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) 1.0 -66.0 11.0 2 assign (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) (resid 34 and name N ) 1.0 -42.0 11.0 2 assign (resid 33 and name C ) (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) 1.0 -62.0 11.0 2 assign (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) (resid 35 and name N ) 1.0 -43.0 22.0 2 assign (resid 34 and name C ) (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) 1.0 -71.0 26.0 2 assign (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) (resid 36 and name N ) 1.0 -35.0 30.0 2 assign (resid 35 and name C ) (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) 1.0 -59.0 14.0 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) (resid 37 and name N ) 1.0 -41.0 22.0 2 assign (resid 36 and name C ) (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) 1.0 -71.0 26.0 2 assign (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) (resid 38 and name N ) 1.0 -37.0 32.0 2 assign (resid 37 and name C ) (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) 1.0 -64.0 11.0 2 assign (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) (resid 39 and name N ) 1.0 -41.0 14.0 2 assign (resid 38 and name C ) (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name C ) 1.0 -66.0 15.0 2 assign (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name C ) (resid 40 and name N ) 1.0 -42.0 25.0 2 assign (resid 39 and name C ) (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) 1.0 -60.0 11.0 2 assign (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) (resid 41 and name N ) 1.0 -43.0 10.0 2 assign (resid 50 and name C ) (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) 1.0 -116.0 41.0 2 assign (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) (resid 52 and name N ) 1.0 162.0 21.0 2 assign (resid 51 and name C ) (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) 1.0 -114.0 61.0 2 assign (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) (resid 53 and name N ) 1.0 117.0 48.0 2 assign (resid 57 and name C ) (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name C ) 1.0 -137.0 20.0 2 assign (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name C ) (resid 59 and name N ) 1.0 150.0 31.0 2 assign (resid 58 and name C ) (resid 59 and name N ) (resid 59 and name CA ) (resid 59 and name C ) 1.0 -130.0 35.0 2 assign (resid 59 and name N ) (resid 59 and name CA ) (resid 59 and name C ) (resid 60 and name N ) 1.0 125.0 14.0 2 assign (resid 59 and name C ) (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) 1.0 -116.0 31.0 2 assign (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) (resid 61 and name N ) 1.0 136.0 25.0 2 assign (resid 60 and name C ) (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) 1.0 -126.0 25.0 2 assign (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) (resid 62 and name N ) 1.0 137.0 28.0 2 assign (resid 61 and name C ) (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) 1.0 -88.0 31.0 2 assign (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) (resid 63 and name N ) 1.0 134.0 39.0 2 assign (resid 67 and name C ) (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) 1.0 -120.0 55.0 2 assign (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) (resid 69 and name N ) 1.0 150.0 23.0 2 assign (resid 68 and name C ) (resid 69 and name N ) (resid 69 and name CA ) (resid 69 and name C ) 1.0 -129.0 48.0 2 assign (resid 69 and name N ) (resid 69 and name CA ) (resid 69 and name C ) (resid 70 and name N ) 1.0 150.0 35.0 2 assign (resid 69 and name C ) (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name C ) 1.0 -115.0 48.0 2 assign (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name C ) (resid 71 and name N ) 1.0 137.0 38.0 2 assign (resid 70 and name C ) (resid 71 and name N ) (resid 71 and name CA ) (resid 71 and name C ) 1.0 -131.0 24.0 2 assign (resid 71 and name N ) (resid 71 and name CA ) (resid 71 and name C ) (resid 72 and name N ) 1.0 151.0 30.0 2 assign (resid 72 and name C ) (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name C ) 1.0 -64.0 11.0 2 assign (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name C ) (resid 74 and name N ) 1.0 -31.0 26.0 2 assign (resid 74 and name C ) (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name C ) 1.0 -130.0 31.0 2 assign (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name C ) (resid 76 and name N ) 1.0 155.0 10.0 2 assign (resid 76 and name C ) (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) 1.0 -135.0 18.0 2 assign (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) (resid 78 and name N ) 1.0 162.0 27.0 2 assign (resid 87 and name C ) (resid 88 and name N ) (resid 88 and name CA ) (resid 88 and name C ) 1.0 -128.0 29.0 2 assign (resid 88 and name N ) (resid 88 and name CA ) (resid 88 and name C ) (resid 89 and name N ) 1.0 163.0 28.0 2 assign (resid 88 and name C ) (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name C ) 1.0 -128.0 53.0 2 assign (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name C ) (resid 90 and name N ) 1.0 163.0 20.0 2 assign (resid 90 and name C ) (resid 91 and name N ) (resid 91 and name CA ) (resid 91 and name C ) 1.0 -131.0 30.0 2 assign (resid 91 and name N ) (resid 91 and name CA ) (resid 91 and name C ) (resid 92 and name N ) 1.0 160.0 29.0 2 assign (resid 91 and name C ) (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name C ) 1.0 -128.0 47.0 2 assign (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name C ) (resid 93 and name N ) 1.0 124.0 41.0 2 assign (resid 93 and name C ) (resid 94 and name N ) (resid 94 and name CA ) (resid 94 and name C ) 1.0 -127.0 48.0 2 assign (resid 94 and name N ) (resid 94 and name CA ) (resid 94 and name C ) (resid 95 and name N ) 1.0 161.0 28.0 2 assign (resid 96 and name C ) (resid 97 and name N ) (resid 97 and name CA ) (resid 97 and name C ) 1.0 -138.0 23.0 2 assign (resid 97 and name N ) (resid 97 and name CA ) (resid 97 and name C ) (resid 98 and name N ) 1.0 152.0 23.0 2 assign (resid 97 and name C ) (resid 98 and name N ) (resid 98 and name CA ) (resid 98 and name C ) 1.0 -123.0 44.0 2 assign (resid 98 and name N ) (resid 98 and name CA ) (resid 98 and name C ) (resid 99 and name N ) 1.0 133.0 32.0 2 assign (resid 98 and name C ) (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name C ) 1.0 -112.0 31.0 2 assign (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name C ) (resid 100 and name N ) 1.0 141.0 20.0 2 assign (resid 99 and name C ) (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name C ) 1.0 -122.0 43.0 2 assign (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name C ) (resid 101 and name N ) 1.0 131.0 42.0 2 assign (resid 100 and name C ) (resid 101 and name N ) (resid 101 and name CA ) (resid 101 and name C ) 1.0 -96.0 33.0 2 assign (resid 101 and name N ) (resid 101 and name CA ) (resid 101 and name C ) (resid 102 and name N ) 1.0 129.0 28.0 2 assign (resid 101 and name C ) (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name C ) 1.0 -110.0 49.0 2 assign (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name C ) (resid 103 and name N ) 1.0 123.0 26.0 2 assign (resid 102 and name C ) (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name C ) 1.0 -116.0 21.0 2 assign (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name C ) (resid 104 and name N ) 1.0 125.0 20.0 2 assign (resid 105 and name C ) (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name C ) 1.0 -132.0 35.0 2 assign (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name C ) (resid 107 and name N ) 1.0 155.0 20.0 2 assign (resid 108 and name C ) (resid 109 and name N ) (resid 109 and name CA ) (resid 109 and name C ) 1.0 -60.0 15.0 2 assign (resid 109 and name N ) (resid 109 and name CA ) (resid 109 and name C ) (resid 110 and name N ) 1.0 -42.0 31.0 2 assign (resid 109 and name C ) (resid 110 and name N ) (resid 110 and name CA ) (resid 110 and name C ) 1.0 -62.0 13.0 2 assign (resid 110 and name N ) (resid 110 and name CA ) (resid 110 and name C ) (resid 111 and name N ) 1.0 -36.0 13.0 2 assign (resid 110 and name C ) (resid 111 and name N ) (resid 111 and name CA ) (resid 111 and name C ) 1.0 -62.0 15.0 2 assign (resid 111 and name N ) (resid 111 and name CA ) (resid 111 and name C ) (resid 112 and name N ) 1.0 -40.0 19.0 2 assign (resid 111 and name C ) (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name C ) 1.0 -70.0 15.0 2 assign (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name C ) (resid 113 and name N ) 1.0 -42.0 13.0 2 assign (resid 112 and name C ) (resid 113 and name N ) (resid 113 and name CA ) (resid 113 and name C ) 1.0 -60.0 11.0 2 assign (resid 113 and name N ) (resid 113 and name CA ) (resid 113 and name C ) (resid 114 and name N ) 1.0 -50.0 21.0 2 assign (resid 113 and name C ) (resid 114 and name N ) (resid 114 and name CA ) (resid 114 and name C ) 1.0 -62.0 11.0 2 assign (resid 114 and name N ) (resid 114 and name CA ) (resid 114 and name C ) (resid 115 and name N ) 1.0 -38.0 15.0 2 assign (resid 114 and name C ) (resid 115 and name N ) (resid 115 and name CA ) (resid 115 and name C ) 1.0 -70.0 25.0 2 assign (resid 115 and name N ) (resid 115 and name CA ) (resid 115 and name C ) (resid 116 and name N ) 1.0 -37.0 16.0 2 assign (resid 115 and name C ) (resid 116 and name N ) (resid 116 and name CA ) (resid 116 and name C ) 1.0 -63.0 12.0 2 assign (resid 116 and name N ) (resid 116 and name CA ) (resid 116 and name C ) (resid 117 and name N ) 1.0 -43.0 14.0 2 assign (resid 116 and name C ) (resid 117 and name N ) (resid 117 and name CA ) (resid 117 and name C ) 1.0 -62.0 11.0 2 assign (resid 117 and name N ) (resid 117 and name CA ) (resid 117 and name C ) (resid 118 and name N ) 1.0 -40.0 11.0 2 assign (resid 117 and name C ) (resid 118 and name N ) (resid 118 and name CA ) (resid 118 and name C ) 1.0 -66.0 11.0 2 assign (resid 118 and name N ) (resid 118 and name CA ) (resid 118 and name C ) (resid 119 and name N ) 1.0 -42.0 19.0 2 assign (resid 118 and name C ) (resid 119 and name N ) (resid 119 and name CA ) (resid 119 and name C ) 1.0 -62.0 13.0 2 assign (resid 119 and name N ) (resid 119 and name CA ) (resid 119 and name C ) (resid 120 and name N ) 1.0 -42.0 11.0 2 assign (resid 119 and name C ) (resid 120 and name N ) (resid 120 and name CA ) (resid 120 and name C ) 1.0 -64.0 11.0 2 assign (resid 120 and name N ) (resid 120 and name CA ) (resid 120 and name C ) (resid 121 and name N ) 1.0 -42.0 11.0 2 assign (resid 120 and name C ) (resid 121 and name N ) (resid 121 and name CA ) (resid 121 and name C ) 1.0 -60.0 11.0 2 assign (resid 121 and name N ) (resid 121 and name CA ) (resid 121 and name C ) (resid 122 and name N ) 1.0 -38.0 19.0 2 assign (resid 121 and name C ) (resid 122 and name N ) (resid 122 and name CA ) (resid 122 and name C ) 1.0 -65.0 16.0 2 assign (resid 122 and name N ) (resid 122 and name CA ) (resid 122 and name C ) (resid 123 and name N ) 1.0 -35.0 22.0 2 assign (resid 122 and name C ) (resid 123 and name N ) (resid 123 and name CA ) (resid 123 and name C ) 1.0 -95.0 34.0 2 assign (resid 123 and name N ) (resid 123 and name CA ) (resid 123 and name C ) (resid 124 and name N ) 1.0 -3.0 34.0 2 assign (resid 123 and name C ) (resid 124 and name N ) (resid 124 and name CA ) (resid 124 and name C ) 1.0 69.0 20.0 2 assign (resid 124 and name N ) (resid 124 and name CA ) (resid 124 and name C ) (resid 125 and name N ) 1.0 27.0 36.0 2 assign (resid 124 and name C ) (resid 125 and name N ) (resid 125 and name CA ) (resid 125 and name C ) 1.0 -132.0 45.0 2 assign (resid 125 and name N ) (resid 125 and name CA ) (resid 125 and name C ) (resid 126 and name N ) 1.0 157.0 20.0 2 assign (resid 125 and name C ) (resid 126 and name N ) (resid 126 and name CA ) (resid 126 and name C ) 1.0 -126.0 43.0 2 assign (resid 126 and name N ) (resid 126 and name CA ) (resid 126 and name C ) (resid 127 and name N ) 1.0 153.0 26.0 2 assign (resid 126 and name C ) (resid 127 and name N ) (resid 127 and name CA ) (resid 127 and name C ) 1.0 -95.0 50.0 2 assign (resid 127 and name N ) (resid 127 and name CA ) (resid 127 and name C ) (resid 128 and name N ) 1.0 142.0 25.0 2 assign (resid 129 and name C ) (resid 130 and name N ) (resid 130 and name CA ) (resid 130 and name C ) 1.0 -117.0 36.0 2 assign (resid 130 and name N ) (resid 130 and name CA ) (resid 130 and name C ) (resid 131 and name N ) 1.0 136.0 33.0 2 assign (resid 130 and name C ) (resid 131 and name N ) (resid 131 and name CA ) (resid 131 and name C ) 1.0 -121.0 32.0 2 assign (resid 131 and name N ) (resid 131 and name CA ) (resid 131 and name C ) (resid 132 and name N ) 1.0 132.0 21.0 2 assign (resid 131 and name C ) (resid 132 and name N ) (resid 132 and name CA ) (resid 132 and name C ) 1.0 -117.0 26.0 2 assign (resid 132 and name N ) (resid 132 and name CA ) (resid 132 and name C ) (resid 133 and name N ) 1.0 131.0 18.0 2 assign (resid 132 and name C ) (resid 133 and name N ) (resid 133 and name CA ) (resid 133 and name C ) 1.0 -122.0 41.0 2 assign (resid 133 and name N ) (resid 133 and name CA ) (resid 133 and name C ) (resid 134 and name N ) 1.0 143.0 24.0 2 assign (resid 133 and name C ) (resid 134 and name N ) (resid 134 and name CA ) (resid 134 and name C ) 1.0 -127.0 44.0 2 assign (resid 134 and name N ) (resid 134 and name CA ) (resid 134 and name C ) (resid 135 and name N ) 1.0 141.0 32.0 2 assign (resid 147 and name C ) (resid 148 and name N ) (resid 148 and name CA ) (resid 148 and name C ) 1.0 -118.0 39.0 2 assign (resid 148 and name N ) (resid 148 and name CA ) (resid 148 and name C ) (resid 149 and name N ) 1.0 134.0 29.0 2 assign (resid 148 and name C ) (resid 149 and name N ) (resid 149 and name CA ) (resid 149 and name C ) 1.0 -125.0 24.0 2 assign (resid 149 and name N ) (resid 149 and name CA ) (resid 149 and name C ) (resid 150 and name N ) 1.0 139.0 48.0 2 assign (resid 149 and name C ) (resid 150 and name N ) (resid 150 and name CA ) (resid 150 and name C ) 1.0 -100.0 33.0 2 assign (resid 150 and name N ) (resid 150 and name CA ) (resid 150 and name C ) (resid 151 and name N ) 1.0 118.0 27.0 2 assign (resid 150 and name C ) (resid 151 and name N ) (resid 151 and name CA ) (resid 151 and name C ) 1.0 -107.0 16.0 2 assign (resid 151 and name N ) (resid 151 and name CA ) (resid 151 and name C ) (resid 152 and name N ) 1.0 132.0 17.0 2 assign (resid 151 and name C ) (resid 152 and name N ) (resid 152 and name CA ) (resid 152 and name C ) 1.0 -134.0 29.0 2 assign (resid 152 and name N ) (resid 152 and name CA ) (resid 152 and name C ) (resid 153 and name N ) 1.0 154.0 33.0 2 assign (resid 152 and name C ) (resid 153 and name N ) (resid 153 and name CA ) (resid 153 and name C ) 1.0 -122.0 57.0 2 assign (resid 153 and name N ) (resid 153 and name CA ) (resid 153 and name C ) (resid 154 and name N ) 1.0 128.0 67.0 2 assign (resid 1 and name N ) (resid 1 and name CA ) (resid 1 and name CB ) (resid 1 and name CG ) 1.0 180.0 155.0 2 assign (resid 1 and name N ) (resid 1 and name CA ) (resid 1 and name CB ) (resid 1 and name CG ) 1.0 -55.0 150.0 2 assign (resid 1 and name CA ) (resid 1 and name CB ) (resid 1 and name CG ) (resid 1 and name SD ) 1.0 180.0 135.0 2 assign (resid 1 and name N ) (resid 1 and name CA ) (resid 1 and name C ) (resid 2 and name N ) 1.0 55.0 140.0 2 assign (resid 1 and name C ) (resid 2 and name N ) (resid 2 and name CA ) (resid 2 and name C ) 1.0 180.0 135.0 2 assign (resid 1 and name C ) (resid 2 and name N ) (resid 2 and name CA ) (resid 2 and name C ) 1.0 -55.0 130.0 2 assign (resid 2 and name N ) (resid 2 and name CA ) (resid 2 and name CB ) (resid 2 and name CG ) 1.0 -55.0 170.0 2 assign (resid 2 and name N ) (resid 2 and name CA ) (resid 2 and name C ) (resid 3 and name N ) 1.0 60.0 145.0 2 assign (resid 2 and name C ) (resid 3 and name N ) (resid 3 and name CA ) (resid 3 and name C ) 1.0 180.0 135.0 2 assign (resid 2 and name C ) (resid 3 and name N ) (resid 3 and name CA ) (resid 3 and name C ) 1.0 -55.0 130.0 2 assign (resid 3 and name N ) (resid 3 and name CA ) (resid 3 and name CB ) (resid 3 and name CG ) 1.0 180.0 155.0 2 assign (resid 3 and name N ) (resid 3 and name CA ) (resid 3 and name CB ) (resid 3 and name CG ) 1.0 -55.0 150.0 2 assign (resid 3 and name CA ) (resid 3 and name CB ) (resid 3 and name CG ) (resid 3 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 3 and name CA ) (resid 3 and name CB ) (resid 3 and name CG ) (resid 3 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 3 and name N ) (resid 3 and name CA ) (resid 3 and name C ) (resid 4 and name N ) 1.0 55.0 140.0 2 assign (resid 3 and name C ) (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name C ) 1.0 180.0 135.0 2 assign (resid 3 and name C ) (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name C ) 1.0 -55.0 130.0 2 assign (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name CB ) (resid 4 and name CG ) 1.0 180.0 155.0 2 assign (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name CB ) (resid 4 and name CG ) 1.0 -55.0 150.0 2 assign (resid 4 and name CA ) (resid 4 and name CB ) (resid 4 and name CG ) (resid 4 and name CD ) 1.0 180.0 165.0 2 assign (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name C ) (resid 5 and name N ) 1.0 55.0 140.0 2 assign (resid 4 and name C ) (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) 1.0 180.0 135.0 2 assign (resid 4 and name C ) (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) 1.0 -55.0 130.0 2 assign (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name CB ) (resid 5 and name SG ) 1.0 180.0 155.0 2 assign (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name CB ) (resid 5 and name SG ) 1.0 -60.0 145.0 2 assign (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) (resid 6 and name N ) 1.0 55.0 140.0 2 assign (resid 5 and name C ) (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) 1.0 180.0 135.0 2 assign (resid 5 and name C ) (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) 1.0 -55.0 130.0 2 assign (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name CB ) (resid 6 and name CG ) 1.0 180.0 155.0 2 assign (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name CB ) (resid 6 and name CG ) 1.0 -55.0 150.0 2 assign (resid 6 and name CA ) (resid 6 and name CB ) (resid 6 and name CG ) (resid 6 and name CD ) 1.0 180.0 165.0 2 assign (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) (resid 7 and name N ) 1.0 -5.0 170.0 2 assign (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) (resid 7 and name N ) 1.0 95.0 100.0 2 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) 1.0 180.0 135.0 2 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) 1.0 -55.0 130.0 2 assign (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name CB ) (resid 7 and name CG ) 1.0 180.0 155.0 2 assign (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name CB ) (resid 7 and name CG ) 1.0 -55.0 150.0 2 assign (resid 7 and name CA ) (resid 7 and name CB ) (resid 7 and name CG ) (resid 7 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 7 and name CA ) (resid 7 and name CB ) (resid 7 and name CG ) (resid 7 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) (resid 8 and name N ) 1.0 100.0 95.0 2 assign (resid 8 and name N ) (resid 8 and name CA ) (resid 8 and name CB ) (resid 8 and name CG1 ) 1.0 125.0 80.0 2 assign (resid 8 and name N ) (resid 8 and name CA ) (resid 8 and name CB ) (resid 8 and name CG1 ) 1.0 -55.0 140.0 2 assign (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name CB ) (resid 9 and name SG ) 1.0 180.0 155.0 2 assign (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name CB ) (resid 9 and name SG ) 1.0 -60.0 145.0 2 assign (resid 9 and name C ) (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) 1.0 180.0 135.0 2 assign (resid 9 and name C ) (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) 1.0 -55.0 130.0 2 assign (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name CB ) (resid 10 and name CG ) 1.0 180.0 155.0 2 assign (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name CB ) (resid 10 and name CG ) 1.0 -55.0 150.0 2 assign (resid 10 and name CA ) (resid 10 and name CB ) (resid 10 and name CG ) (resid 10 and name CD ) 1.0 180.0 165.0 2 assign (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) (resid 11 and name N ) 1.0 -120.0 135.0 2 assign (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) (resid 11 and name N ) 1.0 85.0 110.0 2 assign (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name CB ) (resid 11 and name CG ) 1.0 175.0 160.0 2 assign (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name CB ) (resid 11 and name CG ) 1.0 -80.0 135.0 2 assign (resid 11 and name CA ) (resid 11 and name CB ) (resid 11 and name CG ) (resid 11 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 11 and name CA ) (resid 11 and name CB ) (resid 11 and name CG ) (resid 11 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name CB ) (resid 12 and name CG ) 1.0 180.0 155.0 2 assign (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name CB ) (resid 12 and name CG ) 1.0 -55.0 150.0 2 assign (resid 12 and name CA ) (resid 12 and name CB ) (resid 12 and name CG ) (resid 12 and name CD ) 1.0 180.0 145.0 2 assign (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name CB ) (resid 13 and name CG ) 1.0 180.0 155.0 2 assign (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name CB ) (resid 13 and name CG ) 1.0 -55.0 150.0 2 assign (resid 13 and name CA ) (resid 13 and name CB ) (resid 13 and name CG ) (resid 13 and name CD ) 1.0 180.0 165.0 2 assign (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name CB ) (resid 14 and name CG ) 1.0 180.0 175.0 2 assign (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name CB ) (resid 14 and name CG ) 1.0 -55.0 160.0 2 assign (resid 14 and name CA ) (resid 14 and name CB ) (resid 14 and name CG ) (resid 14 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 14 and name CA ) (resid 14 and name CB ) (resid 14 and name CG ) (resid 14 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) (resid 16 and name N ) 1.0 -65.0 150.0 2 assign (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) (resid 17 and name N ) 1.0 130.0 65.0 2 assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) 1.0 180.0 135.0 2 assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) 1.0 -55.0 130.0 2 assign (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name CB ) (resid 17 and name CG1 ) 1.0 175.0 130.0 2 assign (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name CB ) (resid 17 and name CG1 ) 1.0 -65.0 120.0 2 assign (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name CB ) (resid 17 and name CG1 ) 1.0 55.0 150.0 2 assign (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) (resid 18 and name N ) 1.0 110.0 55.0 2 assign (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) (resid 18 and name N ) 1.0 -65.0 150.0 2 assign (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) (resid 19 and name N ) 1.0 140.0 55.0 2 assign (resid 20 and name N ) (resid 20 and name CA ) (resid 20 and name CB ) (resid 20 and name CG ) 1.0 180.0 175.0 2 assign (resid 20 and name N ) (resid 20 and name CA ) (resid 20 and name CB ) (resid 20 and name CG ) 1.0 -55.0 160.0 2 assign (resid 20 and name CA ) (resid 20 and name CB ) (resid 20 and name CG ) (resid 20 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 20 and name CA ) (resid 20 and name CB ) (resid 20 and name CG ) (resid 20 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name CB ) (resid 21 and name CG ) 1.0 180.0 175.0 2 assign (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name CB ) (resid 21 and name CG ) 1.0 -55.0 160.0 2 assign (resid 21 and name CA ) (resid 21 and name CB ) (resid 21 and name CG ) (resid 21 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 21 and name CA ) (resid 21 and name CB ) (resid 21 and name CG ) (resid 21 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name CB ) (resid 22 and name CG1 ) 1.0 180.0 155.0 2 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name CB ) (resid 22 and name CG1 ) 1.0 -55.0 140.0 2 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name CB ) (resid 22 and name CG1 ) 1.0 65.0 140.0 2 assign (resid 22 and name CA ) (resid 22 and name CB ) (resid 22 and name CG1 ) (resid 22 and name CD1 ) 1.0 180.0 135.0 2 assign (resid 22 and name CA ) (resid 22 and name CB ) (resid 22 and name CG1 ) (resid 22 and name CD1 ) 1.0 55.0 140.0 2 assign (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name CB ) (resid 23 and name CG ) 1.0 180.0 155.0 2 assign (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name CB ) (resid 23 and name CG ) 1.0 -55.0 150.0 2 assign (resid 23 and name CA ) (resid 23 and name CB ) (resid 23 and name CG ) (resid 23 and name CD ) 1.0 180.0 145.0 2 assign (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name CB ) (resid 24 and name OG1 ) 1.0 -60.0 155.0 2 assign (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name CB ) (resid 24 and name OG1 ) 1.0 65.0 140.0 2 assign (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name CB ) (resid 25 and name CG ) 1.0 180.0 155.0 2 assign (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name CB ) (resid 25 and name CG ) 1.0 -55.0 150.0 2 assign (resid 25 and name CA ) (resid 25 and name CB ) (resid 25 and name CG ) (resid 25 and name CD ) 1.0 180.0 165.0 2 assign (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name CB ) (resid 26 and name OG1 ) 1.0 -60.0 155.0 2 assign (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name CB ) (resid 26 and name OG1 ) 1.0 65.0 140.0 2 assign (resid 27 and name C ) (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) 1.0 180.0 135.0 2 assign (resid 27 and name C ) (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) 1.0 -55.0 130.0 2 assign (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name CB ) (resid 28 and name CG ) 1.0 180.0 155.0 2 assign (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name CB ) (resid 28 and name CG ) 1.0 -55.0 150.0 2 assign (resid 28 and name CA ) (resid 28 and name CB ) (resid 28 and name CG ) (resid 28 and name SD ) 1.0 180.0 135.0 2 assign (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) (resid 29 and name N ) 1.0 55.0 140.0 2 assign (resid 28 and name C ) (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) 1.0 180.0 135.0 2 assign (resid 28 and name C ) (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) 1.0 -55.0 130.0 2 assign (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) (resid 30 and name N ) 1.0 25.0 110.0 2 assign (resid 29 and name C ) (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) 1.0 180.0 135.0 2 assign (resid 29 and name C ) (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) 1.0 -55.0 130.0 2 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name CB ) (resid 30 and name CG ) 1.0 180.0 155.0 2 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name CB ) (resid 30 and name CG ) 1.0 -55.0 150.0 2 assign (resid 30 and name CA ) (resid 30 and name CB ) (resid 30 and name CG ) (resid 30 and name CD ) 1.0 180.0 165.0 2 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) (resid 31 and name N ) 1.0 15.0 100.0 2 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name CB ) (resid 31 and name CG ) 1.0 -175.0 150.0 2 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name CB ) (resid 31 and name CG ) 1.0 -55.0 160.0 2 assign (resid 31 and name CA ) (resid 31 and name CB ) (resid 31 and name CG ) (resid 31 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 31 and name CA ) (resid 31 and name CB ) (resid 31 and name CG ) (resid 31 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 31 and name C ) (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) 1.0 180.0 135.0 2 assign (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) (resid 33 and name N ) 1.0 0.0 125.0 2 assign (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name CB ) (resid 34 and name CG ) 1.0 -175.0 150.0 2 assign (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name CB ) (resid 34 and name CG ) 1.0 -60.0 155.0 2 assign (resid 34 and name CA ) (resid 34 and name CB ) (resid 34 and name CG ) (resid 34 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 34 and name CA ) (resid 34 and name CB ) (resid 34 and name CG ) (resid 34 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name CB ) (resid 35 and name CG ) 1.0 -175.0 150.0 2 assign (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name CB ) (resid 35 and name CG ) 1.0 -55.0 150.0 2 assign (resid 35 and name CA ) (resid 35 and name CB ) (resid 35 and name CG ) (resid 35 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 35 and name CA ) (resid 35 and name CB ) (resid 35 and name CG ) (resid 35 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name CB ) (resid 36 and name CG ) 1.0 180.0 145.0 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name CB ) (resid 36 and name CG ) 1.0 -105.0 170.0 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name CB ) (resid 36 and name CG ) 1.0 -55.0 150.0 2 assign (resid 36 and name CA ) (resid 36 and name CB ) (resid 36 and name CG ) (resid 36 and name CD ) 1.0 180.0 165.0 2 assign (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name CB ) (resid 39 and name CG ) 1.0 -175.0 150.0 2 assign (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name CB ) (resid 39 and name CG ) 1.0 -55.0 150.0 2 assign (resid 39 and name CA ) (resid 39 and name CB ) (resid 39 and name CG ) (resid 39 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 39 and name CA ) (resid 39 and name CB ) (resid 39 and name CG ) (resid 39 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name CB ) (resid 40 and name CG ) 1.0 180.0 145.0 2 assign (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name CB ) (resid 40 and name CG ) 1.0 -60.0 145.0 2 assign (resid 40 and name C ) (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) 1.0 180.0 135.0 2 assign (resid 40 and name C ) (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) 1.0 -55.0 130.0 2 assign (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name CB ) (resid 41 and name CG ) 1.0 -55.0 170.0 2 assign (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) (resid 42 and name N ) 1.0 60.0 145.0 2 assign (resid 41 and name C ) (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) 1.0 180.0 135.0 2 assign (resid 41 and name C ) (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) 1.0 -55.0 130.0 2 assign (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name CB ) (resid 42 and name CG1 ) 1.0 180.0 155.0 2 assign (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name CB ) (resid 42 and name CG1 ) 1.0 -55.0 140.0 2 assign (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name CB ) (resid 42 and name CG1 ) 1.0 65.0 140.0 2 assign (resid 42 and name CA ) (resid 42 and name CB ) (resid 42 and name CG1 ) (resid 42 and name CD1 ) 1.0 180.0 135.0 2 assign (resid 42 and name CA ) (resid 42 and name CB ) (resid 42 and name CG1 ) (resid 42 and name CD1 ) 1.0 55.0 140.0 2 assign (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) (resid 43 and name N ) 1.0 55.0 140.0 2 assign (resid 42 and name C ) (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) 1.0 180.0 135.0 2 assign (resid 42 and name C ) (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) 1.0 -55.0 130.0 2 assign (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name CB ) (resid 43 and name CG ) 1.0 180.0 175.0 2 assign (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name CB ) (resid 43 and name CG ) 1.0 -55.0 160.0 2 assign (resid 43 and name CA ) (resid 43 and name CB ) (resid 43 and name CG ) (resid 43 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 43 and name CA ) (resid 43 and name CB ) (resid 43 and name CG ) (resid 43 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) (resid 44 and name N ) 1.0 60.0 145.0 2 assign (resid 43 and name C ) (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) 1.0 180.0 135.0 2 assign (resid 43 and name C ) (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) 1.0 -55.0 130.0 2 assign (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name CB ) (resid 44 and name CG ) 1.0 180.0 155.0 2 assign (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name CB ) (resid 44 and name CG ) 1.0 -55.0 150.0 2 assign (resid 44 and name CA ) (resid 44 and name CB ) (resid 44 and name CG ) (resid 44 and name CD ) 1.0 180.0 165.0 2 assign (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) (resid 45 and name N ) 1.0 15.0 100.0 2 assign (resid 44 and name C ) (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) 1.0 180.0 135.0 2 assign (resid 44 and name C ) (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) 1.0 -55.0 130.0 2 assign (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name CB ) (resid 45 and name CG ) 1.0 180.0 175.0 2 assign (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name CB ) (resid 45 and name CG ) 1.0 -55.0 160.0 2 assign (resid 45 and name CA ) (resid 45 and name CB ) (resid 45 and name CG ) (resid 45 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 45 and name CA ) (resid 45 and name CB ) (resid 45 and name CG ) (resid 45 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) (resid 46 and name N ) 1.0 20.0 105.0 2 assign (resid 45 and name C ) (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) 1.0 -115.0 70.0 2 assign (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name CB ) (resid 46 and name CG ) 1.0 -90.0 85.0 2 assign (resid 46 and name CA ) (resid 46 and name CB ) (resid 46 and name CG ) (resid 46 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 46 and name CA ) (resid 46 and name CB ) (resid 46 and name CG ) (resid 46 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) (resid 47 and name N ) 1.0 -45.0 40.0 2 assign (resid 46 and name C ) (resid 47 and name N ) (resid 47 and name CA ) (resid 47 and name C ) 1.0 180.0 135.0 2 assign (resid 46 and name C ) (resid 47 and name N ) (resid 47 and name CA ) (resid 47 and name C ) 1.0 -55.0 130.0 2 assign (resid 47 and name N ) (resid 47 and name CA ) (resid 47 and name C ) (resid 48 and name N ) 1.0 10.0 95.0 2 assign (resid 47 and name C ) (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) 1.0 180.0 135.0 2 assign (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) (resid 49 and name N ) 1.0 0.0 115.0 2 assign (resid 48 and name C ) (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) 1.0 180.0 135.0 2 assign (resid 48 and name C ) (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) 1.0 -55.0 130.0 2 assign (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name CB ) (resid 49 and name CG ) 1.0 180.0 155.0 2 assign (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name CB ) (resid 49 and name CG ) 1.0 -55.0 150.0 2 assign (resid 49 and name CA ) (resid 49 and name CB ) (resid 49 and name CG ) (resid 49 and name CD ) 1.0 180.0 165.0 2 assign (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) (resid 50 and name N ) 1.0 0.0 85.0 2 assign (resid 49 and name C ) (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) 1.0 180.0 135.0 2 assign (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) (resid 51 and name N ) 1.0 0.0 125.0 2 assign (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name CB ) (resid 51 and name CG ) 1.0 180.0 155.0 2 assign (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name CB ) (resid 51 and name CG ) 1.0 -30.0 125.0 2 assign (resid 51 and name CA ) (resid 51 and name CB ) (resid 51 and name CG ) (resid 51 and name CD ) 1.0 180.0 145.0 2 assign (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) (resid 53 and name N ) 1.0 -65.0 150.0 2 assign (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) (resid 54 and name N ) 1.0 160.0 35.0 2 assign (resid 53 and name C ) (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) 1.0 180.0 135.0 2 assign (resid 53 and name C ) (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) 1.0 -55.0 130.0 2 assign (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) (resid 55 and name N ) 1.0 10.0 95.0 2 assign (resid 54 and name C ) (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) 1.0 180.0 135.0 2 assign (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) (resid 56 and name N ) 1.0 175.0 120.0 2 assign (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) (resid 56 and name N ) 1.0 -60.0 145.0 2 assign (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) (resid 56 and name N ) 1.0 55.0 150.0 2 assign (resid 56 and name N ) (resid 56 and name CA ) (resid 56 and name C ) (resid 57 and name N ) 1.0 165.0 10.0 2 assign (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) (resid 58 and name N ) 1.0 -150.0 145.0 2 assign (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) (resid 58 and name N ) 1.0 80.0 115.0 2 assign (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name CB ) (resid 58 and name CG ) 1.0 180.0 155.0 2 assign (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name CB ) (resid 58 and name CG ) 1.0 -55.0 150.0 2 assign (resid 58 and name CA ) (resid 58 and name CB ) (resid 58 and name CG ) (resid 58 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 58 and name CA ) (resid 58 and name CB ) (resid 58 and name CG ) (resid 58 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name CB ) (resid 60 and name CG ) 1.0 180.0 155.0 2 assign (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name CB ) (resid 60 and name CG ) 1.0 -55.0 150.0 2 assign (resid 60 and name CA ) (resid 60 and name CB ) (resid 60 and name CG ) (resid 60 and name CD ) 1.0 180.0 145.0 2 assign (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name CB ) (resid 61 and name CG ) 1.0 180.0 155.0 2 assign (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name CB ) (resid 61 and name CG ) 1.0 -55.0 150.0 2 assign (resid 61 and name CA ) (resid 61 and name CB ) (resid 61 and name CG ) (resid 61 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 61 and name CA ) (resid 61 and name CB ) (resid 61 and name CG ) (resid 61 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name CB ) (resid 62 and name CG ) 1.0 180.0 155.0 2 assign (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name CB ) (resid 62 and name CG ) 1.0 -55.0 150.0 2 assign (resid 62 and name CA ) (resid 62 and name CB ) (resid 62 and name CG ) (resid 62 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 62 and name CA ) (resid 62 and name CB ) (resid 62 and name CG ) (resid 62 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 62 and name C ) (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name C ) 1.0 180.0 135.0 2 assign (resid 63 and name C ) (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) 1.0 180.0 135.0 2 assign (resid 63 and name C ) (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) 1.0 -55.0 130.0 2 assign (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name CB ) (resid 64 and name CG ) 1.0 180.0 155.0 2 assign (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name CB ) (resid 64 and name CG ) 1.0 -55.0 150.0 2 assign (resid 64 and name CA ) (resid 64 and name CB ) (resid 64 and name CG ) (resid 64 and name SD ) 1.0 180.0 135.0 2 assign (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) (resid 65 and name N ) 1.0 55.0 140.0 2 assign (resid 64 and name C ) (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) 1.0 180.0 135.0 2 assign (resid 64 and name C ) (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) 1.0 -55.0 130.0 2 assign (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) (resid 66 and name N ) 1.0 60.0 145.0 2 assign (resid 65 and name C ) (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) 1.0 180.0 135.0 2 assign (resid 65 and name C ) (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) 1.0 -55.0 130.0 2 assign (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) (resid 67 and name N ) 1.0 60.0 145.0 2 assign (resid 66 and name C ) (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) 1.0 180.0 135.0 2 assign (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) (resid 68 and name N ) 1.0 0.0 145.0 2 assign (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name CB ) (resid 68 and name OG1 ) 1.0 -65.0 150.0 2 assign (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name CB ) (resid 68 and name OG1 ) 1.0 65.0 140.0 2 assign (resid 69 and name N ) (resid 69 and name CA ) (resid 69 and name CB ) (resid 69 and name CG ) 1.0 180.0 155.0 2 assign (resid 69 and name N ) (resid 69 and name CA ) (resid 69 and name CB ) (resid 69 and name CG ) 1.0 -55.0 150.0 2 assign (resid 69 and name CA ) (resid 69 and name CB ) (resid 69 and name CG ) (resid 69 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 69 and name CA ) (resid 69 and name CB ) (resid 69 and name CG ) (resid 69 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name CB ) (resid 70 and name CG ) 1.0 180.0 155.0 2 assign (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name CB ) (resid 70 and name CG ) 1.0 -55.0 150.0 2 assign (resid 70 and name CA ) (resid 70 and name CB ) (resid 70 and name CG ) (resid 70 and name CD ) 1.0 180.0 165.0 2 assign (resid 71 and name N ) (resid 71 and name CA ) (resid 71 and name CB ) (resid 71 and name CG1 ) 1.0 -110.0 65.0 2 assign (resid 71 and name N ) (resid 71 and name CA ) (resid 71 and name CB ) (resid 71 and name CG1 ) 1.0 55.0 150.0 2 assign (resid 71 and name C ) (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name C ) 1.0 180.0 135.0 2 assign (resid 71 and name C ) (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name C ) 1.0 -55.0 130.0 2 assign (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name CB ) (resid 72 and name CG ) 1.0 180.0 155.0 2 assign (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name CB ) (resid 72 and name CG ) 1.0 -55.0 150.0 2 assign (resid 72 and name CA ) (resid 72 and name CB ) (resid 72 and name CG ) (resid 72 and name CD ) 1.0 180.0 165.0 2 assign (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name C ) (resid 73 and name N ) 1.0 55.0 140.0 2 assign (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name CB ) (resid 73 and name CG ) 1.0 180.0 145.0 2 assign (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name CB ) (resid 73 and name CG ) 1.0 -55.0 150.0 2 assign (resid 73 and name CA ) (resid 73 and name CB ) (resid 73 and name CG ) (resid 73 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 73 and name CA ) (resid 73 and name CB ) (resid 73 and name CG ) (resid 73 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 73 and name C ) (resid 74 and name N ) (resid 74 and name CA ) (resid 74 and name C ) 1.0 180.0 135.0 2 assign (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name CB ) (resid 75 and name CG ) 1.0 175.0 150.0 2 assign (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name CB ) (resid 75 and name CG ) 1.0 -20.0 95.0 2 assign (resid 75 and name CA ) (resid 75 and name CB ) (resid 75 and name CG ) (resid 75 and name CD1 ) 1.0 175.0 150.0 2 assign (resid 75 and name CA ) (resid 75 and name CB ) (resid 75 and name CG ) (resid 75 and name CD1 ) 1.0 -5.0 150.0 2 assign (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name C ) (resid 77 and name N ) 1.0 130.0 65.0 2 assign (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name CB ) (resid 77 and name CG1 ) 1.0 -105.0 60.0 2 assign (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name CB ) (resid 77 and name CG1 ) 1.0 55.0 150.0 2 assign (resid 77 and name C ) (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) 1.0 180.0 135.0 2 assign (resid 77 and name C ) (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) 1.0 -55.0 130.0 2 assign (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name CB ) (resid 78 and name CG ) 1.0 180.0 155.0 2 assign (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name CB ) (resid 78 and name CG ) 1.0 -55.0 150.0 2 assign (resid 78 and name CA ) (resid 78 and name CB ) (resid 78 and name CG ) (resid 78 and name CD ) 1.0 180.0 165.0 2 assign (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) (resid 79 and name N ) 1.0 -120.0 165.0 2 assign (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) (resid 79 and name N ) 1.0 20.0 105.0 2 assign (resid 78 and name C ) (resid 79 and name N ) (resid 79 and name CA ) (resid 79 and name C ) 1.0 180.0 135.0 2 assign (resid 79 and name C ) (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) 1.0 180.0 135.0 2 assign (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) (resid 81 and name N ) 1.0 0.0 135.0 2 assign (resid 80 and name C ) (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) 1.0 -100.0 55.0 2 assign (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name CB ) (resid 81 and name CG1 ) 1.0 -165.0 10.0 2 assign (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) (resid 82 and name N ) 1.0 155.0 10.0 2 assign (resid 81 and name C ) (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) 1.0 180.0 135.0 2 assign (resid 81 and name C ) (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) 1.0 -55.0 130.0 2 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name CB ) (resid 82 and name CG ) 1.0 180.0 155.0 2 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name CB ) (resid 82 and name CG ) 1.0 -55.0 150.0 2 assign (resid 82 and name CA ) (resid 82 and name CB ) (resid 82 and name CG ) (resid 82 and name CD ) 1.0 180.0 165.0 2 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) (resid 83 and name N ) 1.0 110.0 95.0 2 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) (resid 83 and name N ) 1.0 -120.0 165.0 2 assign (resid 82 and name C ) (resid 83 and name N ) (resid 83 and name CA ) (resid 83 and name C ) 1.0 180.0 135.0 2 assign (resid 83 and name C ) (resid 84 and name N ) (resid 84 and name CA ) (resid 84 and name C ) 1.0 180.0 135.0 2 assign (resid 83 and name C ) (resid 84 and name N ) (resid 84 and name CA ) (resid 84 and name C ) 1.0 -55.0 130.0 2 assign (resid 84 and name N ) (resid 84 and name CA ) (resid 84 and name C ) (resid 85 and name N ) 1.0 60.0 145.0 2 assign (resid 84 and name C ) (resid 85 and name N ) (resid 85 and name CA ) (resid 85 and name C ) 1.0 180.0 135.0 2 assign (resid 85 and name C ) (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name C ) 1.0 180.0 135.0 2 assign (resid 85 and name C ) (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name C ) 1.0 -55.0 130.0 2 assign (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name CB ) (resid 86 and name CG ) 1.0 180.0 155.0 2 assign (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name CB ) (resid 86 and name CG ) 1.0 -55.0 150.0 2 assign (resid 86 and name CA ) (resid 86 and name CB ) (resid 86 and name CG ) (resid 86 and name CD ) 1.0 180.0 145.0 2 assign (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name C ) (resid 87 and name N ) 1.0 35.0 120.0 2 assign (resid 86 and name C ) (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name C ) 1.0 180.0 135.0 2 assign (resid 86 and name C ) (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name C ) 1.0 -55.0 120.0 2 assign (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name CB ) (resid 87 and name CG1 ) 1.0 125.0 80.0 2 assign (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name CB ) (resid 87 and name CG1 ) 1.0 -55.0 140.0 2 assign (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name C ) (resid 88 and name N ) 1.0 40.0 125.0 2 assign (resid 88 and name N ) (resid 88 and name CA ) (resid 88 and name CB ) (resid 88 and name CG1 ) 1.0 -70.0 25.0 2 assign (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name CB ) (resid 89 and name OG1 ) 1.0 -55.0 150.0 2 assign (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name CB ) (resid 89 and name OG1 ) 1.0 -5.0 170.0 2 assign (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name CB ) (resid 89 and name OG1 ) 1.0 75.0 120.0 2 assign (resid 89 and name C ) (resid 90 and name N ) (resid 90 and name CA ) (resid 90 and name C ) 1.0 180.0 135.0 2 assign (resid 90 and name N ) (resid 90 and name CA ) (resid 90 and name C ) (resid 91 and name N ) 1.0 -125.0 150.0 2 assign (resid 90 and name N ) (resid 90 and name CA ) (resid 90 and name C ) (resid 91 and name N ) 1.0 125.0 150.0 2 assign (resid 91 and name N ) (resid 91 and name CA ) (resid 91 and name CB ) (resid 91 and name CG ) 1.0 180.0 175.0 2 assign (resid 91 and name N ) (resid 91 and name CA ) (resid 91 and name CB ) (resid 91 and name CG ) 1.0 -55.0 160.0 2 assign (resid 91 and name CA ) (resid 91 and name CB ) (resid 91 and name CG ) (resid 91 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 91 and name CA ) (resid 91 and name CB ) (resid 91 and name CG ) (resid 91 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name CB ) (resid 92 and name OG1 ) 1.0 170.0 165.0 2 assign (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name CB ) (resid 92 and name OG1 ) 1.0 -60.0 135.0 2 assign (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name CB ) (resid 92 and name OG1 ) 1.0 55.0 120.0 2 assign (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name C ) (resid 93 and name N ) 1.0 -65.0 150.0 2 assign (resid 93 and name N ) (resid 93 and name CA ) (resid 93 and name C ) (resid 94 and name N ) 1.0 155.0 40.0 2 assign (resid 94 and name C ) (resid 95 and name N ) (resid 95 and name CA ) (resid 95 and name C ) 1.0 180.0 135.0 2 assign (resid 95 and name C ) (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name C ) 1.0 180.0 135.0 2 assign (resid 95 and name C ) (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name C ) 1.0 -55.0 130.0 2 assign (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name CB ) (resid 96 and name CG ) 1.0 180.0 155.0 2 assign (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name CB ) (resid 96 and name CG ) 1.0 -55.0 150.0 2 assign (resid 96 and name CA ) (resid 96 and name CB ) (resid 96 and name CG ) (resid 96 and name CD ) 1.0 180.0 145.0 2 assign (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name C ) (resid 97 and name N ) 1.0 -120.0 145.0 2 assign (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name C ) (resid 97 and name N ) 1.0 85.0 110.0 2 assign (resid 101 and name N ) (resid 101 and name CA ) (resid 101 and name CB ) (resid 101 and name CG ) 1.0 180.0 175.0 2 assign (resid 101 and name N ) (resid 101 and name CA ) (resid 101 and name CB ) (resid 101 and name CG ) 1.0 -55.0 160.0 2 assign (resid 101 and name CA ) (resid 101 and name CB ) (resid 101 and name CG ) (resid 101 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 101 and name CA ) (resid 101 and name CB ) (resid 101 and name CG ) (resid 101 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name CB ) (resid 102 and name CG ) 1.0 180.0 155.0 2 assign (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name CB ) (resid 102 and name CG ) 1.0 -55.0 150.0 2 assign (resid 102 and name CA ) (resid 102 and name CB ) (resid 102 and name CG ) (resid 102 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 102 and name CA ) (resid 102 and name CB ) (resid 102 and name CG ) (resid 102 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name CB ) (resid 103 and name CG1 ) 1.0 180.0 155.0 2 assign (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name CB ) (resid 103 and name CG1 ) 1.0 -60.0 135.0 2 assign (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name CB ) (resid 103 and name CG1 ) 1.0 65.0 140.0 2 assign (resid 103 and name CA ) (resid 103 and name CB ) (resid 103 and name CG1 ) (resid 103 and name CD1 ) 1.0 180.0 135.0 2 assign (resid 103 and name CA ) (resid 103 and name CB ) (resid 103 and name CG1 ) (resid 103 and name CD1 ) 1.0 55.0 140.0 2 assign (resid 103 and name C ) (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) 1.0 180.0 135.0 2 assign (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) (resid 105 and name N ) 1.0 175.0 120.0 2 assign (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) (resid 105 and name N ) 1.0 -60.0 145.0 2 assign (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) (resid 105 and name N ) 1.0 55.0 150.0 2 assign (resid 105 and name N ) (resid 105 and name CA ) (resid 105 and name C ) (resid 106 and name N ) 1.0 -145.0 150.0 2 assign (resid 105 and name N ) (resid 105 and name CA ) (resid 105 and name C ) (resid 106 and name N ) 1.0 70.0 125.0 2 assign (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name CB ) (resid 106 and name CG ) 1.0 180.0 155.0 2 assign (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name CB ) (resid 106 and name CG ) 1.0 -55.0 150.0 2 assign (resid 106 and name CA ) (resid 106 and name CB ) (resid 106 and name CG ) (resid 106 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 106 and name CA ) (resid 106 and name CB ) (resid 106 and name CG ) (resid 106 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 106 and name C ) (resid 107 and name N ) (resid 107 and name CA ) (resid 107 and name C ) 1.0 180.0 135.0 2 assign (resid 107 and name C ) (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name C ) 1.0 180.0 135.0 2 assign (resid 107 and name C ) (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name C ) 1.0 -55.0 130.0 2 assign (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name CB ) (resid 108 and name CG ) 1.0 180.0 155.0 2 assign (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name CB ) (resid 108 and name CG ) 1.0 -55.0 150.0 2 assign (resid 108 and name CA ) (resid 108 and name CB ) (resid 108 and name CG ) (resid 108 and name CD ) 1.0 180.0 165.0 2 assign (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name C ) (resid 109 and name N ) 1.0 55.0 140.0 2 assign (resid 109 and name N ) (resid 109 and name CA ) (resid 109 and name CB ) (resid 109 and name CG1 ) 1.0 -115.0 80.0 2 assign (resid 109 and name N ) (resid 109 and name CA ) (resid 109 and name CB ) (resid 109 and name CG1 ) 1.0 65.0 140.0 2 assign (resid 109 and name CA ) (resid 109 and name CB ) (resid 109 and name CG1 ) (resid 109 and name CD1 ) 1.0 180.0 135.0 2 assign (resid 109 and name CA ) (resid 109 and name CB ) (resid 109 and name CG1 ) (resid 109 and name CD1 ) 1.0 55.0 140.0 2 assign (resid 110 and name N ) (resid 110 and name CA ) (resid 110 and name CB ) (resid 110 and name CG ) 1.0 180.0 145.0 2 assign (resid 110 and name N ) (resid 110 and name CA ) (resid 110 and name CB ) (resid 110 and name CG ) 1.0 -55.0 150.0 2 assign (resid 110 and name CA ) (resid 110 and name CB ) (resid 110 and name CG ) (resid 110 and name CD ) 1.0 180.0 165.0 2 assign (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name CB ) (resid 112 and name CG1 ) 1.0 180.0 135.0 2 assign (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name CB ) (resid 112 and name CG1 ) 1.0 -55.0 140.0 2 assign (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name CB ) (resid 112 and name CG1 ) 1.0 65.0 140.0 2 assign (resid 113 and name N ) (resid 113 and name CA ) (resid 113 and name CB ) (resid 113 and name CG ) 1.0 180.0 145.0 2 assign (resid 113 and name N ) (resid 113 and name CA ) (resid 113 and name CB ) (resid 113 and name CG ) 1.0 -55.0 150.0 2 assign (resid 113 and name CA ) (resid 113 and name CB ) (resid 113 and name CG ) (resid 113 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 113 and name CA ) (resid 113 and name CB ) (resid 113 and name CG ) (resid 113 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 114 and name N ) (resid 114 and name CA ) (resid 114 and name CB ) (resid 114 and name CG ) 1.0 180.0 155.0 2 assign (resid 114 and name N ) (resid 114 and name CA ) (resid 114 and name CB ) (resid 114 and name CG ) 1.0 -60.0 165.0 2 assign (resid 116 and name N ) (resid 116 and name CA ) (resid 116 and name CB ) (resid 116 and name CG ) 1.0 -175.0 150.0 2 assign (resid 116 and name N ) (resid 116 and name CA ) (resid 116 and name CB ) (resid 116 and name CG ) 1.0 -60.0 155.0 2 assign (resid 116 and name CA ) (resid 116 and name CB ) (resid 116 and name CG ) (resid 116 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 116 and name CA ) (resid 116 and name CB ) (resid 116 and name CG ) (resid 116 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 117 and name N ) (resid 117 and name CA ) (resid 117 and name CB ) (resid 117 and name CG ) 1.0 180.0 145.0 2 assign (resid 117 and name N ) (resid 117 and name CA ) (resid 117 and name CB ) (resid 117 and name CG ) 1.0 -55.0 150.0 2 assign (resid 117 and name CA ) (resid 117 and name CB ) (resid 117 and name CG ) (resid 117 and name SD ) 1.0 180.0 135.0 2 assign (resid 118 and name N ) (resid 118 and name CA ) (resid 118 and name CB ) (resid 118 and name CG ) 1.0 180.0 145.0 2 assign (resid 118 and name N ) (resid 118 and name CA ) (resid 118 and name CB ) (resid 118 and name CG ) 1.0 -55.0 150.0 2 assign (resid 118 and name CA ) (resid 118 and name CB ) (resid 118 and name CG ) (resid 118 and name CD ) 1.0 180.0 145.0 2 assign (resid 119 and name N ) (resid 119 and name CA ) (resid 119 and name CB ) (resid 119 and name CG ) 1.0 180.0 145.0 2 assign (resid 119 and name N ) (resid 119 and name CA ) (resid 119 and name CB ) (resid 119 and name CG ) 1.0 -55.0 150.0 2 assign (resid 119 and name CA ) (resid 119 and name CB ) (resid 119 and name CG ) (resid 119 and name CD1 ) 1.0 0.0 145.0 2 assign (resid 120 and name N ) (resid 120 and name CA ) (resid 120 and name CB ) (resid 120 and name CG1 ) 1.0 130.0 75.0 2 assign (resid 120 and name N ) (resid 120 and name CA ) (resid 120 and name CB ) (resid 120 and name CG1 ) 1.0 -65.0 130.0 2 assign (resid 121 and name N ) (resid 121 and name CA ) (resid 121 and name CB ) (resid 121 and name CG ) 1.0 -175.0 150.0 2 assign (resid 121 and name N ) (resid 121 and name CA ) (resid 121 and name CB ) (resid 121 and name CG ) 1.0 -110.0 175.0 2 assign (resid 121 and name N ) (resid 121 and name CA ) (resid 121 and name CB ) (resid 121 and name CG ) 1.0 -55.0 170.0 2 assign (resid 122 and name N ) (resid 122 and name CA ) (resid 122 and name CB ) (resid 122 and name CG ) 1.0 180.0 155.0 2 assign (resid 122 and name N ) (resid 122 and name CA ) (resid 122 and name CB ) (resid 122 and name CG ) 1.0 -55.0 170.0 2 assign (resid 123 and name N ) (resid 123 and name CA ) (resid 123 and name CB ) (resid 123 and name CG ) 1.0 -55.0 170.0 2 assign (resid 123 and name CA ) (resid 123 and name CB ) (resid 123 and name CG ) (resid 123 and name OD1 ) 1.0 0.0 145.0 2 assign (resid 125 and name N ) (resid 125 and name CA ) (resid 125 and name CB ) (resid 125 and name CG ) 1.0 175.0 150.0 2 assign (resid 125 and name N ) (resid 125 and name CA ) (resid 125 and name CB ) (resid 125 and name CG ) 1.0 -55.0 150.0 2 assign (resid 125 and name CA ) (resid 125 and name CB ) (resid 125 and name CG ) (resid 125 and name CD1 ) 1.0 175.0 150.0 2 assign (resid 125 and name CA ) (resid 125 and name CB ) (resid 125 and name CG ) (resid 125 and name CD1 ) 1.0 -5.0 150.0 2 assign (resid 126 and name N ) (resid 126 and name CA ) (resid 126 and name CB ) (resid 126 and name CG ) 1.0 -55.0 170.0 2 assign (resid 127 and name N ) (resid 127 and name CA ) (resid 127 and name CB ) (resid 127 and name CG ) 1.0 -140.0 135.0 2 assign (resid 127 and name N ) (resid 127 and name CA ) (resid 127 and name CB ) (resid 127 and name CG ) 1.0 -60.0 155.0 2 assign (resid 127 and name CA ) (resid 127 and name CB ) (resid 127 and name CG ) (resid 127 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 127 and name CA ) (resid 127 and name CB ) (resid 127 and name CG ) (resid 127 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 127 and name C ) (resid 128 and name N ) (resid 128 and name CA ) (resid 128 and name C ) 1.0 180.0 135.0 2 assign (resid 127 and name C ) (resid 128 and name N ) (resid 128 and name CA ) (resid 128 and name C ) 1.0 -55.0 130.0 2 assign (resid 128 and name N ) (resid 128 and name CA ) (resid 128 and name C ) (resid 129 and name N ) 1.0 40.0 125.0 2 assign (resid 128 and name C ) (resid 129 and name N ) (resid 129 and name CA ) (resid 129 and name C ) 1.0 180.0 135.0 2 assign (resid 129 and name N ) (resid 129 and name CA ) (resid 129 and name C ) (resid 130 and name N ) 1.0 0.0 135.0 2 assign (resid 130 and name N ) (resid 130 and name CA ) (resid 130 and name CB ) (resid 130 and name CG ) 1.0 180.0 155.0 2 assign (resid 130 and name N ) (resid 130 and name CA ) (resid 130 and name CB ) (resid 130 and name CG ) 1.0 -55.0 150.0 2 assign (resid 130 and name CA ) (resid 130 and name CB ) (resid 130 and name CG ) (resid 130 and name CD ) 1.0 180.0 165.0 2 assign (resid 132 and name N ) (resid 132 and name CA ) (resid 132 and name CB ) (resid 132 and name CG ) 1.0 180.0 155.0 2 assign (resid 132 and name N ) (resid 132 and name CA ) (resid 132 and name CB ) (resid 132 and name CG ) 1.0 -55.0 150.0 2 assign (resid 132 and name CA ) (resid 132 and name CB ) (resid 132 and name CG ) (resid 132 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 132 and name CA ) (resid 132 and name CB ) (resid 132 and name CG ) (resid 132 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 133 and name N ) (resid 133 and name CA ) (resid 133 and name CB ) (resid 133 and name CG ) 1.0 180.0 155.0 2 assign (resid 133 and name N ) (resid 133 and name CA ) (resid 133 and name CB ) (resid 133 and name CG ) 1.0 -55.0 150.0 2 assign (resid 133 and name CA ) (resid 133 and name CB ) (resid 133 and name CG ) (resid 133 and name CD ) 1.0 180.0 165.0 2 assign (resid 134 and name N ) (resid 134 and name CA ) (resid 134 and name CB ) (resid 134 and name CG1 ) 1.0 180.0 155.0 2 assign (resid 134 and name N ) (resid 134 and name CA ) (resid 134 and name CB ) (resid 134 and name CG1 ) 1.0 -55.0 140.0 2 assign (resid 134 and name N ) (resid 134 and name CA ) (resid 134 and name CB ) (resid 134 and name CG1 ) 1.0 65.0 140.0 2 assign (resid 134 and name CA ) (resid 134 and name CB ) (resid 134 and name CG1 ) (resid 134 and name CD1 ) 1.0 180.0 135.0 2 assign (resid 134 and name CA ) (resid 134 and name CB ) (resid 134 and name CG1 ) (resid 134 and name CD1 ) 1.0 55.0 140.0 2 assign (resid 134 and name C ) (resid 135 and name N ) (resid 135 and name CA ) (resid 135 and name C ) 1.0 180.0 135.0 2 assign (resid 134 and name C ) (resid 135 and name N ) (resid 135 and name CA ) (resid 135 and name C ) 1.0 -55.0 130.0 2 assign (resid 135 and name N ) (resid 135 and name CA ) (resid 135 and name CB ) (resid 135 and name CG ) 1.0 180.0 155.0 2 assign (resid 135 and name N ) (resid 135 and name CA ) (resid 135 and name CB ) (resid 135 and name CG ) 1.0 -55.0 150.0 2 assign (resid 135 and name CA ) (resid 135 and name CB ) (resid 135 and name CG ) (resid 135 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 135 and name CA ) (resid 135 and name CB ) (resid 135 and name CG ) (resid 135 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 135 and name N ) (resid 135 and name CA ) (resid 135 and name C ) (resid 136 and name N ) 1.0 55.0 140.0 2 assign (resid 135 and name C ) (resid 136 and name N ) (resid 136 and name CA ) (resid 136 and name C ) 1.0 180.0 135.0 2 assign (resid 135 and name C ) (resid 136 and name N ) (resid 136 and name CA ) (resid 136 and name C ) 1.0 -55.0 130.0 2 assign (resid 136 and name N ) (resid 136 and name CA ) (resid 136 and name CB ) (resid 136 and name CG ) 1.0 180.0 175.0 2 assign (resid 136 and name N ) (resid 136 and name CA ) (resid 136 and name CB ) (resid 136 and name CG ) 1.0 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assign (resid 137 and name C ) (resid 138 and name N ) (resid 138 and name CA ) (resid 138 and name C ) 1.0 -55.0 130.0 2 assign (resid 138 and name N ) (resid 138 and name CA ) (resid 138 and name CB ) (resid 138 and name CG ) 1.0 -45.0 150.0 2 assign (resid 138 and name CA ) (resid 138 and name CB ) (resid 138 and name CG ) (resid 138 and name OD1 ) 1.0 0.0 145.0 2 assign (resid 138 and name N ) (resid 138 and name CA ) (resid 138 and name C ) (resid 139 and name N ) 1.0 110.0 55.0 2 assign (resid 138 and name N ) (resid 138 and name CA ) (resid 138 and name C ) (resid 139 and name N ) 1.0 -65.0 150.0 2 assign (resid 139 and name N ) (resid 139 and name CA ) (resid 139 and name C ) (resid 140 and name N ) 1.0 175.0 20.0 2 assign (resid 139 and name C ) (resid 140 and name N ) (resid 140 and name CA ) (resid 140 and name C ) 1.0 180.0 135.0 2 assign (resid 139 and name C ) (resid 140 and name N ) (resid 140 and name CA ) (resid 140 and name C ) 1.0 -55.0 130.0 2 assign (resid 140 and name N ) (resid 140 and name CA ) (resid 140 and name C ) (resid 141 and name N ) 1.0 5.0 90.0 2 assign (resid 140 and name C ) (resid 141 and name N ) (resid 141 and name CA ) (resid 141 and name C ) 1.0 -175.0 130.0 2 assign (resid 140 and name C ) (resid 141 and name N ) (resid 141 and name CA ) (resid 141 and name C ) 1.0 -55.0 130.0 2 assign (resid 141 and name N ) (resid 141 and name CA ) (resid 141 and name CB ) (resid 141 and name CG ) 1.0 180.0 155.0 2 assign (resid 141 and name N ) (resid 141 and name CA ) (resid 141 and name CB ) (resid 141 and name CG ) 1.0 -55.0 150.0 2 assign (resid 141 and name CA ) (resid 141 and name CB ) (resid 141 and name CG ) (resid 141 and name CD ) 1.0 180.0 165.0 2 assign (resid 141 and name N ) (resid 141 and name CA ) (resid 141 and name C ) (resid 142 and name N ) 1.0 -20.0 65.0 2 assign (resid 141 and name C ) (resid 142 and name N ) (resid 142 and name CA ) (resid 142 and name C ) 1.0 180.0 135.0 2 assign (resid 141 and name C ) (resid 142 and name N ) (resid 142 and name CA ) (resid 142 and name C ) 1.0 -60.0 115.0 2 assign (resid 142 and name N ) (resid 142 and name CA ) (resid 142 and name CB ) (resid 142 and name OG1 ) 1.0 -85.0 120.0 2 assign (resid 142 and name N ) (resid 142 and name CA ) (resid 142 and name CB ) (resid 142 and name OG1 ) 1.0 65.0 140.0 2 assign (resid 142 and name N ) (resid 142 and name CA ) (resid 142 and name C ) (resid 143 and name N ) 1.0 55.0 140.0 2 assign (resid 142 and name C ) (resid 143 and name N ) (resid 143 and name CA ) (resid 143 and name C ) 1.0 180.0 135.0 2 assign (resid 142 and name C ) (resid 143 and name N ) (resid 143 and name CA ) (resid 143 and name C ) 1.0 -55.0 130.0 2 assign (resid 143 and name N ) (resid 143 and name CA ) (resid 143 and name C ) (resid 144 and name N ) 1.0 110.0 55.0 2 assign (resid 143 and name N ) (resid 143 and name CA ) (resid 143 and name C ) (resid 144 and name N ) 1.0 -65.0 150.0 2 assign (resid 144 and name N ) (resid 144 and name CA ) (resid 144 and name C ) (resid 145 and name N ) 1.0 -125.0 110.0 2 assign (resid 144 and name N ) (resid 144 and name CA ) (resid 144 and name C ) (resid 145 and name N ) 1.0 70.0 125.0 2 assign (resid 144 and name C ) (resid 145 and name N ) (resid 145 and name CA ) (resid 145 and name C ) 1.0 180.0 135.0 2 assign (resid 144 and name C ) (resid 145 and name N ) (resid 145 and name CA ) (resid 145 and name C ) 1.0 -55.0 130.0 2 assign (resid 145 and name N ) (resid 145 and name CA ) (resid 145 and name CB ) (resid 145 and name CG ) 1.0 -55.0 170.0 2 assign (resid 145 and name N ) (resid 145 and name CA ) (resid 145 and name C ) (resid 146 and name N ) 1.0 5.0 90.0 2 assign (resid 145 and name C ) (resid 146 and name N ) (resid 146 and name CA ) (resid 146 and name C ) 1.0 180.0 135.0 2 assign (resid 145 and name C ) (resid 146 and name N ) (resid 146 and name CA ) (resid 146 and name C ) 1.0 -55.0 130.0 2 assign (resid 146 and name N ) (resid 146 and name CA ) (resid 146 and name CB ) (resid 146 and name CG ) 1.0 180.0 155.0 2 assign (resid 146 and name N ) (resid 146 and name CA ) (resid 146 and name CB ) (resid 146 and name CG ) 1.0 -55.0 150.0 2 assign (resid 146 and name CA ) (resid 146 and name CB ) (resid 146 and name CG ) (resid 146 and name CD ) 1.0 180.0 165.0 2 assign (resid 146 and name N ) (resid 146 and name CA ) (resid 146 and name C ) (resid 147 and name N ) 1.0 0.0 85.0 2 assign (resid 146 and name C ) (resid 147 and name N ) (resid 147 and name CA ) (resid 147 and name C ) 1.0 180.0 135.0 2 assign (resid 146 and name C ) (resid 147 and name N ) (resid 147 and name CA ) (resid 147 and name C ) 1.0 -55.0 130.0 2 assign (resid 147 and name N ) (resid 147 and name CA ) (resid 147 and name CB ) (resid 147 and name CG ) 1.0 180.0 175.0 2 assign (resid 147 and name N ) (resid 147 and name CA ) (resid 147 and name CB ) (resid 147 and name CG ) 1.0 -55.0 160.0 2 assign (resid 147 and name CA ) (resid 147 and name CB ) (resid 147 and name CG ) (resid 147 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 147 and name CA ) (resid 147 and name CB ) (resid 147 and name CG ) (resid 147 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 147 and name N ) (resid 147 and name CA ) (resid 147 and name C ) (resid 148 and name N ) 1.0 60.0 145.0 2 assign (resid 148 and name N ) (resid 148 and name CA ) (resid 148 and name CB ) (resid 148 and name CG ) 1.0 180.0 155.0 2 assign (resid 148 and name N ) (resid 148 and name CA ) (resid 148 and name CB ) (resid 148 and name CG ) 1.0 -55.0 150.0 2 assign (resid 148 and name CA ) (resid 148 and name CB ) (resid 148 and name CG ) (resid 148 and name CD ) 1.0 180.0 145.0 2 assign (resid 149 and name N ) (resid 149 and name CA ) (resid 149 and name CB ) (resid 149 and name OG1 ) 1.0 -60.0 155.0 2 assign (resid 149 and name N ) (resid 149 and name CA ) (resid 149 and name CB ) (resid 149 and name OG1 ) 1.0 65.0 140.0 2 assign (resid 150 and name N ) (resid 150 and name CA ) (resid 150 and name CB ) (resid 150 and name CG ) 1.0 180.0 155.0 2 assign (resid 150 and name N ) (resid 150 and name CA ) (resid 150 and name CB ) (resid 150 and name CG ) 1.0 -55.0 150.0 2 assign (resid 150 and name CA ) (resid 150 and name CB ) (resid 150 and name CG ) (resid 150 and name CD ) 1.0 180.0 145.0 2 assign (resid 151 and name N ) (resid 151 and name CA ) (resid 151 and name CB ) (resid 151 and name CG1 ) 1.0 180.0 135.0 2 assign (resid 151 and name N ) (resid 151 and name CA ) (resid 151 and name CB ) (resid 151 and name CG1 ) 1.0 -55.0 140.0 2 assign (resid 151 and name N ) (resid 151 and name CA ) (resid 151 and name CB ) (resid 151 and name CG1 ) 1.0 55.0 150.0 2 assign (resid 153 and name N ) (resid 153 and name CA ) (resid 153 and name CB ) (resid 153 and name CG ) 1.0 180.0 175.0 2 assign (resid 153 and name N ) (resid 153 and name CA ) (resid 153 and name CB ) (resid 153 and name CG ) 1.0 -55.0 160.0 2 assign (resid 153 and name CA ) (resid 153 and name CB ) (resid 153 and name CG ) (resid 153 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 153 and name CA ) (resid 153 and name CB ) (resid 153 and name CG ) (resid 153 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 153 and name C ) (resid 154 and name N ) (resid 154 and name CA ) (resid 154 and name C ) 1.0 180.0 135.0 2 assign (resid 153 and name C ) (resid 154 and name N ) (resid 154 and name CA ) (resid 154 and name C ) 1.0 -55.0 130.0 2 assign (resid 154 and name N ) (resid 154 and name CA ) (resid 154 and name CB ) (resid 154 and name CG ) 1.0 180.0 155.0 2 assign (resid 154 and name N ) (resid 154 and name CA ) (resid 154 and name CB ) (resid 154 and name CG ) 1.0 -55.0 150.0 2 assign (resid 154 and name CA ) (resid 154 and name CB ) (resid 154 and name CG ) (resid 154 and name SD ) 1.0 180.0 135.0 2 assign (resid 154 and name N ) (resid 154 and name CA ) (resid 154 and name C ) (resid 155 and name N ) 1.0 60.0 145.0 2 assign (resid 154 and name C ) (resid 155 and name N ) (resid 155 and name CA ) (resid 155 and name C ) 1.0 180.0 135.0 2 assign (resid 154 and name C ) (resid 155 and name N ) (resid 155 and name CA ) (resid 155 and name C ) 1.0 -55.0 130.0 2 assign (resid 155 and name N ) (resid 155 and name CA ) (resid 155 and name CB ) (resid 155 and name CG ) 1.0 180.0 175.0 2 assign (resid 155 and name N ) (resid 155 and name CA ) (resid 155 and name CB ) (resid 155 and name CG ) 1.0 -55.0 160.0 2 assign (resid 155 and name CA ) (resid 155 and name CB ) (resid 155 and name CG ) (resid 155 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 155 and name CA ) (resid 155 and name CB ) (resid 155 and name CG ) (resid 155 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 155 and name N ) (resid 155 and name CA ) (resid 155 and name C ) (resid 156 and name N ) 1.0 -120.0 165.0 2 assign (resid 155 and name N ) (resid 155 and name CA ) (resid 155 and name C ) (resid 156 and name N ) 1.0 60.0 145.0 2 assign (resid 155 and name C ) (resid 156 and name N ) (resid 156 and name CA ) (resid 156 and name C ) 1.0 180.0 135.0 2 assign (resid 155 and name C ) (resid 156 and name N ) (resid 156 and name CA ) (resid 156 and name C ) 1.0 -55.0 130.0 2 assign (resid 156 and name N ) (resid 156 and name CA ) (resid 156 and name CB ) (resid 156 and name CG ) 1.0 180.0 155.0 2 assign (resid 156 and name N ) (resid 156 and name CA ) (resid 156 and name CB ) (resid 156 and name CG ) 1.0 -55.0 150.0 2 assign (resid 156 and name N ) (resid 156 and name CA ) (resid 156 and name C ) (resid 157 and name N ) 1.0 55.0 140.0 2 assign (resid 156 and name C ) (resid 157 and name N ) (resid 157 and name CA ) (resid 157 and name C ) 1.0 180.0 135.0 2 assign (resid 156 and name C ) (resid 157 and name N ) (resid 157 and name CA ) (resid 157 and name C ) 1.0 -55.0 130.0 2 assign (resid 157 and name N ) (resid 157 and name CA ) (resid 157 and name CB ) (resid 157 and name CG ) 1.0 180.0 155.0 2 assign (resid 157 and name N ) (resid 157 and name CA ) (resid 157 and name CB ) (resid 157 and name CG ) 1.0 -55.0 150.0 2 assign (resid 157 and name CA ) (resid 157 and name CB ) (resid 157 and name CG ) (resid 157 and name CD ) 1.0 180.0 165.0 2 assign (resid 157 and name N ) (resid 157 and name CA ) (resid 157 and name C ) (resid 158 and name N ) 1.0 55.0 140.0 2 assign (resid 157 and name C ) (resid 158 and name N ) (resid 158 and name CA ) (resid 158 and name C ) 1.0 180.0 135.0 2 assign (resid 157 and name C ) (resid 158 and name N ) (resid 158 and name CA ) (resid 158 and name C ) 1.0 -55.0 130.0 2 assign (resid 158 and name N ) (resid 158 and name CA ) (resid 158 and name C ) (resid 159 and name N ) 1.0 60.0 145.0 2 nassign=1500 assign (resid 14 and name HN ) (resid 95 and name O ) 2.00 2.00 0.00 assign (resid 14 and name N ) (resid 95 and name O ) 3.00 3.00 0.00 assign (resid 19 and name HN ) (resid 90 and name O ) 2.00 2.00 0.00 assign (resid 19 and name N ) (resid 90 and name O ) 3.00 3.00 0.00 assign (resid 21 and name HN ) (resid 88 and name O ) 2.00 2.00 0.00 assign (resid 21 and name N ) (resid 88 and name O ) 3.00 3.00 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(resid 70 and name HN ) 2.00 2.00 0.00 assign (resid 62 and name O ) (resid 70 and name N ) 3.00 3.00 0.00 assign (resid 60 and name O ) (resid 72 and name HN ) 2.00 2.00 0.00 assign (resid 60 and name O ) (resid 72 and name N ) 3.00 3.00 0.00 assign (resid 20 and name O ) (resid 75 and name HN ) 2.00 2.00 0.00 assign (resid 20 and name O ) (resid 75 and name N ) 3.00 3.00 0.00 assign (resid 21 and name O ) (resid 88 and name HN ) 2.00 2.00 0.00 assign (resid 21 and name O ) (resid 88 and name N ) 3.00 3.00 0.00 assign (resid 19 and name O ) (resid 90 and name HN ) 2.00 2.00 0.00 assign (resid 19 and name O ) (resid 90 and name N ) 3.00 3.00 0.00 assign (resid 12 and name O ) (resid 97 and name HN ) 2.00 2.00 0.00 assign (resid 12 and name O ) (resid 97 and name N ) 3.00 3.00 0.00 assign (resid 110 and name O ) (resid 114 and name HN ) 2.00 2.00 0.00 assign (resid 110 and name O ) (resid 114 and name N ) 3.00 3.00 0.00 assign (resid 61 and name O ) (resid 131 and name HN ) 2.00 2.00 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(resid 121 and name HN ) 6.52 6.52 0.00 assign (resid 127 and name HD2* ) (resid 128 and name HN ) 6.52 6.52 0.00 assign (resid 134 and name HG2* ) (resid 135 and name HN ) 6.52 6.52 0.00 assign (resid 134 and name HD1* ) (resid 135 and name HN ) 6.52 6.52 0.00 assign (resid 147 and name HD1* ) (resid 148 and name HN ) 6.52 6.52 0.00 assign (resid 149 and name HG2* ) (resid 150 and name HN ) 6.52 6.52 0.00 assign (resid 151 and name HG2* ) (resid 152 and name HN ) 6.52 6.52 0.00 assign (resid 154 and name HE* ) (resid 155 and name HN ) 6.52 6.52 0.00 assign (resid 155 and name HD1* ) (resid 156 and name HN ) 6.52 6.52 0.00 assign (resid 11 and name HD1* ) (resid 12 and name HA ) 6.52 6.52 0.00 assign (resid 11 and name HD2* ) (resid 12 and name HA ) 6.52 6.52 0.00 assign (resid 12 and name HB2 ) (resid 14 and name HD1* ) 9.61 9.61 0.00 assign (resid 12 and name HB1 ) (resid 14 and name HD1* ) 9.61 9.61 0.00 assign (resid 98 and name HB* ) (resid 116 and name HD1* ) 7.54 7.54 0.00 assign (resid 100 and name HB1 ) (resid 116 and name HD2* ) 6.52 6.52 0.00 assign (resid 100 and name HB2 ) (resid 116 and name HD2* ) 6.52 6.52 0.00 assign (resid 9 and name HA ) (resid 116 and name HD2* ) 6.52 6.52 0.00 assign (resid 22 and name HG2* ) (resid 24 and name HA ) 6.52 6.52 0.00 assign (resid 22 and name HG2* ) (resid 86 and name HD2 ) 6.52 6.52 0.00 assign (resid 22 and name HG2* ) (resid 86 and name HD1 ) 6.52 6.52 0.00 assign (resid 22 and name HG12 ) (resid 87 and name HG2* ) 9.62 9.62 0.00 assign (resid 22 and name HG11 ) (resid 87 and name HG2* ) 9.62 9.62 0.00 assign (resid 24 and name HB ) (resid 34 and name HD1* ) 6.52 6.52 0.00 assign (resid 24 and name HG2* ) (resid 71 and name HB ) 6.52 6.52 0.00 assign (resid 24 and name HG2* ) (resid 34 and name HG ) 6.52 6.52 0.00 assign (resid 24 and name HG2* ) (resid 34 and name HD2* ) 7.54 7.54 0.00 assign (resid 22 and name HG2* ) (resid 24 and name HG2* ) 7.54 7.54 0.00 assign (resid 25 and name HG2 ) (resid 68 and name HG2* ) 6.52 6.52 0.00 assign (resid 24 and name HG2* ) (resid 26 and name HB ) 6.52 6.52 0.00 assign (resid 25 and name HA ) (resid 26 and name HG2* ) 6.52 6.52 0.00 assign (resid 109 and name HA ) (resid 112 and name HG1* ) 6.52 6.52 0.00 assign (resid 26 and name HB ) (resid 34 and name HD2* ) 6.52 6.52 0.00 assign (resid 26 and name HB ) (resid 34 and name HD1* ) 6.52 6.52 0.00 assign (resid 34 and name HA ) (resid 37 and name HB* ) 6.52 6.52 0.00 assign (resid 46 and name HD2* ) (resid 77 and name HB ) 6.52 6.52 0.00 assign (resid 46 and name HD2* ) (resid 53 and name HA ) 6.52 6.52 0.00 assign (resid 46 and name HD2* ) (resid 52 and name HA ) 6.52 6.52 0.00 assign (resid 46 and name HD1* ) (resid 52 and name HA ) 6.52 6.52 0.00 assign (resid 46 and name HD1* ) (resid 51 and name HB2 ) 6.52 6.52 0.00 assign (resid 46 and name HD1* ) (resid 51 and name HB1 ) 6.52 6.52 0.00 assign (resid 51 and name HD2 ) (resid 81 and name HG2* ) 8.17 8.17 0.00 assign (resid 51 and name HD1 ) (resid 81 and name HG1* ) 8.17 8.17 0.00 assign (resid 51 and name HE1 ) (resid 81 and name HG2* ) 8.28 8.28 0.00 assign (resid 51 and name HE2 ) (resid 81 and name HG2* ) 8.28 8.28 0.00 assign (resid 58 and name HD* ) (resid 134 and name HG2* ) 8.65 8.65 0.00 assign (resid 25 and name HG1 ) (resid 68 and name HG2* ) 6.52 6.52 0.00 assign (resid 25 and name HB* ) (resid 68 and name HG2* ) 7.40 7.40 0.00 assign (resid 76 and name HA ) (resid 77 and name HG1* ) 6.52 6.52 0.00 assign (resid 76 and name HA ) (resid 77 and name HG2* ) 6.52 6.52 0.00 assign (resid 18 and name HB2 ) (resid 77 and name HG2* ) 6.52 6.52 0.00 assign (resid 18 and name HB1 ) (resid 77 and name HG2* ) 6.52 6.52 0.00 assign (resid 20 and name HG ) (resid 77 and name HG2* ) 6.52 6.52 0.00 assign (resid 19 and name HB* ) (resid 77 and name HG2* ) 7.54 7.54 0.00 assign (resid 77 and name HG1* ) (resid 81 and name HB ) 6.52 6.52 0.00 assign (resid 54 and name HB* ) (resid 77 and name HG1* ) 7.40 7.40 0.00 assign (resid 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(resid 61 and name HE* ) 8.65 8.65 0.00 assign (resid 46 and name HD1* ) (resid 52 and name HN ) 6.52 6.52 0.00 assign (resid 35 and name HZ ) (resid 59 and name HB* ) 6.52 6.52 0.00 assign (resid 59 and name HB* ) (resid 135 and name HE* ) 8.65 8.65 0.00 assign (resid 26 and name HN ) (resid 68 and name HG2* ) 6.52 6.52 0.00 assign (resid 7 and name HD* ) (resid 115 and name HB* ) 8.65 8.65 0.00 assign (resid 20 and name HN ) (resid 77 and name HG1* ) 6.52 6.52 0.00 assign (resid 20 and name HN ) (resid 77 and name HG2* ) 6.52 6.52 0.00 assign (resid 19 and name HA ) (resid 77 and name HG2* ) 6.52 6.52 0.00 assign (resid 19 and name HA ) (resid 77 and name HG1* ) 6.52 6.52 0.00 assign (resid 79 and name HN ) (resid 81 and name HG2* ) 6.52 6.52 0.00 assign (resid 78 and name HN ) (resid 81 and name HG2* ) 6.52 6.52 0.00 assign (resid 49 and name HE21 ) (resid 81 and name HG2* ) 8.25 8.25 0.00 assign (resid 79 and name HN ) (resid 81 and name HG1* ) 6.52 6.52 0.00 assign (resid 78 and 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assign (resid 109 and name HG2* ) (resid 113 and name HE* ) 8.65 8.65 0.00 assign (resid 102 and name HD* ) (resid 109 and name HD1* ) 8.65 8.65 0.00 assign (resid 109 and name HD1* ) (resid 135 and name HD* ) 8.65 8.65 0.00 assign (resid 109 and name HD1* ) (resid 113 and name HD* ) 8.65 8.65 0.00 assign (resid 109 and name HD1* ) (resid 113 and name HE* ) 8.65 8.65 0.00 assign (resid 102 and name HD* ) (resid 112 and name HG1* ) 8.65 8.65 0.00 assign (resid 7 and name HD* ) (resid 112 and name HG2* ) 8.65 8.65 0.00 assign (resid 102 and name HD* ) (resid 112 and name HG2* ) 8.65 8.65 0.00 assign (resid 119 and name HE3 ) (resid 120 and name HG1* ) 6.52 6.52 0.00 assign (resid 120 and name HG2* ) (resid 127 and name HN ) 6.52 6.52 0.00 assign (resid 120 and name HG2* ) (resid 125 and name HN ) 6.52 6.52 0.00 assign (resid 119 and name HE3 ) (resid 120 and name HG2* ) 6.52 6.52 0.00 assign (resid 120 and name HG2* ) (resid 125 and name HD* ) 8.65 8.65 0.00 assign (resid 120 and name HG2* ) (resid 126 and name HA ) 6.52 6.52 0.00 assign (resid 61 and name HD* ) (resid 131 and name HB* ) 8.65 8.65 0.00 assign (resid 113 and name HE* ) (resid 131 and name HB* ) 8.65 8.65 0.00 assign (resid 132 and name HE* ) (resid 134 and name HD1* ) 8.65 8.65 0.00 assign (resid 143 and name HB* ) (resid 146 and name HN ) 6.52 6.52 0.00 assign (resid 135 and name HD* ) (resid 149 and name HG2* ) 8.65 8.65 0.00 assign (resid 135 and name HE* ) (resid 149 and name HG2* ) 8.65 8.65 0.00 assign (resid 113 and name HE* ) (resid 151 and name HG1* ) 8.65 8.65 0.00 assign (resid 113 and name HE* ) (resid 151 and name HG2* ) 8.65 8.65 0.00 assign (resid 98 and name HN ) (resid 155 and name HD1* ) 6.52 6.52 0.00 assign (resid 98 and name HN ) (resid 155 and name HD2* ) 6.52 6.52 0.00 assign (resid 97 and name HA ) (resid 155 and name HD1* ) 6.52 6.52 0.00 assign (resid 97 and name HA ) (resid 155 and name HD2* ) 6.52 6.52 0.00 assign (resid 7 and name HE* ) (resid 111 and name HB* ) 8.65 8.65 0.00 assign (resid 125 and name HB2 ) (resid 155 and name HD2* ) 6.52 6.52 0.00 assign (resid 125 and name HB1 ) (resid 155 and name HD2* ) 6.52 6.52 0.00 assign (resid 125 and name HD* ) (resid 155 and name HD2* ) 8.65 8.65 0.00 assign (resid 98 and name HB* ) (resid 155 and name HD2* ) 7.54 7.54 0.00 assign (resid 98 and name HB* ) (resid 155 and name HD1* ) 7.54 7.54 0.00 assign (resid 35 and name HE* ) (resid 59 and name HB* ) 8.65 8.65 0.00 assign (resid 71 and name HG1* ) (resid 72 and name HN ) 6.52 6.52 0.00 assign (resid 69 and name HD* ) (resid 71 and name HG1* ) 8.65 8.65 0.00 assign (resid 35 and name HZ ) (resid 71 and name HG1* ) 6.52 6.52 0.00 assign (resid 35 and name HE* ) (resid 71 and name HG1* ) 8.65 8.65 0.00 assign (resid 61 and name HE* ) (resid 71 and name HG1* ) 8.65 8.65 0.00 assign (resid 61 and name HD* ) (resid 71 and name HG1* ) 8.65 8.65 0.00 assign (resid 61 and name HA ) (resid 71 and name HG1* ) 6.52 6.52 0.00 assign (resid 25 and name HB* ) (resid 71 and name HG1* ) 7.40 7.40 0.00 assign (resid 46 and name HD1* ) (resid 81 and name HG2* ) 7.54 7.54 0.00 assign (resid 46 and name HD2* ) (resid 81 and name HG2* ) 7.54 7.54 0.00 assign (resid 46 and name HD1* ) (resid 81 and name HG1* ) 7.54 7.54 0.00 assign (resid 46 and name HD2* ) (resid 81 and name HG1* ) 7.54 7.54 0.00 assign (resid 45 and name HD1* ) (resid 49 and name HE21 ) 6.52 6.52 0.00 assign (resid 45 and name HN ) (resid 45 and name HD1* ) 6.52 6.52 0.00 assign (resid 45 and name HD1* ) (resid 84 and name HN ) 6.24 6.24 0.00 assign (resid 45 and name HD1* ) (resid 84 and name HB1 ) 6.52 6.52 0.00 assign (resid 45 and name HD1* ) (resid 83 and name HA1 ) 6.52 6.52 0.00 assign (resid 45 and name HD1* ) (resid 83 and name HA2 ) 6.52 6.52 0.00 assign (resid 45 and name HD1* ) (resid 84 and name HB2 ) 6.52 6.52 0.00 assign (resid 45 and name HD1* ) (resid 46 and name HN ) 6.52 6.52 0.00 assign (resid 45 and name HD2* ) (resid 83 and name HA1 ) 6.52 6.52 0.00 assign (resid 45 and name HD2* ) (resid 83 and name HA2 ) 6.52 6.52 0.00 assign (resid 45 and name HD2* ) (resid 84 and name HN ) 6.52 6.52 0.00 assign (resid 45 and name HD2* ) (resid 46 and name HN ) 6.52 6.52 0.00 assign (resid 45 and name HD2* ) (resid 83 and name HN ) 6.52 6.52 0.00 assign (resid 42 and name HD1* ) (resid 75 and name HN ) 6.52 6.52 0.00 assign (resid 22 and name HN ) (resid 42 and name HD1* ) 6.52 6.52 0.00 assign (resid 42 and name HD1* ) (resid 75 and name HD* ) 8.65 8.65 0.00 assign (resid 39 and name HD* ) (resid 42 and name HD1* ) 8.65 8.65 0.00 assign (resid 39 and name HA ) (resid 42 and name HD1* ) 6.52 6.52 0.00 assign (resid 26 and name HG2* ) (resid 69 and name HE* ) 8.65 8.65 0.00 assign (resid 26 and name HG2* ) (resid 69 and name HD* ) 8.65 8.65 0.00 assign (resid 26 and name HG2* ) (resid 71 and name HG1* ) 7.54 7.54 0.00 assign (resid 45 and name HA ) (resid 45 and name HD1* ) 6.52 6.52 0.00 assign (resid 17 and name HG1* ) (resid 76 and name HB2 ) 6.52 6.52 0.00 assign (resid 17 and name HG1* ) (resid 76 and name HB1 ) 6.52 6.52 0.00 assign (resid 17 and name HG1* ) (resid 18 and name HD1 ) 6.52 6.52 0.00 assign (resid 16 and name HA ) (resid 17 and name HG1* ) 6.52 6.52 0.00 assign (resid 17 and name HG1* ) (resid 76 and name HA ) 6.52 6.52 0.00 assign (resid 17 and name HG1* ) (resid 92 and name HN ) 6.52 6.52 0.00 assign (resid 17 and name HG2* ) (resid 18 and name HD1 ) 6.52 6.52 0.00 assign (resid 17 and name HG2* ) (resid 92 and name HN ) 6.52 6.52 0.00 assign (resid 17 and name HG2* ) (resid 18 and name HD2 ) 6.52 6.52 0.00 assign (resid 17 and name HG1* ) (resid 18 and name HD2 ) 6.52 6.52 0.00 assign (resid 112 and name HA ) (resid 115 and name HB* ) 6.52 6.52 0.00 assign (resid 7 and name HB1 ) (resid 115 and name HB* ) 6.52 6.52 0.00 assign (resid 112 and name HG2* ) (resid 115 and name HB* ) 7.54 7.54 0.00 assign (resid 19 and name HB* ) (resid 76 and name HA ) 6.27 6.27 0.00 assign (resid 22 and name HG2* ) (resid 24 and name HB ) 6.52 6.52 0.00 assign (resid 22 and name HA ) (resid 88 and name HG2* ) 6.52 6.52 0.00 assign (resid 97 and name HB* ) (resid 152 and name HB2 ) 6.52 6.52 0.00 assign (resid 103 and name HG2* ) (resid 145 and name HA ) 6.52 6.52 0.00 assign (resid 102 and name HA ) (resid 112 and name HG2* ) 6.52 6.52 0.00 assign (resid 98 and name HB* ) (resid 120 and name HA ) 6.52 6.52 0.00 assign (resid 61 and name HB1 ) (resid 131 and name HB* ) 6.52 6.52 0.00 assign (resid 7 and name HB2 ) (resid 115 and name HB* ) 6.52 6.52 0.00 assign (resid 139 and name HD1 ) (resid 147 and name HD1* ) 6.52 6.52 0.00 assign (resid 139 and name HD2 ) (resid 147 and name HD1* ) 6.52 6.52 0.00 assign (resid 11 and name HB2 ) (resid 155 and name HD1* ) 6.52 6.52 0.00 assign (resid 11 and name HD1* ) (resid 98 and name HA ) 6.52 6.52 0.00 assign (resid 18 and name HD2 ) (resid 91 and name HD2* ) 9.61 9.61 0.00 assign (resid 100 and name HB1 ) (resid 116 and name HD1* ) 6.52 6.52 0.00 assign (resid 33 and name HA ) (resid 37 and name HB* ) 6.52 6.52 0.00 assign (resid 2 and name HB* ) (resid 3 and name HB* ) 5.87 5.87 0.00 assign (resid 2 and name HB1 ) (resid 3 and name HB2 ) 6.95 6.95 0.00 assign (resid 2 and name HB1 ) (resid 3 and name HB1 ) 6.95 6.95 0.00 assign (resid 4 and name HN ) (resid 4 and name HB* ) 3.91 3.91 0.00 assign (resid 6 and name HN ) (resid 6 and name HB* ) 3.77 3.77 0.00 assign (resid 6 and name HN ) (resid 6 and name HG* ) 6.38 6.38 0.00 assign (resid 6 and name HB* ) (resid 7 and name HN ) 4.31 4.31 0.00 assign (resid 7 and name HN ) (resid 7 and name HB* ) 3.79 3.79 0.00 assign (resid 7 and name HB* ) (resid 112 and name HG2* ) 7.40 7.40 0.00 assign (resid 8 and name HG* ) (resid 9 and name HN ) 6.18 6.18 0.00 assign (resid 8 and name HG* ) (resid 100 and name HA ) 8.07 8.07 0.00 assign (resid 9 and name HB* ) (resid 10 and name HN ) 4.19 4.19 0.00 assign (resid 9 and name HB* ) (resid 100 and name HA ) 6.38 6.38 0.00 assign (resid 9 and name HB* ) (resid 116 and name HD2* ) 7.40 7.40 0.00 assign (resid 9 and name HB* ) (resid 119 and name HD1 ) 6.38 6.38 0.00 assign (resid 10 and name HN ) (resid 100 and name HB* ) 6.38 6.38 0.00 assign (resid 10 and name HB* ) (resid 11 and name HN ) 3.85 3.85 0.00 assign (resid 11 and name HD1* ) (resid 96 and name HG* ) 7.21 7.21 0.00 assign (resid 11 and name HD1* ) (resid 96 and name HE* ) 7.40 7.40 0.00 assign (resid 11 and name HD2* ) (resid 96 and name HE* ) 7.40 7.40 0.00 assign (resid 12 and name HN ) (resid 12 and name HB* ) 3.73 3.73 0.00 assign (resid 12 and name HB* ) (resid 12 and name HE* ) 6.32 6.32 0.00 assign (resid 12 and name HB1 ) (resid 12 and name HE2 ) 7.26 7.26 0.00 assign (resid 12 and name HB1 ) (resid 12 and name HE1 ) 7.26 7.26 0.00 assign (resid 12 and name HB* ) (resid 13 and name HN ) 4.25 4.25 0.00 assign (resid 12 and name HB* ) (resid 14 and name HD* ) 8.02 8.02 0.00 assign (resid 12 and name HB2 ) (resid 14 and name HD2* ) 9.61 9.61 0.00 assign (resid 12 and name HB1 ) (resid 14 and name HD2* ) 9.61 9.61 0.00 assign (resid 12 and name HG* ) (resid 13 and name HN ) 6.38 6.38 0.00 assign (resid 12 and name HD* ) (resid 13 and name HN ) 6.38 6.38 0.00 assign (resid 13 and name HA ) (resid 96 and name HG* ) 6.38 6.38 0.00 assign (resid 13 and name HB* ) (resid 14 and name HN ) 4.21 4.21 0.00 assign (resid 13 and name HG* ) (resid 96 and name HA ) 6.38 6.38 0.00 assign (resid 13 and name HG* ) (resid 96 and name HG* ) 6.92 6.92 0.00 assign (resid 14 and name HB* ) (resid 93 and name HB* ) 7.26 7.26 0.00 assign (resid 14 and name HB* ) (resid 94 and name HN ) 6.38 6.38 0.00 assign (resid 14 and name HB* ) (resid 94 and name HA ) 6.38 6.38 0.00 assign (resid 14 and name HB* ) (resid 95 and name HN ) 6.38 6.38 0.00 assign (resid 14 and name HB* ) (resid 97 and name HB* ) 7.40 7.40 0.00 assign (resid 14 and name HD* ) (resid 97 and name HB* ) 9.09 9.09 0.00 assign (resid 14 and name HD* ) (resid 132 and name HD* ) 10.20 10.20 0.00 assign (resid 14 and name HD* ) (resid 152 and name HB* ) 8.95 8.95 0.00 assign (resid 16 and name HA ) (resid 91 and name HD* ) 8.07 8.07 0.00 assign (resid 17 and name HB ) (resid 76 and name HB* ) 6.38 6.38 0.00 assign (resid 17 and name HG1* ) (resid 76 and name HG* ) 7.41 7.41 0.00 assign (resid 18 and name HA ) (resid 91 and name HD* ) 7.63 7.63 0.00 assign (resid 18 and name HB2 ) (resid 91 and name HD* ) 8.07 8.07 0.00 assign (resid 18 and name HG* ) (resid 77 and name HG2* ) 7.41 7.41 0.00 assign (resid 18 and name HG* ) (resid 91 and name HD* ) 8.95 8.95 0.00 assign (resid 18 and name HD* ) (resid 91 and name HD* ) 8.02 8.02 0.00 assign (resid 18 and name HD2 ) (resid 91 and name HD1* ) 9.61 9.61 0.00 assign (resid 18 and name HD1 ) (resid 91 and name HD1* ) 9.61 9.61 0.00 assign (resid 19 and name HN ) (resid 91 and name HD* ) 8.04 8.04 0.00 assign (resid 20 and name HB* ) (resid 77 and name HG1* ) 5.85 5.85 0.00 assign (resid 20 and name HG ) (resid 81 and name HG* ) 8.07 8.07 0.00 assign (resid 20 and name HD* ) (resid 46 and name HD1* ) 8.84 8.84 0.00 assign (resid 20 and name HD* ) (resid 77 and name HB ) 8.07 8.07 0.00 assign (resid 20 and name HD* ) (resid 81 and name HB ) 8.07 8.07 0.00 assign (resid 20 and name HD* ) (resid 82 and name HA ) 8.07 8.07 0.00 assign (resid 20 and name HD* ) (resid 83 and name HN ) 8.07 8.07 0.00 assign (resid 20 and name HD* ) (resid 83 and name HA* ) 6.77 6.77 0.00 assign (resid 20 and name HD1* ) (resid 83 and name HA1 ) 8.28 8.28 0.00 assign (resid 20 and name HD* ) (resid 87 and name HN ) 8.07 8.07 0.00 assign (resid 20 and name HD* ) (resid 87 and name HA ) 8.07 8.07 0.00 assign (resid 20 and name HD* ) (resid 87 and name HB ) 8.07 8.07 0.00 assign (resid 20 and name HD* ) (resid 88 and name HN ) 8.07 8.07 0.00 assign (resid 20 and name HD* ) (resid 89 and name HG2* ) 8.22 8.22 0.00 assign (resid 20 and name HD* ) (resid 90 and name HN ) 8.07 8.07 0.00 assign (resid 21 and name HN ) (resid 87 and name HG* ) 8.07 8.07 0.00 assign (resid 22 and name HG2* ) (resid 86 and name HB* ) 7.40 7.40 0.00 assign (resid 22 and name HG1* ) (resid 42 and name HD1* ) 7.40 7.40 0.00 assign (resid 22 and name HG1* ) (resid 87 and name HG* ) 8.02 8.02 0.00 assign (resid 22 and name HG12 ) (resid 87 and name HG1* ) 9.62 9.62 0.00 assign (resid 22 and name HG11 ) (resid 87 and name HG1* ) 9.62 9.62 0.00 assign (resid 31 and name HA ) (resid 34 and name HB* ) 5.11 5.11 0.00 assign (resid 31 and name HB* ) (resid 32 and name HN ) 4.15 4.15 0.00 assign (resid 31 and name HD* ) (resid 35 and name HD* ) 10.20 10.20 0.00 assign (resid 31 and name HD* ) (resid 69 and name HE* ) 10.20 10.20 0.00 assign (resid 33 and name HA ) (resid 36 and name HB* ) 4.84 4.84 0.00 assign (resid 33 and name HB* ) (resid 36 and name HB* ) 7.26 7.26 0.00 assign (resid 34 and name HN ) (resid 34 and name HB* ) 3.72 3.72 0.00 assign (resid 34 and name HB* ) (resid 35 and name HN ) 3.93 3.93 0.00 assign (resid 35 and name HB* ) (resid 36 and name HN ) 4.45 4.45 0.00 assign (resid 36 and name HN ) (resid 36 and name HB* ) 3.42 3.42 0.00 assign (resid 36 and name HA ) (resid 39 and name HB* ) 6.26 6.26 0.00 assign (resid 36 and name HB* ) (resid 37 and name HN ) 3.97 3.97 0.00 assign (resid 40 and name HN ) (resid 40 and name HB* ) 3.56 3.56 0.00 assign (resid 40 and name HB* ) (resid 41 and name HN ) 4.13 4.13 0.00 assign (resid 45 and name HB* ) (resid 84 and name HB* ) 6.32 6.32 0.00 assign (resid 45 and name HB2 ) (resid 84 and name HB2 ) 7.26 7.26 0.00 assign (resid 45 and name HB1 ) (resid 84 and name HB2 ) 7.26 7.26 0.00 assign (resid 45 and name HD1* ) (resid 83 and name HA* ) 5.98 5.98 0.00 assign (resid 45 and name HD2* ) (resid 83 and name HA* ) 6.29 6.29 0.00 assign (resid 46 and name HA ) (resid 49 and name HB* ) 5.23 5.23 0.00 assign (resid 46 and name HA ) (resid 81 and name HG* ) 8.07 8.07 0.00 assign (resid 46 and name HD1* ) (resid 53 and name HG* ) 7.41 7.41 0.00 assign (resid 49 and name HN ) (resid 49 and name HB* ) 3.57 3.57 0.00 assign (resid 49 and name HB* ) (resid 81 and name HG* ) 8.02 8.02 0.00 assign (resid 49 and name HB2 ) (resid 81 and name HG2* ) 9.62 9.62 0.00 assign (resid 49 and name HB1 ) (resid 81 and name HG2* ) 9.62 9.62 0.00 assign (resid 49 and name HE2* ) (resid 81 and name HG* ) 6.76 6.76 0.00 assign (resid 49 and name HE22 ) (resid 81 and name HG2* ) 8.25 8.25 0.00 assign (resid 49 and name HE2* ) (resid 82 and name HB* ) 5.85 5.85 0.00 assign (resid 49 and name HE22 ) (resid 82 and name HB2 ) 7.23 7.23 0.00 assign (resid 51 and name HN ) (resid 51 and name HB* ) 3.73 3.73 0.00 assign (resid 51 and name HN ) (resid 51 and name HD* ) 6.38 6.38 0.00 assign (resid 51 and name HA ) (resid 51 and name HD* ) 5.01 5.01 0.00 assign (resid 51 and name HA ) (resid 51 and name HE* ) 5.00 5.00 0.00 assign (resid 51 and name HB* ) (resid 52 and name HN ) 3.32 3.32 0.00 assign (resid 51 and name HD* ) (resid 81 and name HG* ) 7.05 7.05 0.00 assign (resid 51 and name HD2 ) (resid 81 and name HG1* ) 8.17 8.17 0.00 assign (resid 51 and name HD1 ) (resid 81 and name HG2* ) 8.17 8.17 0.00 assign (resid 51 and name HE* ) (resid 81 and name HG* ) 6.68 6.68 0.00 assign (resid 51 and name HE1 ) (resid 81 and name HG1* ) 8.28 8.28 0.00 assign (resid 52 and name HN ) (resid 52 and name HB* ) 3.73 3.73 0.00 assign (resid 53 and name HB* ) (resid 54 and name HN ) 3.88 3.88 0.00 assign (resid 53 and name HB* ) (resid 55 and name HN ) 3.71 3.71 0.00 assign (resid 53 and name HB* ) (resid 75 and name HB* ) 6.32 6.32 0.00 assign (resid 53 and name HB2 ) (resid 75 and name HB1 ) 7.26 7.26 0.00 assign (resid 53 and name HB1 ) (resid 75 and name HB1 ) 7.26 7.26 0.00 assign (resid 53 and name HB* ) (resid 77 and name HG1* ) 7.40 7.40 0.00 assign (resid 53 and name HD* ) (resid 54 and name HN ) 5.50 5.50 0.00 assign (resid 58 and name HB* ) (resid 59 and name HN ) 4.48 4.48 0.00 assign (resid 58 and name HB* ) (resid 134 and name HG2* ) 7.40 7.40 0.00 assign (resid 58 and name HB* ) (resid 134 and name HD1* ) 7.40 7.40 0.00 assign (resid 60 and name HA ) (resid 133 and name HG* ) 6.38 6.38 0.00 assign (resid 61 and name HA ) (resid 70 and name HG* ) 6.38 6.38 0.00 assign (resid 64 and name HN ) (resid 64 and name HB* ) 3.82 3.82 0.00 assign (resid 64 and name HG* ) (resid 154 and name HN ) 6.38 6.38 0.00 assign (resid 69 and name HB* ) (resid 70 and name HN ) 4.09 4.09 0.00 assign (resid 70 and name HG* ) (resid 71 and name HN ) 5.37 5.37 0.00 assign (resid 70 and name HG* ) (resid 71 and name HA ) 6.38 6.38 0.00 assign (resid 77 and name HB ) (resid 81 and name HG* ) 7.36 7.36 0.00 assign (resid 77 and name HG2* ) (resid 79 and name HA* ) 7.40 7.40 0.00 assign (resid 78 and name HB* ) (resid 79 and name HN ) 4.11 4.11 0.00 assign (resid 82 and name HN ) (resid 82 and name HB* ) 3.85 3.85 0.00 assign (resid 82 and name HB* ) (resid 83 and name HN ) 4.08 4.08 0.00 assign (resid 82 and name HB* ) (resid 89 and name HG2* ) 7.40 7.40 0.00 assign (resid 82 and name HG* ) (resid 83 and name HN ) 5.35 5.35 0.00 assign (resid 83 and name HA* ) (resid 88 and name HG1* ) 7.40 7.40 0.00 assign (resid 83 and name HA* ) (resid 89 and name HN ) 5.26 5.26 0.00 assign (resid 90 and name HA* ) (resid 91 and name HN ) 3.08 3.08 0.00 assign (resid 91 and name HD* ) (resid 92 and name HN ) 6.07 6.07 0.00 assign (resid 93 and name HB* ) (resid 94 and name HN ) 3.77 3.77 0.00 assign (resid 94 and name HB* ) (resid 95 and name HN ) 3.86 3.86 0.00 assign (resid 96 and name HN ) (resid 96 and name HB* ) 3.88 3.88 0.00 assign (resid 96 and name HB* ) (resid 97 and name HN ) 4.16 4.16 0.00 assign (resid 98 and name HB* ) (resid 153 and name HB* ) 7.40 7.40 0.00 assign (resid 100 and name HB* ) (resid 112 and name HG1* ) 7.40 7.40 0.00 assign (resid 100 and name HB* ) (resid 112 and name HG2* ) 6.02 6.02 0.00 assign (resid 100 and name HB* ) (resid 116 and name HA ) 6.38 6.38 0.00 assign (resid 100 and name HB* ) (resid 116 and name HD2* ) 6.11 6.11 0.00 assign (resid 101 and name HB* ) (resid 136 and name HD* ) 8.95 8.95 0.00 assign (resid 102 and name HB* ) (resid 112 and name HG2* ) 7.40 7.40 0.00 assign (resid 103 and name HG2* ) (resid 146 and name HG* ) 7.40 7.40 0.00 assign (resid 103 and name HD1* ) (resid 148 and name HB* ) 7.40 7.40 0.00 assign (resid 106 and name HE* ) (resid 133 and name HB* ) 8.51 8.51 0.00 assign (resid 106 and name HE* ) (resid 133 and name HG* ) 8.51 8.51 0.00 assign (resid 109 and name HG1* ) (resid 113 and name HE* ) 8.51 8.51 0.00 assign (resid 109 and name HG1* ) (resid 151 and name HG1* ) 7.40 7.40 0.00 assign (resid 109 and name HG1* ) (resid 151 and name HG2* ) 7.40 7.40 0.00 assign (resid 110 and name HN ) (resid 110 and name HB* ) 3.36 3.36 0.00 assign (resid 110 and name HA ) (resid 113 and name HB* ) 6.38 6.38 0.00 assign (resid 111 and name HA ) (resid 114 and name HB* ) 4.99 4.99 0.00 assign (resid 113 and name HB* ) (resid 114 and name HN ) 4.32 4.32 0.00 assign (resid 114 and name HN ) (resid 114 and name HB* ) 3.76 3.76 0.00 assign (resid 114 and name HB* ) (resid 115 and name HN ) 3.82 3.82 0.00 assign (resid 116 and name HN ) (resid 116 and name HB* ) 3.73 3.73 0.00 assign (resid 116 and name HA ) (resid 119 and name HB* ) 5.14 5.14 0.00 assign (resid 118 and name HN ) (resid 118 and name HD* ) 6.38 6.38 0.00 assign (resid 118 and name HA ) (resid 121 and name HB* ) 4.32 4.32 0.00 assign (resid 118 and name HG* ) (resid 119 and name HN ) 6.38 6.38 0.00 assign (resid 118 and name HG* ) (resid 121 and name HB* ) 7.26 7.26 0.00 assign (resid 119 and name HA ) (resid 122 and name HB* ) 6.38 6.38 0.00 assign (resid 121 and name HB* ) (resid 122 and name HN ) 3.91 3.91 0.00 assign (resid 122 and name HN ) (resid 122 and name HB* ) 3.24 3.24 0.00 assign (resid 122 and name HB* ) (resid 123 and name HN ) 4.40 4.40 0.00 assign (resid 123 and name HN ) (resid 123 and name HB* ) 3.71 3.71 0.00 assign (resid 125 and name HB1 ) (resid 155 and name HB* ) 6.38 6.38 0.00 assign (resid 125 and name HD* ) (resid 155 and name HB* ) 8.51 8.51 0.00 assign (resid 132 and name HD* ) (resid 152 and name HB* ) 8.51 8.51 0.00 assign (resid 136 and name HD* ) (resid 137 and name HN ) 8.07 8.07 0.00 assign (resid 136 and name HD* ) (resid 149 and name HA ) 8.07 8.07 0.00 assign (resid 138 and name HN ) (resid 138 and name HB* ) 3.75 3.75 0.00 assign (resid 138 and name HB* ) (resid 141 and name HG* ) 7.26 7.26 0.00 assign (resid 140 and name HB* ) (resid 141 and name HG* ) 7.40 7.40 0.00 assign (resid 141 and name HN ) (resid 141 and name HB* ) 3.62 3.62 0.00 assign (resid 141 and name HB* ) (resid 142 and name HN ) 4.08 4.08 0.00 assign (resid 142 and name HG2* ) (resid 146 and name HB* ) 7.40 7.40 0.00 assign (resid 143 and name HB* ) (resid 146 and name HB* ) 7.40 7.40 0.00 assign (resid 143 and name HB* ) (resid 146 and name HG* ) 6.62 6.62 0.00 assign (resid 144 and name HA ) (resid 147 and name HB* ) 6.38 6.38 0.00 assign (resid 144 and name HB* ) (resid 145 and name HN ) 3.83 3.83 0.00 assign (resid 145 and name HN ) (resid 145 and name HB* ) 3.59 3.59 0.00 assign (resid 146 and name HN ) (resid 146 and name HB* ) 3.67 3.67 0.00 assign (resid 146 and name HN ) (resid 147 and name HB* ) 5.08 5.08 0.00 assign (resid 147 and name HN ) (resid 147 and name HB* ) 3.62 3.62 0.00 assign (resid 153 and name HN ) (resid 153 and name HB* ) 3.80 3.80 0.00 assign (resid 153 and name HB* ) (resid 155 and name HD2* ) 6.75 6.75 0.00 assign (resid 154 and name HB* ) (resid 159 and name HN ) 6.38 6.38 0.00 assign (resid 154 and name HB* ) (resid 159 and name HD* ) 8.11 8.11 0.00 assign (resid 155 and name HB* ) (resid 156 and name HN ) 4.11 4.11 0.00 assign (resid 156 and name HN ) (resid 156 and name HB* ) 3.52 3.52 0.00 assign (resid 159 and name HN ) (resid 159 and name HD* ) 8.07 8.07 0.00 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 12.849 13.587 25.190 2 H2 MET 1 H2 MET 1 13.416 12.011 25.458 3 H3 MET 1 H3 MET 1 12.135 12.611 26.381 4 HA MET 1 HA MET 1 11.269 11.116 24.769 5 HB2 MET 1 HB2 MET 1 9.655 12.575 23.678 6 HB3 MET 1 HB3 MET 1 9.944 13.111 25.325 7 HG2 MET 1 HG2 MET 1 11.521 14.815 24.407 8 HG3 MET 1 HG3 MET 1 10.987 14.346 22.794 9 HE1 MET 1 HE1 MET 1 8.887 14.587 26.122 10 HE2 MET 1 HE2 MET 1 8.253 16.229 26.002 11 HE3 MET 1 HE3 MET 1 9.984 15.964 26.213 12 H ASP 2 H ASP 2 14.071 11.942 23.905 13 HA ASP 2 HA ASP 2 13.701 11.839 21.003 14 HB2 ASP 2 HB2 ASP 2 16.308 11.954 21.099 15 HB3 ASP 2 HB3 ASP 2 15.375 13.400 21.438 16 H PHE 3 H PHE 3 15.993 10.261 23.227 17 HA PHE 3 HA PHE 3 15.784 7.791 21.750 18 HB2 PHE 3 HB2 PHE 3 17.293 8.472 24.283 19 HB3 PHE 3 HB3 PHE 3 17.379 6.929 23.453 20 HD1 PHE 3 HD2 PHE 3 17.910 7.233 20.815 21 HD2 PHE 3 HD1 PHE 3 19.039 9.901 23.932 22 HE1 PHE 3 HE2 PHE 3 19.746 8.086 19.416 23 HE2 PHE 3 HE1 PHE 3 20.877 10.756 22.539 24 HZ PHE 3 HZ PHE 3 21.233 9.849 20.280 25 H GLU 4 H GLU 4 13.571 7.320 22.040 26 HA GLU 4 HA GLU 4 12.759 6.570 24.755 27 HB2 GLU 4 HB2 GLU 4 11.148 6.779 22.205 28 HB3 GLU 4 HB3 GLU 4 10.496 6.337 23.777 29 HG2 GLU 4 HG2 GLU 4 11.061 8.516 24.659 30 HG3 GLU 4 HG3 GLU 4 11.809 8.967 23.127 31 H CYS 5 H CYS 5 13.408 5.336 21.575 32 HA CYS 5 HA CYS 5 13.858 3.274 20.774 33 HB2 CYS 5 HB2 CYS 5 14.090 2.514 23.691 34 HB3 CYS 5 HB3 CYS 5 14.667 1.554 22.331 35 HG CYS 5 HG CYS 5 16.827 2.832 23.661 36 H GLN 6 H GLN 6 11.997 2.758 19.773 37 HA GLN 6 HA GLN 6 10.359 0.750 21.064 38 HB2 GLN 6 HB2 GLN 6 8.240 1.893 20.362 39 HB3 GLN 6 HB3 GLN 6 9.104 2.708 21.656 40 HG2 GLN 6 HG2 GLN 6 10.090 4.203 19.867 41 HG3 GLN 6 HG3 GLN 6 8.896 3.508 18.772 42 HE21 GLN 6 HE21 GLN 6 9.431 5.551 21.507 43 HE22 GLN 6 HE22 GLN 6 7.859 6.259 21.557 44 H PHE 7 H PHE 7 10.427 -0.875 19.705 45 HA PHE 7 HA PHE 7 10.402 -2.155 17.853 46 HB2 PHE 7 HB2 PHE 7 9.099 0.282 16.635 47 HB3 PHE 7 HB3 PHE 7 9.272 -1.261 15.816 48 HD1 PHE 7 HD1 PHE 7 8.062 -3.245 16.644 49 HD2 PHE 7 HD2 PHE 7 7.407 0.634 18.267 50 HE1 PHE 7 HE1 PHE 7 5.942 -4.018 17.624 51 HE2 PHE 7 HE2 PHE 7 5.287 -0.132 19.252 52 HZ PHE 7 HZ PHE 7 4.551 -2.460 18.931 53 H VAL 8 H VAL 8 11.071 -2.052 15.365 54 HA VAL 8 HA VAL 8 13.505 -0.397 15.163 55 HB VAL 8 HB VAL 8 13.086 -3.161 14.002 56 HG11 VAL 8 HG11 VAL 8 15.457 -3.011 13.363 57 HG12 VAL 8 HG12 VAL 8 15.488 -1.339 13.929 58 HG13 VAL 8 HG13 VAL 8 14.469 -1.788 12.561 59 HG21 VAL 8 HG21 VAL 8 14.839 -3.867 15.568 60 HG22 VAL 8 HG22 VAL 8 13.420 -3.247 16.411 61 HG23 VAL 8 HG23 VAL 8 14.864 -2.246 16.261 62 H CYS 9 H CYS 9 13.025 1.196 13.805 63 HA CYS 9 HA CYS 9 11.237 0.676 11.551 64 HB2 CYS 9 HB2 CYS 9 12.241 3.322 12.613 65 HB3 CYS 9 HB3 CYS 9 10.952 3.079 11.439 66 HG CYS 9 HG CYS 9 9.388 1.621 13.404 67 H GLU 10 H GLU 10 11.851 0.971 9.443 68 HA GLU 10 HA GLU 10 14.696 1.593 9.011 69 HB2 GLU 10 HB2 GLU 10 14.563 0.081 7.023 70 HB3 GLU 10 HB3 GLU 10 14.370 -0.740 8.565 71 HG2 GLU 10 HG2 GLU 10 12.006 -0.912 8.252 72 HG3 GLU 10 HG3 GLU 10 12.077 0.097 6.809 73 H LEU 11 H LEU 11 15.237 2.952 7.366 74 HA LEU 11 HA LEU 11 13.110 4.423 6.056 75 HB2 LEU 11 HB2 LEU 11 15.108 5.602 6.860 76 HB3 LEU 11 HB3 LEU 11 16.117 4.634 5.806 77 HG LEU 11 HG LEU 11 14.935 5.636 3.849 78 HD11 LEU 11 HD11 LEU 11 13.717 7.416 5.954 79 HD12 LEU 11 HD12 LEU 11 12.857 6.263 4.931 80 HD13 LEU 11 HD13 LEU 11 13.627 7.679 4.212 81 HD21 LEU 11 HD21 LEU 11 16.079 7.778 3.968 82 HD22 LEU 11 HD22 LEU 11 17.090 6.496 4.636 83 HD23 LEU 11 HD23 LEU 11 16.246 7.607 5.715 84 H LYS 12 H LYS 12 12.146 3.343 4.466 85 HA LYS 12 HA LYS 12 13.854 1.774 2.651 86 HB2 LYS 12 HB2 LYS 12 12.049 0.643 4.291 87 HB3 LYS 12 HB3 LYS 12 10.997 1.023 2.934 88 HG2 LYS 12 HG2 LYS 12 12.516 -0.201 1.437 89 HG3 LYS 12 HG3 LYS 12 13.508 -0.634 2.830 90 HD2 LYS 12 HD2 LYS 12 11.426 -1.685 3.815 91 HD3 LYS 12 HD3 LYS 12 10.680 -1.473 2.228 92 HE2 LYS 12 HE2 LYS 12 11.545 -3.688 2.309 93 HE3 LYS 12 HE3 LYS 12 12.603 -2.750 1.255 94 HZ1 LYS 12 HZ1 LYS 12 13.989 -2.416 3.370 95 HZ2 LYS 12 HZ2 LYS 12 14.064 -3.915 2.595 96 HZ3 LYS 12 HZ3 LYS 12 13.120 -3.733 3.989 97 H GLU 13 H GLU 13 13.427 1.879 0.491 98 HA GLU 13 HA GLU 13 11.858 4.168 -0.342 99 HB2 GLU 13 HB2 GLU 13 12.862 3.722 -2.572 100 HB3 GLU 13 HB3 GLU 13 14.050 3.982 -1.303 101 HG2 GLU 13 HG2 GLU 13 14.351 1.543 -1.124 102 HG3 GLU 13 HG3 GLU 13 13.221 1.334 -2.463 103 H LEU 14 H LEU 14 10.306 4.079 -1.976 104 HA LEU 14 HA LEU 14 8.718 1.649 -2.021 105 HB2 LEU 14 HB2 LEU 14 8.216 4.311 -3.360 106 HB3 LEU 14 HB3 LEU 14 7.052 3.016 -3.147 107 HG LEU 14 HG LEU 14 8.322 4.544 -0.875 108 HD11 LEU 14 HD11 LEU 14 6.909 6.001 -2.221 109 HD12 LEU 14 HD12 LEU 14 6.174 5.666 -0.654 110 HD13 LEU 14 HD13 LEU 14 5.588 4.842 -2.098 111 HD21 LEU 14 HD21 LEU 14 7.604 2.286 -0.281 112 HD22 LEU 14 HD22 LEU 14 6.005 2.614 -0.950 113 HD23 LEU 14 HD23 LEU 14 6.566 3.500 0.468 114 H ALA 15 H ALA 15 8.297 0.452 -3.881 115 HA ALA 15 HA ALA 15 10.340 0.743 -5.949 116 HB1 ALA 15 HB1 ALA 15 8.522 -1.586 -5.350 117 HB2 ALA 15 HB2 ALA 15 10.188 -1.409 -4.798 118 HB3 ALA 15 HB3 ALA 15 9.843 -1.567 -6.521 119 HA PRO 16 HA PRO 16 7.293 1.911 -8.982 120 HB2 PRO 16 HB2 PRO 16 9.091 1.072 -11.086 121 HB3 PRO 16 HB3 PRO 16 8.703 2.712 -10.564 122 HG2 PRO 16 HG2 PRO 16 11.154 1.547 -10.221 123 HG3 PRO 16 HG3 PRO 16 10.521 2.835 -9.181 124 HD2 PRO 16 HD2 PRO 16 10.607 -0.122 -8.703 125 HD3 PRO 16 HD3 PRO 16 10.917 1.215 -7.572 126 H VAL 17 H VAL 17 5.634 0.477 -8.950 127 HA VAL 17 HA VAL 17 6.027 -2.071 -10.395 128 HB VAL 17 HB VAL 17 4.199 -1.558 -8.031 129 HG11 VAL 17 HG11 VAL 17 4.816 -4.110 -9.502 130 HG12 VAL 17 HG12 VAL 17 3.289 -3.230 -9.522 131 HG13 VAL 17 HG13 VAL 17 3.853 -3.982 -8.030 132 HG21 VAL 17 HG21 VAL 17 5.701 -3.041 -6.776 133 HG22 VAL 17 HG22 VAL 17 6.512 -1.571 -7.316 134 HG23 VAL 17 HG23 VAL 17 6.790 -3.094 -8.162 135 HA PRO 18 HA PRO 18 2.482 -0.678 -12.828 136 HB2 PRO 18 HB2 PRO 18 2.126 -3.502 -13.536 137 HB3 PRO 18 HB3 PRO 18 2.515 -2.133 -14.581 138 HG2 PRO 18 HG2 PRO 18 4.309 -4.065 -14.016 139 HG3 PRO 18 HG3 PRO 18 4.784 -2.377 -14.279 140 HD2 PRO 18 HD2 PRO 18 4.454 -3.874 -11.706 141 HD3 PRO 18 HD3 PRO 18 5.713 -2.713 -12.179 142 H ALA 19 H ALA 19 0.712 -0.220 -11.625 143 HA ALA 19 HA ALA 19 -0.687 -2.449 -10.330 144 HB1 ALA 19 HB1 ALA 19 0.823 -1.455 -8.664 145 HB2 ALA 19 HB2 ALA 19 -0.874 -1.227 -8.240 146 HB3 ALA 19 HB3 ALA 19 0.055 0.112 -8.917 147 H LEU 20 H LEU 20 -2.828 -2.355 -10.619 148 HA LEU 20 HA LEU 20 -3.984 0.152 -11.572 149 HB2 LEU 20 HB2 LEU 20 -5.947 -1.086 -12.169 150 HB3 LEU 20 HB3 LEU 20 -4.553 -1.956 -12.766 151 HG LEU 20 HG LEU 20 -4.841 -3.364 -10.568 152 HD11 LEU 20 HD11 LEU 20 -7.608 -2.227 -10.965 153 HD12 LEU 20 HD12 LEU 20 -6.572 -1.990 -9.557 154 HD13 LEU 20 HD13 LEU 20 -7.204 -3.595 -9.926 155 HD21 LEU 20 HD21 LEU 20 -6.278 -4.904 -11.787 156 HD22 LEU 20 HD22 LEU 20 -5.069 -4.201 -12.860 157 HD23 LEU 20 HD23 LEU 20 -6.732 -3.617 -12.903 158 H LEU 21 H LEU 21 -5.656 1.201 -10.474 159 HA LEU 21 HA LEU 21 -6.457 0.291 -7.874 160 HB2 LEU 21 HB2 LEU 21 -5.489 2.431 -6.797 161 HB3 LEU 21 HB3 LEU 21 -4.443 1.048 -7.038 162 HG LEU 21 HG LEU 21 -3.675 2.197 -9.190 163 HD11 LEU 21 HD11 LEU 21 -3.900 4.620 -9.264 164 HD12 LEU 21 HD12 LEU 21 -4.949 4.575 -7.847 165 HD13 LEU 21 HD13 LEU 21 -5.476 3.834 -9.358 166 HD21 LEU 21 HD21 LEU 21 -3.054 3.475 -6.532 167 HD22 LEU 21 HD22 LEU 21 -2.062 3.578 -7.986 168 HD23 LEU 21 HD23 LEU 21 -2.299 2.022 -7.189 169 H ILE 22 H ILE 22 -8.070 1.555 -6.934 170 HA ILE 22 HA ILE 22 -9.208 3.604 -8.688 171 HB ILE 22 HB ILE 22 -10.811 1.876 -8.142 172 HG12 ILE 22 HG12 ILE 22 -11.371 4.383 -6.547 173 HG13 ILE 22 HG13 ILE 22 -11.645 4.178 -8.274 174 HG21 ILE 22 HG21 ILE 22 -9.834 0.989 -6.123 175 HG22 ILE 22 HG22 ILE 22 -11.516 1.430 -5.829 176 HG23 ILE 22 HG23 ILE 22 -10.217 2.473 -5.252 177 HD11 ILE 22 HD11 ILE 22 -13.028 2.633 -6.092 178 HD12 ILE 22 HD12 ILE 22 -13.323 2.486 -7.824 179 HD13 ILE 22 HD13 ILE 22 -13.709 3.991 -6.989 180 H ARG 23 H ARG 23 -8.501 5.582 -8.189 181 HA ARG 23 HA ARG 23 -7.626 6.174 -5.499 182 HB2 ARG 23 HB2 ARG 23 -6.374 7.072 -7.401 183 HB3 ARG 23 HB3 ARG 23 -7.804 7.935 -7.954 184 HG2 ARG 23 HG2 ARG 23 -7.792 9.262 -5.907 185 HG3 ARG 23 HG3 ARG 23 -6.351 8.404 -5.363 186 HD2 ARG 23 HD2 ARG 23 -6.462 9.928 -7.949 187 HD3 ARG 23 HD3 ARG 23 -6.000 10.675 -6.424 188 HE ARG 23 HE ARG 23 -4.527 8.360 -7.517 189 HH11 ARG 23 HH11 ARG 23 -4.607 11.509 -5.986 190 HH12 ARG 23 HH12 ARG 23 -2.892 11.760 -6.131 191 HH21 ARG 23 HH21 ARG 23 -2.261 8.669 -7.667 192 HH22 ARG 23 HH22 ARG 23 -1.558 10.153 -7.081 193 H THR 24 H THR 24 -9.253 6.319 -4.091 194 HA THR 24 HA THR 24 -11.465 8.126 -4.761 195 HB THR 24 HB THR 24 -12.254 5.821 -4.979 196 HG1 THR 24 HG1 THR 24 -14.066 6.498 -4.165 197 HG21 THR 24 HG21 THR 24 -11.439 5.527 -2.087 198 HG22 THR 24 HG22 THR 24 -10.740 4.683 -3.468 199 HG23 THR 24 HG23 THR 24 -12.407 4.363 -2.995 200 H GLN 25 H GLN 25 -12.030 9.560 -3.179 201 HA GLN 25 HA GLN 25 -10.357 9.564 -0.801 202 HB2 GLN 25 HB2 GLN 25 -11.063 11.830 -0.440 203 HB3 GLN 25 HB3 GLN 25 -10.630 11.654 -2.130 204 HG2 GLN 25 HG2 GLN 25 -13.445 11.639 -1.067 205 HG3 GLN 25 HG3 GLN 25 -12.631 13.043 -1.746 206 HE21 GLN 25 HE21 GLN 25 -15.051 11.721 -2.594 207 HE22 GLN 25 HE22 GLN 25 -14.801 11.238 -4.236 208 H THR 26 H THR 26 -11.018 9.109 1.188 209 HA THR 26 HA THR 26 -13.859 8.778 1.754 210 HB THR 26 HB THR 26 -13.255 6.475 2.774 211 HG1 THR 26 HG1 THR 26 -11.237 6.655 0.771 212 HG21 THR 26 HG21 THR 26 -13.417 6.815 -0.224 213 HG22 THR 26 HG22 THR 26 -14.785 6.745 0.887 214 HG23 THR 26 HG23 THR 26 -13.759 5.328 0.659 215 H ALA 27 H ALA 27 -14.042 7.883 4.125 216 HA ALA 27 HA ALA 27 -12.248 9.551 5.756 217 HB1 ALA 27 HB1 ALA 27 -15.009 8.517 6.389 218 HB2 ALA 27 HB2 ALA 27 -14.617 10.149 5.844 219 HB3 ALA 27 HB3 ALA 27 -14.038 9.578 7.410 220 H MET 28 H MET 28 -11.987 8.712 8.073 221 HA MET 28 HA MET 28 -10.739 6.158 7.931 222 HB2 MET 28 HB2 MET 28 -11.280 8.037 10.224 223 HB3 MET 28 HB3 MET 28 -10.504 6.475 10.460 224 HG2 MET 28 HG2 MET 28 -8.732 7.133 8.896 225 HG3 MET 28 HG3 MET 28 -9.498 8.709 8.711 226 HE1 MET 28 HE1 MET 28 -8.972 10.378 12.154 227 HE2 MET 28 HE2 MET 28 -10.411 9.549 11.564 228 HE3 MET 28 HE3 MET 28 -9.486 10.590 10.480 229 H SER 29 H SER 29 -13.824 7.285 9.175 230 HA SER 29 HA SER 29 -14.553 4.608 10.044 231 HB2 SER 29 HB2 SER 29 -16.225 7.130 9.915 232 HB3 SER 29 HB3 SER 29 -16.666 5.628 10.730 233 HG SER 29 HG SER 29 -14.832 7.604 11.466 234 H GLU 30 H GLU 30 -13.948 4.136 7.656 235 HA GLU 30 HA GLU 30 -16.208 3.419 6.169 236 HB2 GLU 30 HB2 GLU 30 -16.477 5.790 5.711 237 HB3 GLU 30 HB3 GLU 30 -14.791 5.928 5.238 238 HG2 GLU 30 HG2 GLU 30 -15.183 4.578 3.282 239 HG3 GLU 30 HG3 GLU 30 -16.852 4.294 3.776 240 H LEU 31 H LEU 31 -12.853 4.377 6.167 241 HA LEU 31 HA LEU 31 -11.818 3.132 3.966 242 HB2 LEU 31 HB2 LEU 31 -10.486 4.575 5.300 243 HB3 LEU 31 HB3 LEU 31 -10.688 3.569 6.717 244 HG LEU 31 HG LEU 31 -9.320 2.303 4.413 245 HD11 LEU 31 HD11 LEU 31 -7.184 3.368 5.006 246 HD12 LEU 31 HD12 LEU 31 -8.042 4.468 6.085 247 HD13 LEU 31 HD13 LEU 31 -8.338 4.526 4.346 248 HD21 LEU 31 HD21 LEU 31 -9.638 1.115 6.516 249 HD22 LEU 31 HD22 LEU 31 -8.814 2.406 7.389 250 HD23 LEU 31 HD23 LEU 31 -7.924 1.416 6.233 251 H GLY 32 H GLY 32 -12.636 1.626 7.063 252 HA2 GLY 32 HA2 GLY 32 -11.294 -0.821 6.619 253 HA3 GLY 32 HA3 GLY 32 -12.606 -0.562 7.759 254 H SER 33 H SER 33 -14.744 -0.005 6.299 255 HA SER 33 HA SER 33 -15.485 -2.508 5.213 256 HB2 SER 33 HB2 SER 33 -16.880 0.169 4.937 257 HB3 SER 33 HB3 SER 33 -17.611 -1.417 4.677 258 HG SER 33 HG SER 33 -16.541 -1.542 7.052 259 H LEU 34 H LEU 34 -14.273 0.445 3.810 260 HA LEU 34 HA LEU 34 -14.977 -0.019 1.126 261 HB2 LEU 34 HB2 LEU 34 -14.192 2.146 2.024 262 HB3 LEU 34 HB3 LEU 34 -12.587 1.467 2.219 263 HG LEU 34 HG LEU 34 -12.515 1.103 -0.258 264 HD11 LEU 34 HD11 LEU 34 -14.119 2.355 -1.638 265 HD12 LEU 34 HD12 LEU 34 -15.043 2.745 -0.186 266 HD13 LEU 34 HD13 LEU 34 -14.896 1.067 -0.713 267 HD21 LEU 34 HD21 LEU 34 -11.435 3.020 0.798 268 HD22 LEU 34 HD22 LEU 34 -12.933 3.941 0.664 269 HD23 LEU 34 HD23 LEU 34 -12.074 3.438 -0.792 270 H PHE 35 H PHE 35 -11.969 -0.748 2.907 271 HA PHE 35 HA PHE 35 -10.605 -1.887 0.734 272 HB2 PHE 35 HB2 PHE 35 -10.281 -2.186 3.708 273 HB3 PHE 35 HB3 PHE 35 -9.261 -3.073 2.579 274 HD1 PHE 35 HD2 PHE 35 -9.407 -0.629 0.543 275 HD2 PHE 35 HD1 PHE 35 -8.301 -1.084 4.627 276 HE1 PHE 35 HE2 PHE 35 -7.916 1.318 0.350 277 HE2 PHE 35 HE1 PHE 35 -6.809 0.862 4.440 278 HZ PHE 35 HZ PHE 35 -6.612 2.064 2.302 279 H GLU 36 H GLU 36 -12.626 -3.391 3.226 280 HA GLU 36 HA GLU 36 -12.224 -6.059 2.641 281 HB2 GLU 36 HB2 GLU 36 -14.759 -4.663 3.502 282 HB3 GLU 36 HB3 GLU 36 -14.569 -6.410 3.470 283 HG2 GLU 36 HG2 GLU 36 -12.939 -4.494 5.121 284 HG3 GLU 36 HG3 GLU 36 -14.254 -5.512 5.708 285 H ALA 37 H ALA 37 -14.760 -3.969 1.267 286 HA ALA 37 HA ALA 37 -15.659 -5.969 -0.556 287 HB1 ALA 37 HB1 ALA 37 -17.081 -4.216 -1.469 288 HB2 ALA 37 HB2 ALA 37 -16.191 -3.002 -0.551 289 HB3 ALA 37 HB3 ALA 37 -17.143 -4.224 0.293 290 H GLY 38 H GLY 38 -13.293 -3.415 -0.699 291 HA2 GLY 38 HA2 GLY 38 -13.132 -3.239 -3.535 292 HA3 GLY 38 HA3 GLY 38 -11.940 -2.644 -2.390 293 H TYR 39 H TYR 39 -11.365 -5.146 -1.128 294 HA TYR 39 HA TYR 39 -9.541 -6.225 -3.063 295 HB2 TYR 39 HB2 TYR 39 -10.234 -7.154 -0.265 296 HB3 TYR 39 HB3 TYR 39 -8.950 -7.843 -1.254 297 HD1 TYR 39 HD2 TYR 39 -7.767 -5.408 -2.436 298 HD2 TYR 39 HD1 TYR 39 -9.116 -6.162 1.526 299 HE1 TYR 39 HE2 TYR 39 -6.198 -3.716 -1.587 300 HE2 TYR 39 HE1 TYR 39 -7.554 -4.473 2.386 301 HH TYR 39 HH TYR 39 -5.892 -2.289 0.342 302 H HIS 40 H HIS 40 -12.653 -7.130 -1.781 303 HA HIS 40 HA HIS 40 -12.617 -9.812 -2.745 304 HB2 HIS 40 HB2 HIS 40 -14.060 -9.058 -0.870 305 HB3 HIS 40 HB3 HIS 40 -15.006 -8.108 -2.013 306 HD1 HIS 40 HD1 HIS 40 -16.841 -9.285 -3.246 307 HD2 HIS 40 HD2 HIS 40 -14.264 -11.917 -1.307 308 HE1 HIS 40 HE1 HIS 40 -17.901 -11.559 -3.457 309 HE2 HIS 40 HE2 HIS 40 -16.215 -13.155 -2.479 310 H ASP 41 H ASP 41 -14.178 -6.828 -3.913 311 HA ASP 41 HA ASP 41 -14.614 -8.181 -6.502 312 HB2 ASP 41 HB2 ASP 41 -16.189 -5.886 -5.301 313 HB3 ASP 41 HB3 ASP 41 -16.505 -6.647 -6.855 314 H ILE 42 H ILE 42 -12.818 -7.561 -7.645 315 HA ILE 42 HA ILE 42 -12.357 -4.674 -7.849 316 HB ILE 42 HB ILE 42 -10.650 -5.455 -6.377 317 HG12 ILE 42 HG12 ILE 42 -8.601 -4.922 -7.690 318 HG13 ILE 42 HG13 ILE 42 -9.559 -5.023 -9.164 319 HG21 ILE 42 HG21 ILE 42 -9.952 -7.519 -8.456 320 HG22 ILE 42 HG22 ILE 42 -10.696 -7.824 -6.885 321 HG23 ILE 42 HG23 ILE 42 -9.046 -7.204 -6.976 322 HD11 ILE 42 HD11 ILE 42 -10.943 -3.169 -8.389 323 HD12 ILE 42 HD12 ILE 42 -9.240 -2.717 -8.470 324 HD13 ILE 42 HD13 ILE 42 -9.987 -3.070 -6.911 325 H LEU 43 H LEU 43 -13.241 -4.382 -9.785 326 HA LEU 43 HA LEU 43 -13.257 -4.065 -12.010 327 HB2 LEU 43 HB2 LEU 43 -10.438 -4.934 -11.608 328 HB3 LEU 43 HB3 LEU 43 -11.048 -4.709 -13.235 329 HG LEU 43 HG LEU 43 -10.852 -2.623 -11.068 330 HD11 LEU 43 HD11 LEU 43 -8.765 -3.165 -12.227 331 HD12 LEU 43 HD12 LEU 43 -9.328 -1.541 -12.620 332 HD13 LEU 43 HD13 LEU 43 -9.549 -2.855 -13.774 333 HD21 LEU 43 HD21 LEU 43 -12.926 -2.302 -12.303 334 HD22 LEU 43 HD22 LEU 43 -12.048 -2.406 -13.830 335 HD23 LEU 43 HD23 LEU 43 -11.751 -1.059 -12.731 336 H GLN 44 H GLN 44 -14.604 -5.168 -13.189 337 HA GLN 44 HA GLN 44 -14.468 -7.941 -13.744 338 HB2 GLN 44 HB2 GLN 44 -15.755 -5.656 -15.248 339 HB3 GLN 44 HB3 GLN 44 -15.946 -7.342 -15.704 340 HG2 GLN 44 HG2 GLN 44 -17.024 -7.829 -13.604 341 HG3 GLN 44 HG3 GLN 44 -16.743 -6.178 -13.048 342 HE21 GLN 44 HE21 GLN 44 -18.951 -5.841 -12.752 343 HE22 GLN 44 HE22 GLN 44 -20.029 -5.600 -14.091 344 H LEU 45 H LEU 45 -12.609 -5.313 -14.777 345 HA LEU 45 HA LEU 45 -11.741 -6.292 -17.302 346 HB2 LEU 45 HB2 LEU 45 -10.525 -4.341 -15.349 347 HB3 LEU 45 HB3 LEU 45 -9.757 -4.756 -16.866 348 HG LEU 45 HG LEU 45 -10.870 -2.661 -17.119 349 HD11 LEU 45 HD11 LEU 45 -12.424 -4.843 -18.483 350 HD12 LEU 45 HD12 LEU 45 -10.929 -4.096 -19.049 351 HD13 LEU 45 HD13 LEU 45 -12.411 -3.145 -18.955 352 HD21 LEU 45 HD21 LEU 45 -13.294 -2.409 -16.826 353 HD22 LEU 45 HD22 LEU 45 -12.466 -2.792 -15.316 354 HD23 LEU 45 HD23 LEU 45 -13.370 -4.044 -16.168 355 H LEU 46 H LEU 46 -10.369 -6.395 -14.033 356 HA LEU 46 HA LEU 46 -8.108 -7.972 -14.810 357 HB2 LEU 46 HB2 LEU 46 -8.228 -6.388 -12.846 358 HB3 LEU 46 HB3 LEU 46 -9.232 -7.567 -12.041 359 HG LEU 46 HG LEU 46 -7.400 -9.194 -12.094 360 HD11 LEU 46 HD11 LEU 46 -6.290 -8.464 -14.126 361 HD12 LEU 46 HD12 LEU 46 -5.155 -8.484 -12.775 362 HD13 LEU 46 HD13 LEU 46 -5.821 -6.953 -13.346 363 HD21 LEU 46 HD21 LEU 46 -5.951 -8.103 -10.469 364 HD22 LEU 46 HD22 LEU 46 -7.641 -7.695 -10.170 365 HD23 LEU 46 HD23 LEU 46 -6.576 -6.527 -10.953 366 H ALA 47 H ALA 47 -10.912 -8.592 -12.743 367 HA ALA 47 HA ALA 47 -10.390 -11.403 -12.596 368 HB1 ALA 47 HB1 ALA 47 -12.863 -9.873 -11.806 369 HB2 ALA 47 HB2 ALA 47 -11.470 -10.187 -10.771 370 HB3 ALA 47 HB3 ALA 47 -12.469 -11.526 -11.338 371 H GLY 48 H GLY 48 -11.546 -9.642 -15.113 372 HA2 GLY 48 HA2 GLY 48 -13.247 -11.868 -16.051 373 HA3 GLY 48 HA3 GLY 48 -13.478 -10.194 -16.532 374 H GLN 49 H GLN 49 -10.247 -10.452 -16.479 375 HA GLN 49 HA GLN 49 -10.128 -11.074 -19.332 376 HB2 GLN 49 HB2 GLN 49 -9.102 -8.971 -18.464 377 HB3 GLN 49 HB3 GLN 49 -7.967 -9.943 -17.541 378 HG2 GLN 49 HG2 GLN 49 -6.965 -10.793 -19.532 379 HG3 GLN 49 HG3 GLN 49 -8.215 -10.061 -20.536 380 HE21 GLN 49 HE21 GLN 49 -8.149 -7.859 -20.947 381 HE22 GLN 49 HE22 GLN 49 -6.751 -6.900 -20.612 382 H GLY 50 H GLY 50 -9.725 -12.590 -16.409 383 HA2 GLY 50 HA2 GLY 50 -9.203 -14.817 -16.042 384 HA3 GLY 50 HA3 GLY 50 -8.636 -14.923 -17.701 385 H LYS 51 H LYS 51 -7.594 -12.793 -15.044 386 HA LYS 51 HA LYS 51 -5.080 -14.232 -14.878 387 HB2 LYS 51 HB2 LYS 51 -3.701 -12.280 -15.280 388 HB3 LYS 51 HB3 LYS 51 -4.698 -12.624 -16.683 389 HG2 LYS 51 HG2 LYS 51 -6.312 -10.880 -15.689 390 HG3 LYS 51 HG3 LYS 51 -4.920 -10.387 -14.719 391 HD2 LYS 51 HD2 LYS 51 -5.115 -10.466 -17.723 392 HD3 LYS 51 HD3 LYS 51 -5.001 -9.038 -16.695 393 HE2 LYS 51 HE2 LYS 51 -2.767 -9.671 -16.015 394 HE3 LYS 51 HE3 LYS 51 -2.878 -11.160 -16.949 395 HZ1 LYS 51 HZ1 LYS 51 -1.638 -9.320 -18.064 396 HZ2 LYS 51 HZ2 LYS 51 -3.094 -8.462 -18.171 397 HZ3 LYS 51 HZ3 LYS 51 -2.929 -9.952 -18.966 398 H SER 52 H SER 52 -3.641 -13.114 -13.185 399 HA SER 52 HA SER 52 -5.353 -12.167 -10.986 400 HB2 SER 52 HB2 SER 52 -3.149 -14.230 -10.718 401 HB3 SER 52 HB3 SER 52 -4.247 -13.684 -9.452 402 HG SER 52 HG SER 52 -5.730 -14.997 -10.170 403 HA PRO 53 HA PRO 53 -2.160 -9.149 -10.152 404 HB2 PRO 53 HB2 PRO 53 -2.501 -9.862 -7.292 405 HB3 PRO 53 HB3 PRO 53 -2.640 -8.288 -8.083 406 HG2 PRO 53 HG2 PRO 53 -4.810 -9.595 -7.252 407 HG3 PRO 53 HG3 PRO 53 -4.819 -8.677 -8.769 408 HD2 PRO 53 HD2 PRO 53 -4.607 -11.632 -8.344 409 HD3 PRO 53 HD3 PRO 53 -5.502 -10.733 -9.586 410 H SER 54 H SER 54 0.017 -9.179 -9.874 411 HA SER 54 HA SER 54 1.213 -11.805 -9.677 412 HB2 SER 54 HB2 SER 54 1.872 -10.149 -11.431 413 HB3 SER 54 HB3 SER 54 2.554 -9.133 -10.165 414 HG SER 54 HG SER 54 3.639 -11.425 -9.728 415 H GLY 55 H GLY 55 0.278 -9.721 -7.393 416 HA2 GLY 55 HA2 GLY 55 2.001 -10.860 -5.412 417 HA3 GLY 55 HA3 GLY 55 2.346 -9.157 -5.692 418 HA PRO 56 HA PRO 56 -1.190 -9.564 -2.627 419 HB2 PRO 56 HB2 PRO 56 0.611 -8.155 -0.796 420 HB3 PRO 56 HB3 PRO 56 -0.278 -9.659 -0.549 421 HG2 PRO 56 HG2 PRO 56 2.401 -9.607 -0.810 422 HG3 PRO 56 HG3 PRO 56 1.419 -10.959 -1.408 423 HD2 PRO 56 HD2 PRO 56 2.603 -8.660 -2.925 424 HD3 PRO 56 HD3 PRO 56 2.539 -10.383 -3.359 425 HA PRO 57 HA PRO 57 -2.298 -5.383 -3.527 426 HB2 PRO 57 HB2 PRO 57 -4.239 -5.394 -1.363 427 HB3 PRO 57 HB3 PRO 57 -4.517 -5.469 -3.103 428 HG2 PRO 57 HG2 PRO 57 -4.996 -7.561 -1.431 429 HG3 PRO 57 HG3 PRO 57 -4.542 -7.762 -3.133 430 HD2 PRO 57 HD2 PRO 57 -2.844 -7.996 -0.676 431 HD3 PRO 57 HD3 PRO 57 -2.857 -9.006 -2.140 432 H PHE 58 H PHE 58 -1.609 -3.413 -2.951 433 HA PHE 58 HA PHE 58 -0.897 -2.990 -0.133 434 HB2 PHE 58 HB2 PHE 58 0.939 -1.474 -0.973 435 HB3 PHE 58 HB3 PHE 58 1.183 -3.188 -1.276 436 HD1 PHE 58 HD2 PHE 58 0.858 -4.081 -3.577 437 HD2 PHE 58 HD1 PHE 58 0.797 0.091 -2.738 438 HE1 PHE 58 HE2 PHE 58 1.225 -3.602 -5.961 439 HE2 PHE 58 HE1 PHE 58 1.165 0.578 -5.121 440 HZ PHE 58 HZ PHE 58 1.381 -1.268 -6.735 441 H ALA 59 H ALA 59 -1.979 -1.432 0.796 442 HA ALA 59 HA ALA 59 -3.621 0.294 -0.887 443 HB1 ALA 59 HB1 ALA 59 -3.764 -0.199 2.086 444 HB2 ALA 59 HB2 ALA 59 -4.735 -1.021 0.864 445 HB3 ALA 59 HB3 ALA 59 -4.925 0.714 1.123 446 H ARG 60 H ARG 60 -2.755 2.156 -1.404 447 HA ARG 60 HA ARG 60 -1.078 3.554 0.578 448 HB2 ARG 60 HB2 ARG 60 -0.407 4.911 -1.538 449 HB3 ARG 60 HB3 ARG 60 0.259 3.299 -1.321 450 HG2 ARG 60 HG2 ARG 60 -1.266 2.372 -2.905 451 HG3 ARG 60 HG3 ARG 60 -2.164 3.888 -3.003 452 HD2 ARG 60 HD2 ARG 60 0.751 3.754 -3.702 453 HD3 ARG 60 HD3 ARG 60 -0.490 3.324 -4.878 454 HE ARG 60 HE ARG 60 -1.402 5.653 -4.392 455 HH11 ARG 60 HH11 ARG 60 2.019 4.860 -4.226 456 HH12 ARG 60 HH12 ARG 60 2.530 6.484 -4.595 457 HH21 ARG 60 HH21 ARG 60 -0.744 7.732 -4.881 458 HH22 ARG 60 HH22 ARG 60 0.949 8.128 -4.945 459 H TYR 61 H TYR 61 -1.688 5.564 1.279 460 HA TYR 61 HA TYR 61 -3.930 6.797 -0.143 461 HB2 TYR 61 HB2 TYR 61 -4.942 7.534 1.968 462 HB3 TYR 61 HB3 TYR 61 -4.902 5.786 1.823 463 HD1 TYR 61 HD1 TYR 61 -3.588 8.691 3.638 464 HD2 TYR 61 HD2 TYR 61 -3.575 4.445 3.343 465 HE1 TYR 61 HE1 TYR 61 -2.604 8.544 5.888 466 HE2 TYR 61 HE2 TYR 61 -2.584 4.286 5.587 467 HH TYR 61 HH TYR 61 -1.436 5.533 7.190 468 H PHE 62 H PHE 62 -3.871 8.913 -0.444 469 HA PHE 62 HA PHE 62 -1.411 10.275 0.406 470 HB2 PHE 62 HB2 PHE 62 -1.699 9.946 -2.039 471 HB3 PHE 62 HB3 PHE 62 -3.199 10.862 -1.967 472 HD1 PHE 62 HD1 PHE 62 0.409 11.196 -1.095 473 HD2 PHE 62 HD2 PHE 62 -3.140 13.110 -2.458 474 HE1 PHE 62 HE1 PHE 62 1.674 13.273 -1.465 475 HE2 PHE 62 HE2 PHE 62 -1.880 15.190 -2.829 476 HZ PHE 62 HZ PHE 62 0.529 15.274 -2.331 477 H GLY 63 H GLY 63 -1.525 12.059 1.571 478 HA2 GLY 63 HA2 GLY 63 -2.774 14.176 1.995 479 HA3 GLY 63 HA3 GLY 63 -4.203 13.158 2.147 480 H MET 64 H MET 64 -1.963 14.804 3.873 481 HA MET 64 HA MET 64 -1.355 13.056 5.990 482 HB2 MET 64 HB2 MET 64 -1.591 16.072 5.983 483 HB3 MET 64 HB3 MET 64 -0.926 15.130 7.310 484 HG2 MET 64 HG2 MET 64 0.937 15.899 6.128 485 HG3 MET 64 HG3 MET 64 0.750 14.221 5.628 486 HE1 MET 64 HE1 MET 64 0.362 17.977 4.632 487 HE2 MET 64 HE2 MET 64 -1.302 17.409 4.488 488 HE3 MET 64 HE3 MET 64 -0.402 17.873 3.045 489 H SER 65 H SER 65 -2.150 13.512 8.293 490 HA SER 65 HA SER 65 -4.614 12.371 8.528 491 HB2 SER 65 HB2 SER 65 -4.580 13.249 10.915 492 HB3 SER 65 HB3 SER 65 -3.163 12.332 10.403 493 HG SER 65 HG SER 65 -3.256 15.148 10.192 494 H ALA 66 H ALA 66 -6.516 13.014 7.894 495 HA ALA 66 HA ALA 66 -7.558 15.594 8.704 496 HB1 ALA 66 HB1 ALA 66 -8.290 16.205 6.449 497 HB2 ALA 66 HB2 ALA 66 -7.471 14.788 5.791 498 HB3 ALA 66 HB3 ALA 66 -6.532 16.084 6.531 499 H GLY 67 H GLY 67 -9.942 15.641 7.502 500 HA2 GLY 67 HA2 GLY 67 -11.338 13.457 8.702 501 HA3 GLY 67 HA3 GLY 67 -12.050 14.732 7.721 502 H THR 68 H THR 68 -11.091 14.509 5.317 503 HA THR 68 HA THR 68 -11.507 11.704 4.515 504 HB THR 68 HB THR 68 -12.224 14.178 2.929 505 HG1 THR 68 HG1 THR 68 -13.736 14.098 4.512 506 HG21 THR 68 HG21 THR 68 -12.864 11.263 2.472 507 HG22 THR 68 HG22 THR 68 -11.725 12.232 1.537 508 HG23 THR 68 HG23 THR 68 -13.448 12.609 1.494 509 H PHE 69 H PHE 69 -9.895 10.790 3.425 510 HA PHE 69 HA PHE 69 -7.890 12.517 2.143 511 HB2 PHE 69 HB2 PHE 69 -6.204 10.700 2.814 512 HB3 PHE 69 HB3 PHE 69 -6.761 11.793 4.076 513 HD1 PHE 69 HD1 PHE 69 -8.251 11.007 5.832 514 HD2 PHE 69 HD2 PHE 69 -6.783 8.365 2.838 515 HE1 PHE 69 HE1 PHE 69 -8.928 9.082 7.206 516 HE2 PHE 69 HE2 PHE 69 -7.460 6.436 4.206 517 HZ PHE 69 HZ PHE 69 -8.534 6.793 6.393 518 H GLU 70 H GLU 70 -6.455 11.084 0.600 519 HA GLU 70 HA GLU 70 -8.500 9.829 -1.113 520 HB2 GLU 70 HB2 GLU 70 -7.242 11.974 -1.757 521 HB3 GLU 70 HB3 GLU 70 -5.846 10.938 -2.001 522 HG2 GLU 70 HG2 GLU 70 -6.909 9.772 -3.763 523 HG3 GLU 70 HG3 GLU 70 -8.467 10.521 -3.407 524 H VAL 71 H VAL 71 -8.407 7.657 -1.196 525 HA VAL 71 HA VAL 71 -5.813 6.385 -0.627 526 HB VAL 71 HB VAL 71 -6.990 4.423 0.137 527 HG11 VAL 71 HG11 VAL 71 -8.184 5.335 2.080 528 HG12 VAL 71 HG12 VAL 71 -8.177 6.926 1.321 529 HG13 VAL 71 HG13 VAL 71 -6.655 6.165 1.784 530 HG21 VAL 71 HG21 VAL 71 -9.423 4.296 0.250 531 HG22 VAL 71 HG22 VAL 71 -8.877 4.468 -1.419 532 HG23 VAL 71 HG23 VAL 71 -9.552 5.856 -0.564 533 H GLU 72 H GLU 72 -5.096 4.649 -1.809 534 HA GLU 72 HA GLU 72 -6.555 3.970 -4.272 535 HB2 GLU 72 HB2 GLU 72 -3.565 4.411 -4.043 536 HB3 GLU 72 HB3 GLU 72 -4.423 3.901 -5.492 537 HG2 GLU 72 HG2 GLU 72 -5.578 6.015 -5.601 538 HG3 GLU 72 HG3 GLU 72 -4.845 6.527 -4.084 539 H PHE 73 H PHE 73 -6.909 1.856 -4.396 540 HA PHE 73 HA PHE 73 -6.155 0.129 -2.312 541 HB2 PHE 73 HB2 PHE 73 -7.546 -0.290 -4.933 542 HB3 PHE 73 HB3 PHE 73 -7.132 -1.663 -3.911 543 HD1 PHE 73 HD1 PHE 73 -8.738 1.696 -3.611 544 HD2 PHE 73 HD2 PHE 73 -8.715 -2.392 -2.436 545 HE1 PHE 73 HE1 PHE 73 -10.778 2.069 -2.293 546 HE2 PHE 73 HE2 PHE 73 -10.755 -2.026 -1.111 547 HZ PHE 73 HZ PHE 73 -11.789 0.205 -1.040 548 H GLY 74 H GLY 74 -4.891 0.452 -5.589 549 HA2 GLY 74 HA2 GLY 74 -2.884 -0.169 -6.481 550 HA3 GLY 74 HA3 GLY 74 -2.301 -0.216 -4.830 551 H PHE 75 H PHE 75 -3.825 -2.145 -7.384 552 HA PHE 75 HA PHE 75 -2.818 -4.559 -6.030 553 HB2 PHE 75 HB2 PHE 75 -4.706 -4.232 -8.378 554 HB3 PHE 75 HB3 PHE 75 -4.132 -5.786 -7.787 555 HD1 PHE 75 HD1 PHE 75 -6.129 -2.804 -6.887 556 HD2 PHE 75 HD2 PHE 75 -5.148 -6.838 -5.950 557 HE1 PHE 75 HE1 PHE 75 -8.002 -2.890 -5.296 558 HE2 PHE 75 HE2 PHE 75 -7.019 -6.925 -4.357 559 HZ PHE 75 HZ PHE 75 -8.447 -4.950 -4.029 560 HA PRO 76 HA PRO 76 0.504 -4.462 -8.928 561 HB2 PRO 76 HB2 PRO 76 1.447 -7.008 -8.088 562 HB3 PRO 76 HB3 PRO 76 1.955 -5.426 -7.496 563 HG2 PRO 76 HG2 PRO 76 0.577 -7.335 -6.015 564 HG3 PRO 76 HG3 PRO 76 0.702 -5.615 -5.614 565 HD2 PRO 76 HD2 PRO 76 -1.526 -7.099 -6.941 566 HD3 PRO 76 HD3 PRO 76 -1.595 -5.750 -5.784 567 H VAL 77 H VAL 77 0.373 -4.832 -11.030 568 HA VAL 77 HA VAL 77 -0.417 -7.524 -11.932 569 HB VAL 77 HB VAL 77 -1.259 -6.512 -14.010 570 HG11 VAL 77 HG11 VAL 77 -3.284 -5.476 -13.079 571 HG12 VAL 77 HG12 VAL 77 -2.492 -5.369 -11.508 572 HG13 VAL 77 HG13 VAL 77 -2.832 -6.946 -12.217 573 HG21 VAL 77 HG21 VAL 77 -0.659 -3.891 -12.645 574 HG22 VAL 77 HG22 VAL 77 -1.613 -4.065 -14.118 575 HG23 VAL 77 HG23 VAL 77 0.092 -4.515 -14.112 576 H GLU 78 H GLU 78 0.332 -7.372 -14.561 577 HA GLU 78 HA GLU 78 3.242 -7.187 -14.272 578 HB2 GLU 78 HB2 GLU 78 2.923 -8.444 -16.650 579 HB3 GLU 78 HB3 GLU 78 3.063 -9.269 -15.107 580 HG2 GLU 78 HG2 GLU 78 1.250 -10.199 -16.401 581 HG3 GLU 78 HG3 GLU 78 0.625 -9.406 -14.959 582 H GLY 79 H GLY 79 0.561 -5.960 -16.122 583 HA2 GLY 79 HA2 GLY 79 1.248 -3.508 -16.681 584 HA3 GLY 79 HA3 GLY 79 2.395 -4.325 -17.735 585 H GLY 80 H GLY 80 0.440 -6.500 -18.261 586 HA2 GLY 80 HA2 GLY 80 -0.880 -5.134 -20.475 587 HA3 GLY 80 HA3 GLY 80 -0.707 -6.873 -20.274 588 H VAL 81 H VAL 81 -2.111 -4.287 -18.293 589 HA VAL 81 HA VAL 81 -4.710 -5.655 -18.432 590 HB VAL 81 HB VAL 81 -3.646 -4.399 -15.896 591 HG11 VAL 81 HG11 VAL 81 -6.072 -4.469 -16.082 592 HG12 VAL 81 HG12 VAL 81 -5.495 -5.556 -14.818 593 HG13 VAL 81 HG13 VAL 81 -6.003 -6.207 -16.377 594 HG21 VAL 81 HG21 VAL 81 -2.284 -6.354 -16.422 595 HG22 VAL 81 HG22 VAL 81 -3.744 -7.332 -16.583 596 HG23 VAL 81 HG23 VAL 81 -3.308 -6.649 -15.016 597 H GLU 82 H GLU 82 -6.503 -4.212 -18.070 598 HA GLU 82 HA GLU 82 -5.842 -1.365 -18.291 599 HB2 GLU 82 HB2 GLU 82 -6.432 -2.230 -20.529 600 HB3 GLU 82 HB3 GLU 82 -7.965 -2.812 -19.894 601 HG2 GLU 82 HG2 GLU 82 -8.723 -0.587 -19.487 602 HG3 GLU 82 HG3 GLU 82 -7.136 0.078 -19.868 603 H GLY 83 H GLY 83 -7.423 0.044 -17.415 604 HA2 GLY 83 HA2 GLY 83 -9.223 -1.300 -15.512 605 HA3 GLY 83 HA3 GLY 83 -8.475 0.264 -15.235 606 H SER 84 H SER 84 -10.946 0.527 -14.779 607 HA SER 84 HA SER 84 -12.015 1.997 -17.008 608 HB2 SER 84 HB2 SER 84 -12.724 -0.431 -17.375 609 HB3 SER 84 HB3 SER 84 -13.704 -0.262 -15.921 610 HG SER 84 HG SER 84 -14.567 0.234 -18.212 611 H GLY 85 H GLY 85 -13.669 3.427 -16.377 612 HA2 GLY 85 HA2 GLY 85 -14.833 4.764 -14.915 613 HA3 GLY 85 HA3 GLY 85 -14.795 3.435 -13.761 614 H ARG 86 H ARG 86 -13.753 3.862 -11.940 615 HA ARG 86 HA ARG 86 -11.660 5.924 -12.022 616 HB2 ARG 86 HB2 ARG 86 -13.587 6.368 -10.537 617 HB3 ARG 86 HB3 ARG 86 -13.217 4.902 -9.640 618 HG2 ARG 86 HG2 ARG 86 -11.107 5.823 -8.923 619 HG3 ARG 86 HG3 ARG 86 -11.362 7.258 -9.918 620 HD2 ARG 86 HD2 ARG 86 -13.229 6.430 -7.711 621 HD3 ARG 86 HD3 ARG 86 -11.857 7.507 -7.459 622 HE ARG 86 HE ARG 86 -13.824 8.227 -9.507 623 HH11 ARG 86 HH11 ARG 86 -12.386 8.796 -6.369 624 HH12 ARG 86 HH12 ARG 86 -13.134 10.343 -6.152 625 HH21 ARG 86 HH21 ARG 86 -14.788 10.292 -9.246 626 HH22 ARG 86 HH22 ARG 86 -14.498 11.198 -7.794 627 H VAL 87 H VAL 87 -12.099 2.582 -11.772 628 HA VAL 87 HA VAL 87 -9.623 2.189 -10.270 629 HB VAL 87 HB VAL 87 -11.216 -0.038 -11.506 630 HG11 VAL 87 HG11 VAL 87 -9.043 -0.570 -10.564 631 HG12 VAL 87 HG12 VAL 87 -10.329 -1.292 -9.596 632 HG13 VAL 87 HG13 VAL 87 -9.511 0.163 -9.029 633 HG21 VAL 87 HG21 VAL 87 -11.824 1.277 -8.861 634 HG22 VAL 87 HG22 VAL 87 -12.540 -0.221 -9.455 635 HG23 VAL 87 HG23 VAL 87 -12.851 1.298 -10.296 636 H VAL 88 H VAL 88 -7.977 2.771 -11.605 637 HA VAL 88 HA VAL 88 -7.908 1.526 -14.275 638 HB VAL 88 HB VAL 88 -6.768 3.558 -15.123 639 HG11 VAL 88 HG11 VAL 88 -9.153 3.261 -15.492 640 HG12 VAL 88 HG12 VAL 88 -8.775 4.966 -15.243 641 HG13 VAL 88 HG13 VAL 88 -9.504 4.026 -13.941 642 HG21 VAL 88 HG21 VAL 88 -7.538 4.734 -12.453 643 HG22 VAL 88 HG22 VAL 88 -6.890 5.634 -13.824 644 HG23 VAL 88 HG23 VAL 88 -5.897 4.420 -13.018 645 H THR 89 H THR 89 -5.757 1.316 -15.194 646 HA THR 89 HA THR 89 -3.883 0.343 -13.248 647 HB THR 89 HB THR 89 -2.929 0.494 -16.001 648 HG1 THR 89 HG1 THR 89 -4.755 -0.019 -16.943 649 HG21 THR 89 HG21 THR 89 -2.673 -1.935 -15.668 650 HG22 THR 89 HG22 THR 89 -3.538 -1.806 -14.136 651 HG23 THR 89 HG23 THR 89 -1.976 -1.012 -14.338 652 H GLY 90 H GLY 90 -1.860 1.162 -12.791 653 HA2 GLY 90 HA2 GLY 90 -0.903 3.529 -14.194 654 HA3 GLY 90 HA3 GLY 90 -1.301 3.738 -12.495 655 H LEU 91 H LEU 91 1.051 4.362 -12.561 656 HA LEU 91 HA LEU 91 2.670 1.985 -11.936 657 HB2 LEU 91 HB2 LEU 91 3.268 2.785 -14.188 658 HB3 LEU 91 HB3 LEU 91 3.565 4.386 -13.541 659 HG LEU 91 HG LEU 91 5.407 3.420 -12.155 660 HD11 LEU 91 HD11 LEU 91 4.652 1.109 -12.108 661 HD12 LEU 91 HD12 LEU 91 6.285 1.229 -12.763 662 HD13 LEU 91 HD13 LEU 91 4.916 0.975 -13.847 663 HD21 LEU 91 HD21 LEU 91 6.980 3.210 -14.031 664 HD22 LEU 91 HD22 LEU 91 5.883 4.577 -14.230 665 HD23 LEU 91 HD23 LEU 91 5.618 3.093 -15.147 666 H THR 92 H THR 92 3.936 2.204 -10.125 667 HA THR 92 HA THR 92 3.635 4.690 -8.623 668 HB THR 92 HB THR 92 4.686 3.387 -6.755 669 HG1 THR 92 HG1 THR 92 5.576 1.528 -7.214 670 HG21 THR 92 HG21 THR 92 2.248 2.133 -8.024 671 HG22 THR 92 HG22 THR 92 2.254 3.533 -6.952 672 HG23 THR 92 HG23 THR 92 2.738 1.951 -6.339 673 HA PRO 93 HA PRO 93 7.947 5.667 -9.368 674 HB2 PRO 93 HB2 PRO 93 8.064 7.944 -7.972 675 HB3 PRO 93 HB3 PRO 93 7.134 7.834 -9.471 676 HG2 PRO 93 HG2 PRO 93 6.190 7.883 -6.654 677 HG3 PRO 93 HG3 PRO 93 5.408 8.510 -8.114 678 HD2 PRO 93 HD2 PRO 93 4.866 6.055 -6.819 679 HD3 PRO 93 HD3 PRO 93 4.266 6.577 -8.404 680 H SER 94 H SER 94 9.916 6.185 -8.045 681 HA SER 94 HA SER 94 9.858 4.617 -5.572 682 HB2 SER 94 HB2 SER 94 11.531 4.155 -7.455 683 HB3 SER 94 HB3 SER 94 12.315 5.662 -6.982 684 HG SER 94 HG SER 94 11.808 3.493 -5.211 685 H GLY 95 H GLY 95 10.523 5.433 -3.625 686 HA2 GLY 95 HA2 GLY 95 11.659 8.038 -3.323 687 HA3 GLY 95 HA3 GLY 95 9.945 8.020 -2.922 688 H LYS 96 H LYS 96 12.118 8.558 -1.109 689 HA LYS 96 HA LYS 96 12.458 6.136 0.476 690 HB2 LYS 96 HB2 LYS 96 13.448 8.947 0.985 691 HB3 LYS 96 HB3 LYS 96 13.936 7.505 1.863 692 HG2 LYS 96 HG2 LYS 96 14.413 7.947 -1.076 693 HG3 LYS 96 HG3 LYS 96 15.591 8.286 0.192 694 HD2 LYS 96 HD2 LYS 96 15.482 5.903 0.871 695 HD3 LYS 96 HD3 LYS 96 14.395 5.597 -0.487 696 HE2 LYS 96 HE2 LYS 96 16.100 6.224 -2.062 697 HE3 LYS 96 HE3 LYS 96 17.172 6.741 -0.762 698 HZ1 LYS 96 HZ1 LYS 96 17.893 4.621 -1.451 699 HZ2 LYS 96 HZ2 LYS 96 16.330 3.976 -1.427 700 HZ3 LYS 96 HZ3 LYS 96 17.103 4.382 0.030 701 H ALA 97 H ALA 97 11.316 5.657 2.267 702 HA ALA 97 HA ALA 97 9.878 7.747 3.690 703 HB1 ALA 97 HB1 ALA 97 8.302 7.046 1.954 704 HB2 ALA 97 HB2 ALA 97 7.735 6.585 3.559 705 HB3 ALA 97 HB3 ALA 97 8.449 5.373 2.494 706 H ALA 98 H ALA 98 8.903 6.907 5.725 707 HA ALA 98 HA ALA 98 10.616 4.892 6.914 708 HB1 ALA 98 HB1 ALA 98 9.514 5.444 9.017 709 HB2 ALA 98 HB2 ALA 98 8.360 6.466 8.160 710 HB3 ALA 98 HB3 ALA 98 10.068 6.905 8.200 711 H SER 99 H SER 99 10.165 2.846 6.858 712 HA SER 99 HA SER 99 7.363 1.961 6.805 713 HB2 SER 99 HB2 SER 99 8.290 1.807 4.518 714 HB3 SER 99 HB3 SER 99 9.642 0.856 5.126 715 HG SER 99 HG SER 99 8.340 -0.852 5.435 716 H SER 100 H SER 100 6.967 0.071 7.942 717 HA SER 100 HA SER 100 9.182 -1.475 9.005 718 HB2 SER 100 HB2 SER 100 7.166 -0.129 10.828 719 HB3 SER 100 HB3 SER 100 8.356 -1.326 11.337 720 HG SER 100 HG SER 100 9.516 0.676 9.939 721 H LEU 101 H LEU 101 8.640 -3.604 9.111 722 HA LEU 101 HA LEU 101 6.006 -4.257 8.160 723 HB2 LEU 101 HB2 LEU 101 7.079 -6.677 8.532 724 HB3 LEU 101 HB3 LEU 101 7.299 -5.717 7.087 725 HG LEU 101 HG LEU 101 9.462 -4.887 8.081 726 HD11 LEU 101 HD11 LEU 101 9.055 -7.176 9.999 727 HD12 LEU 101 HD12 LEU 101 8.956 -5.469 10.431 728 HD13 LEU 101 HD13 LEU 101 10.483 -6.148 9.865 729 HD21 LEU 101 HD21 LEU 101 10.655 -6.947 7.504 730 HD22 LEU 101 HD22 LEU 101 9.375 -6.567 6.351 731 HD23 LEU 101 HD23 LEU 101 9.129 -7.828 7.559 732 H TYR 102 H TYR 102 4.386 -4.535 9.362 733 HA TYR 102 HA TYR 102 4.632 -5.202 12.176 734 HB2 TYR 102 HB2 TYR 102 3.005 -3.473 11.237 735 HB3 TYR 102 HB3 TYR 102 2.095 -4.822 10.570 736 HD1 TYR 102 HD1 TYR 102 3.303 -3.336 13.743 737 HD2 TYR 102 HD2 TYR 102 0.550 -6.006 11.903 738 HE1 TYR 102 HE1 TYR 102 2.089 -3.538 15.871 739 HE2 TYR 102 HE2 TYR 102 -0.671 -6.218 14.026 740 HH TYR 102 HH TYR 102 -0.180 -4.139 16.649 741 H ILE 103 H ILE 103 5.170 -7.299 12.410 742 HA ILE 103 HA ILE 103 3.701 -9.296 10.833 743 HB ILE 103 HB ILE 103 6.341 -9.630 12.272 744 HG12 ILE 103 HG12 ILE 103 5.755 -9.311 9.315 745 HG13 ILE 103 HG13 ILE 103 6.508 -8.098 10.344 746 HG21 ILE 103 HG21 ILE 103 6.484 -11.743 11.043 747 HG22 ILE 103 HG22 ILE 103 4.886 -11.452 10.355 748 HG23 ILE 103 HG23 ILE 103 5.066 -11.703 12.091 749 HD11 ILE 103 HD11 ILE 103 7.653 -10.808 9.715 750 HD12 ILE 103 HD12 ILE 103 8.416 -9.553 10.693 751 HD13 ILE 103 HD13 ILE 103 8.137 -9.284 8.972 752 H GLY 104 H GLY 104 2.128 -10.271 11.883 753 HA2 GLY 104 HA2 GLY 104 1.948 -11.945 13.808 754 HA3 GLY 104 HA3 GLY 104 2.351 -10.557 14.808 755 HA PRO 105 HA PRO 105 -2.292 -10.851 14.557 756 HB2 PRO 105 HB2 PRO 105 -2.643 -10.175 17.186 757 HB3 PRO 105 HB3 PRO 105 -2.470 -11.838 16.616 758 HG2 PRO 105 HG2 PRO 105 -0.420 -10.028 17.831 759 HG3 PRO 105 HG3 PRO 105 -0.704 -11.754 18.122 760 HD2 PRO 105 HD2 PRO 105 1.291 -10.888 16.537 761 HD3 PRO 105 HD3 PRO 105 0.407 -12.391 16.199 762 H TYR 106 H TYR 106 -3.831 -9.110 14.836 763 HA TYR 106 HA TYR 106 -2.505 -6.522 14.505 764 HB2 TYR 106 HB2 TYR 106 -5.202 -7.572 13.691 765 HB3 TYR 106 HB3 TYR 106 -4.866 -5.846 13.710 766 HD1 TYR 106 HD1 TYR 106 -3.278 -4.871 12.130 767 HD2 TYR 106 HD2 TYR 106 -4.224 -9.019 12.010 768 HE1 TYR 106 HE1 TYR 106 -2.319 -5.012 9.869 769 HE2 TYR 106 HE2 TYR 106 -3.262 -9.172 9.749 770 HH TYR 106 HH TYR 106 -1.344 -6.756 8.379 771 H GLY 107 H GLY 107 -4.043 -4.647 15.177 772 HA2 GLY 107 HA2 GLY 107 -5.690 -4.783 17.418 773 HA3 GLY 107 HA3 GLY 107 -4.037 -4.558 17.994 774 H GLU 108 H GLU 108 -4.175 -2.429 18.676 775 HA GLU 108 HA GLU 108 -5.196 -0.389 16.939 776 HB2 GLU 108 HB2 GLU 108 -3.399 -0.158 19.365 777 HB3 GLU 108 HB3 GLU 108 -4.152 1.194 18.530 778 HG2 GLU 108 HG2 GLU 108 -6.365 0.241 19.067 779 HG3 GLU 108 HG3 GLU 108 -5.559 -1.021 19.998 780 H ILE 109 H ILE 109 -4.229 -0.225 15.015 781 HA ILE 109 HA ILE 109 -1.454 -0.727 14.608 782 HB ILE 109 HB ILE 109 -3.180 -1.115 12.868 783 HG12 ILE 109 HG12 ILE 109 -1.068 0.866 11.986 784 HG13 ILE 109 HG13 ILE 109 -0.767 -0.841 12.292 785 HG21 ILE 109 HG21 ILE 109 -3.270 1.891 12.700 786 HG22 ILE 109 HG22 ILE 109 -4.568 0.831 13.249 787 HG23 ILE 109 HG23 ILE 109 -4.037 0.778 11.567 788 HD11 ILE 109 HD11 ILE 109 -2.311 -1.432 10.494 789 HD12 ILE 109 HD12 ILE 109 -1.004 -0.398 9.918 790 HD13 ILE 109 HD13 ILE 109 -2.610 0.279 10.190 791 H GLU 110 H GLU 110 -3.163 1.895 15.775 792 HA GLU 110 HA GLU 110 -1.702 4.103 14.864 793 HB2 GLU 110 HB2 GLU 110 -3.042 3.660 17.539 794 HB3 GLU 110 HB3 GLU 110 -2.504 5.216 16.927 795 HG2 GLU 110 HG2 GLU 110 -4.838 5.103 16.589 796 HG3 GLU 110 HG3 GLU 110 -4.080 4.914 15.011 797 H ALA 111 H ALA 111 -1.032 1.684 17.278 798 HA ALA 111 HA ALA 111 0.910 2.996 18.800 799 HB1 ALA 111 HB1 ALA 111 0.710 0.050 18.194 800 HB2 ALA 111 HB2 ALA 111 -0.151 0.899 19.477 801 HB3 ALA 111 HB3 ALA 111 1.607 0.780 19.525 802 H VAL 112 H VAL 112 1.172 1.283 15.729 803 HA VAL 112 HA VAL 112 4.057 1.381 15.787 804 HB VAL 112 HB VAL 112 2.763 -0.474 14.659 805 HG11 VAL 112 HG11 VAL 112 1.102 0.875 13.497 806 HG12 VAL 112 HG12 VAL 112 2.009 -0.129 12.369 807 HG13 VAL 112 HG13 VAL 112 2.368 1.591 12.501 808 HG21 VAL 112 HG21 VAL 112 4.351 -0.689 12.799 809 HG22 VAL 112 HG22 VAL 112 5.136 -0.192 14.297 810 HG23 VAL 112 HG23 VAL 112 4.828 0.993 13.028 811 H TYR 113 H TYR 113 1.432 3.286 14.489 812 HA TYR 113 HA TYR 113 2.911 4.893 12.707 813 HB2 TYR 113 HB2 TYR 113 0.442 5.517 14.335 814 HB3 TYR 113 HB3 TYR 113 1.127 6.626 13.153 815 HD1 TYR 113 HD1 TYR 113 1.720 5.132 10.835 816 HD2 TYR 113 HD2 TYR 113 -1.481 4.540 13.572 817 HE1 TYR 113 HE1 TYR 113 0.402 4.063 9.053 818 HE2 TYR 113 HE2 TYR 113 -2.805 3.467 11.802 819 HH TYR 113 HH TYR 113 -1.492 2.476 8.844 820 H ASP 114 H ASP 114 2.132 5.278 16.151 821 HA ASP 114 HA ASP 114 3.457 7.702 16.583 822 HB2 ASP 114 HB2 ASP 114 2.738 5.401 18.359 823 HB3 ASP 114 HB3 ASP 114 3.758 6.690 18.987 824 H ALA 115 H ALA 115 4.715 4.426 16.466 825 HA ALA 115 HA ALA 115 7.268 4.983 17.557 826 HB1 ALA 115 HB1 ALA 115 7.923 2.817 16.679 827 HB2 ALA 115 HB2 ALA 115 6.487 2.772 15.656 828 HB3 ALA 115 HB3 ALA 115 6.321 2.715 17.410 829 H LEU 116 H LEU 116 6.204 4.563 14.182 830 HA LEU 116 HA LEU 116 8.713 5.273 13.081 831 HB2 LEU 116 HB2 LEU 116 5.966 4.972 11.931 832 HB3 LEU 116 HB3 LEU 116 7.257 5.658 10.961 833 HG LEU 116 HG LEU 116 8.585 3.556 11.465 834 HD11 LEU 116 HD11 LEU 116 7.317 2.774 13.381 835 HD12 LEU 116 HD12 LEU 116 7.316 1.568 12.095 836 HD13 LEU 116 HD13 LEU 116 5.889 2.567 12.367 837 HD21 LEU 116 HD21 LEU 116 7.560 3.940 9.308 838 HD22 LEU 116 HD22 LEU 116 6.025 3.306 9.903 839 HD23 LEU 116 HD23 LEU 116 7.423 2.239 9.759 840 H MET 117 H MET 117 5.969 7.121 14.101 841 HA MET 117 HA MET 117 6.574 9.562 12.836 842 HB2 MET 117 HB2 MET 117 4.445 9.079 13.988 843 HB3 MET 117 HB3 MET 117 5.289 9.064 15.529 844 HG2 MET 117 HG2 MET 117 5.896 11.436 15.161 845 HG3 MET 117 HG3 MET 117 4.918 11.420 13.696 846 HE1 MET 117 HE1 MET 117 1.360 10.577 15.233 847 HE2 MET 117 HE2 MET 117 2.578 9.393 14.754 848 HE3 MET 117 HE3 MET 117 2.268 10.802 13.739 849 H LYS 118 H LYS 118 7.846 8.005 15.709 850 HA LYS 118 HA LYS 118 9.016 10.408 16.753 851 HB2 LYS 118 HB2 LYS 118 8.142 8.606 18.201 852 HB3 LYS 118 HB3 LYS 118 9.426 7.550 17.635 853 HG2 LYS 118 HG2 LYS 118 9.886 8.528 19.847 854 HG3 LYS 118 HG3 LYS 118 11.099 8.963 18.642 855 HD2 LYS 118 HD2 LYS 118 10.495 10.884 20.033 856 HD3 LYS 118 HD3 LYS 118 10.046 11.145 18.348 857 HE2 LYS 118 HE2 LYS 118 8.266 11.923 19.763 858 HE3 LYS 118 HE3 LYS 118 7.724 10.478 18.913 859 HZ1 LYS 118 HZ1 LYS 118 7.052 10.369 21.201 860 HZ2 LYS 118 HZ2 LYS 118 8.642 10.627 21.738 861 HZ3 LYS 118 HZ3 LYS 118 8.247 9.196 20.936 862 H TRP 119 H TRP 119 10.332 7.513 15.103 863 HA TRP 119 HA TRP 119 13.022 8.162 15.696 864 HB2 TRP 119 HB2 TRP 119 13.678 6.381 14.291 865 HB3 TRP 119 HB3 TRP 119 12.156 5.882 15.011 866 HD1 TRP 119 HD1 TRP 119 9.948 6.160 13.309 867 HE1 TRP 119 HE1 TRP 119 9.839 5.704 10.783 868 HE3 TRP 119 HE3 TRP 119 14.866 6.434 12.189 869 HZ2 TRP 119 HZ2 TRP 119 11.604 5.424 8.612 870 HZ3 TRP 119 HZ3 TRP 119 15.621 6.026 9.884 871 HH2 TRP 119 HH2 TRP 119 14.005 5.544 8.121 872 H VAL 120 H VAL 120 10.999 8.887 12.896 873 HA VAL 120 HA VAL 120 13.119 10.005 11.351 874 HB VAL 120 HB VAL 120 11.170 9.139 10.265 875 HG11 VAL 120 HG11 VAL 120 9.515 9.493 11.925 876 HG12 VAL 120 HG12 VAL 120 8.990 10.255 10.423 877 HG13 VAL 120 HG13 VAL 120 9.639 11.242 11.734 878 HG21 VAL 120 HG21 VAL 120 10.603 10.996 8.767 879 HG22 VAL 120 HG22 VAL 120 12.333 10.932 9.105 880 HG23 VAL 120 HG23 VAL 120 11.320 12.127 9.916 881 H ASP 121 H ASP 121 10.801 11.220 13.623 882 HA ASP 121 HA ASP 121 11.147 13.971 13.375 883 HB2 ASP 121 HB2 ASP 121 9.490 12.970 14.884 884 HB3 ASP 121 HB3 ASP 121 10.780 12.342 15.902 885 H ASP 122 H ASP 122 12.960 11.672 15.378 886 HA ASP 122 HA ASP 122 14.930 13.459 16.289 887 HB2 ASP 122 HB2 ASP 122 14.673 11.386 17.432 888 HB3 ASP 122 HB3 ASP 122 14.898 10.459 15.953 889 H ASN 123 H ASN 123 14.745 11.429 13.419 890 HA ASN 123 HA ASN 123 17.365 11.721 12.472 891 HB2 ASN 123 HB2 ASN 123 14.773 11.379 10.956 892 HB3 ASN 123 HB3 ASN 123 16.359 11.300 10.204 893 HD21 ASN 123 HD21 ASN 123 14.191 9.326 10.487 894 HD22 ASN 123 HD22 ASN 123 14.930 7.949 11.217 895 H GLY 124 H GLY 124 14.549 13.796 12.152 896 HA2 GLY 124 HA2 GLY 124 14.466 16.033 11.540 897 HA3 GLY 124 HA3 GLY 124 16.196 15.982 11.223 898 H PHE 125 H PHE 125 13.749 13.837 9.891 899 HA PHE 125 HA PHE 125 14.358 14.864 7.211 900 HB2 PHE 125 HB2 PHE 125 13.450 12.193 8.229 901 HB3 PHE 125 HB3 PHE 125 13.094 12.662 6.576 902 HD1 PHE 125 HD2 PHE 125 14.989 13.197 5.028 903 HD2 PHE 125 HD1 PHE 125 15.577 11.428 8.850 904 HE1 PHE 125 HE2 PHE 125 17.229 12.453 4.333 905 HE2 PHE 125 HE1 PHE 125 17.818 10.680 8.166 906 HZ PHE 125 HZ PHE 125 18.647 11.192 5.905 907 H ASP 126 H ASP 126 12.477 14.846 5.684 908 HA ASP 126 HA ASP 126 10.054 15.700 7.109 909 HB2 ASP 126 HB2 ASP 126 9.667 17.358 5.376 910 HB3 ASP 126 HB3 ASP 126 11.258 17.595 6.089 911 H LEU 127 H LEU 127 8.211 15.877 5.418 912 HA LEU 127 HA LEU 127 7.123 13.437 5.151 913 HB2 LEU 127 HB2 LEU 127 6.577 15.795 3.359 914 HB3 LEU 127 HB3 LEU 127 5.561 14.379 3.466 915 HG LEU 127 HG LEU 127 5.269 14.943 5.936 916 HD11 LEU 127 HD11 LEU 127 6.387 17.581 4.996 917 HD12 LEU 127 HD12 LEU 127 7.133 16.493 6.168 918 HD13 LEU 127 HD13 LEU 127 5.604 17.287 6.548 919 HD21 LEU 127 HD21 LEU 127 3.524 16.577 5.453 920 HD22 LEU 127 HD22 LEU 127 3.538 15.285 4.253 921 HD23 LEU 127 HD23 LEU 127 4.225 16.860 3.860 922 H SER 128 H SER 128 6.919 11.835 3.749 923 HA SER 128 HA SER 128 8.892 11.627 1.636 924 HB2 SER 128 HB2 SER 128 7.974 9.209 1.674 925 HB3 SER 128 HB3 SER 128 8.893 9.771 3.073 926 HG SER 128 HG SER 128 6.600 8.710 3.237 927 H GLY 129 H GLY 129 5.453 11.922 2.070 928 HA2 GLY 129 HA2 GLY 129 4.473 12.782 -0.165 929 HA3 GLY 129 HA3 GLY 129 4.962 11.190 -0.730 930 H GLU 130 H GLU 130 3.834 9.363 -0.052 931 HA GLU 130 HA GLU 130 1.315 9.897 1.382 932 HB2 GLU 130 HB2 GLU 130 0.230 8.185 -0.023 933 HB3 GLU 130 HB3 GLU 130 0.820 9.543 -0.969 934 HG2 GLU 130 HG2 GLU 130 2.371 6.992 -0.670 935 HG3 GLU 130 HG3 GLU 130 1.162 7.230 -1.929 936 H ALA 131 H ALA 131 0.310 7.750 2.164 937 HA ALA 131 HA ALA 131 2.446 6.282 3.561 938 HB1 ALA 131 HB1 ALA 131 -0.452 6.602 4.328 939 HB2 ALA 131 HB2 ALA 131 0.899 7.510 5.005 940 HB3 ALA 131 HB3 ALA 131 0.786 5.770 5.267 941 H TYR 132 H TYR 132 2.171 3.997 3.926 942 HA TYR 132 HA TYR 132 0.601 2.651 1.825 943 HB2 TYR 132 HB2 TYR 132 3.531 2.560 2.338 944 HB3 TYR 132 HB3 TYR 132 2.739 1.067 1.863 945 HD1 TYR 132 HD1 TYR 132 3.278 4.590 0.790 946 HD2 TYR 132 HD2 TYR 132 2.306 0.618 -0.375 947 HE1 TYR 132 HE1 TYR 132 3.477 5.239 -1.573 948 HE2 TYR 132 HE2 TYR 132 2.498 1.254 -2.740 949 HH TYR 132 HH TYR 132 3.959 4.091 -3.758 950 H GLU 133 H GLU 133 -0.621 1.070 2.612 951 HA GLU 133 HA GLU 133 0.532 -0.665 4.704 952 HB2 GLU 133 HB2 GLU 133 -2.334 0.010 4.068 953 HB3 GLU 133 HB3 GLU 133 -1.925 -1.492 4.884 954 HG2 GLU 133 HG2 GLU 133 -0.830 -0.196 6.662 955 HG3 GLU 133 HG3 GLU 133 -1.326 1.290 5.856 956 H ILE 134 H ILE 134 -0.208 -3.036 4.345 957 HA ILE 134 HA ILE 134 -0.876 -3.772 1.667 958 HB ILE 134 HB ILE 134 1.442 -3.142 1.266 959 HG12 ILE 134 HG12 ILE 134 1.200 -6.157 1.251 960 HG13 ILE 134 HG13 ILE 134 0.416 -5.101 0.081 961 HG21 ILE 134 HG21 ILE 134 3.293 -4.355 2.321 962 HG22 ILE 134 HG22 ILE 134 2.140 -5.187 3.366 963 HG23 ILE 134 HG23 ILE 134 2.344 -3.439 3.493 964 HD11 ILE 134 HD11 ILE 134 3.381 -5.375 0.513 965 HD12 ILE 134 HD12 ILE 134 2.608 -4.288 -0.641 966 HD13 ILE 134 HD13 ILE 134 2.450 -6.035 -0.833 967 H TYR 135 H TYR 135 -1.682 -5.786 1.587 968 HA TYR 135 HA TYR 135 -1.469 -7.367 4.064 969 HB2 TYR 135 HB2 TYR 135 -3.710 -7.185 2.047 970 HB3 TYR 135 HB3 TYR 135 -3.647 -8.402 3.316 971 HD1 TYR 135 HD1 TYR 135 -3.525 -7.565 5.740 972 HD2 TYR 135 HD2 TYR 135 -4.665 -5.091 2.471 973 HE1 TYR 135 HE1 TYR 135 -4.618 -6.012 7.300 974 HE2 TYR 135 HE2 TYR 135 -5.756 -3.530 4.025 975 HH TYR 135 HH TYR 135 -5.224 -3.544 7.316 976 H LEU 136 H LEU 136 0.031 -8.876 3.773 977 HA LEU 136 HA LEU 136 0.177 -10.286 1.219 978 HB2 LEU 136 HB2 LEU 136 1.986 -10.302 3.633 979 HB3 LEU 136 HB3 LEU 136 2.187 -11.401 2.282 980 HG LEU 136 HG LEU 136 2.354 -9.275 0.833 981 HD11 LEU 136 HD11 LEU 136 1.567 -7.668 2.459 982 HD12 LEU 136 HD12 LEU 136 3.236 -7.311 2.008 983 HD13 LEU 136 HD13 LEU 136 2.887 -8.093 3.551 984 HD21 LEU 136 HD21 LEU 136 4.522 -9.969 2.806 985 HD22 LEU 136 HD22 LEU 136 4.749 -9.073 1.305 986 HD23 LEU 136 HD23 LEU 136 4.226 -10.756 1.256 987 H ASP 137 H ASP 137 -1.119 -11.924 0.990 988 HA ASP 137 HA ASP 137 -2.160 -13.909 1.269 989 HB2 ASP 137 HB2 ASP 137 -0.378 -14.148 3.700 990 HB3 ASP 137 HB3 ASP 137 -1.470 -15.419 3.158 991 H ASN 138 H ASN 138 -3.378 -15.206 3.194 992 HA ASN 138 HA ASN 138 -5.255 -13.200 4.219 993 HB2 ASN 138 HB2 ASN 138 -6.037 -15.051 2.702 994 HB3 ASN 138 HB3 ASN 138 -5.576 -16.203 3.945 995 HD21 ASN 138 HD21 ASN 138 -7.577 -17.016 4.257 996 HD22 ASN 138 HD22 ASN 138 -8.886 -16.111 4.961 997 HA PRO 139 HA PRO 139 -3.842 -13.980 8.388 998 HB2 PRO 139 HB2 PRO 139 -6.561 -13.161 9.199 999 HB3 PRO 139 HB3 PRO 139 -4.998 -12.458 9.629 1000 HG2 PRO 139 HG2 PRO 139 -6.656 -11.211 7.944 1001 HG3 PRO 139 HG3 PRO 139 -4.899 -11.174 7.704 1002 HD2 PRO 139 HD2 PRO 139 -6.968 -12.840 6.321 1003 HD3 PRO 139 HD3 PRO 139 -5.559 -11.999 5.639 1004 H ALA 140 H ALA 140 -4.155 -15.366 10.095 1005 HA ALA 140 HA ALA 140 -4.952 -17.008 11.415 1006 HB1 ALA 140 HB1 ALA 140 -7.257 -17.755 11.277 1007 HB2 ALA 140 HB2 ALA 140 -7.450 -16.900 9.745 1008 HB3 ALA 140 HB3 ALA 140 -7.149 -15.994 11.228 1009 H GLU 141 H GLU 141 -5.294 -17.500 7.939 1010 HA GLU 141 HA GLU 141 -5.415 -20.369 8.280 1011 HB2 GLU 141 HB2 GLU 141 -5.567 -20.521 5.875 1012 HB3 GLU 141 HB3 GLU 141 -6.672 -19.292 6.469 1013 HG2 GLU 141 HG2 GLU 141 -5.291 -17.544 5.680 1014 HG3 GLU 141 HG3 GLU 141 -3.956 -18.652 5.358 1015 H THR 142 H THR 142 -2.926 -18.060 7.920 1016 HA THR 142 HA THR 142 -1.018 -20.262 7.502 1017 HB THR 142 HB THR 142 -1.159 -18.712 5.541 1018 HG1 THR 142 HG1 THR 142 0.874 -19.827 6.493 1019 HG21 THR 142 HG21 THR 142 -0.141 -16.485 5.727 1020 HG22 THR 142 HG22 THR 142 -0.008 -16.696 7.472 1021 HG23 THR 142 HG23 THR 142 -1.597 -16.622 6.712 1022 H ALA 143 H ALA 143 -2.168 -19.186 9.917 1023 HA ALA 143 HA ALA 143 -1.606 -18.698 12.053 1024 HB1 ALA 143 HB1 ALA 143 0.403 -20.060 11.721 1025 HB2 ALA 143 HB2 ALA 143 0.716 -18.682 12.776 1026 HB3 ALA 143 HB3 ALA 143 1.257 -18.645 11.098 1027 HA PRO 144 HA PRO 144 -1.814 -14.322 11.962 1028 HB2 PRO 144 HB2 PRO 144 -1.442 -13.768 14.606 1029 HB3 PRO 144 HB3 PRO 144 -2.947 -14.425 13.954 1030 HG2 PRO 144 HG2 PRO 144 -0.696 -15.851 15.322 1031 HG3 PRO 144 HG3 PRO 144 -2.445 -16.060 15.530 1032 HD2 PRO 144 HD2 PRO 144 -0.963 -17.749 14.039 1033 HD3 PRO 144 HD3 PRO 144 -2.644 -17.351 13.628 1034 H ASP 145 H ASP 145 0.910 -15.838 13.583 1035 HA ASP 145 HA ASP 145 2.448 -13.414 13.748 1036 HB2 ASP 145 HB2 ASP 145 4.243 -14.904 14.582 1037 HB3 ASP 145 HB3 ASP 145 2.727 -15.122 15.449 1038 H GLN 146 H GLN 146 1.593 -15.062 11.146 1039 HA GLN 146 HA GLN 146 4.133 -14.464 9.800 1040 HB2 GLN 146 HB2 GLN 146 2.154 -16.657 9.306 1041 HB3 GLN 146 HB3 GLN 146 3.171 -16.071 7.995 1042 HG2 GLN 146 HG2 GLN 146 4.160 -17.153 10.623 1043 HG3 GLN 146 HG3 GLN 146 4.140 -18.025 9.089 1044 HE21 GLN 146 HE21 GLN 146 5.625 -15.453 10.910 1045 HE22 GLN 146 HE22 GLN 146 7.011 -15.261 9.886 1046 H LEU 147 H LEU 147 1.224 -13.212 10.353 1047 HA LEU 147 HA LEU 147 0.711 -12.179 7.706 1048 HB2 LEU 147 HB2 LEU 147 -0.462 -11.758 10.415 1049 HB3 LEU 147 HB3 LEU 147 -0.662 -10.480 9.232 1050 HG LEU 147 HG LEU 147 -2.609 -11.930 9.251 1051 HD11 LEU 147 HD11 LEU 147 -1.998 -10.913 7.139 1052 HD12 LEU 147 HD12 LEU 147 -2.671 -12.521 6.868 1053 HD13 LEU 147 HD13 LEU 147 -0.928 -12.266 6.771 1054 HD21 LEU 147 HD21 LEU 147 -0.708 -14.146 8.499 1055 HD22 LEU 147 HD22 LEU 147 -2.464 -14.268 8.580 1056 HD23 LEU 147 HD23 LEU 147 -1.533 -13.977 10.047 1057 H ARG 148 H ARG 148 1.855 -10.610 6.813 1058 HA ARG 148 HA ARG 148 3.411 -8.872 8.602 1059 HB2 ARG 148 HB2 ARG 148 5.278 -8.976 7.059 1060 HB3 ARG 148 HB3 ARG 148 4.824 -10.599 7.550 1061 HG2 ARG 148 HG2 ARG 148 3.379 -10.455 5.331 1062 HG3 ARG 148 HG3 ARG 148 4.637 -9.296 4.900 1063 HD2 ARG 148 HD2 ARG 148 5.506 -11.295 4.118 1064 HD3 ARG 148 HD3 ARG 148 6.266 -11.144 5.703 1065 HE ARG 148 HE ARG 148 3.781 -12.663 5.583 1066 HH11 ARG 148 HH11 ARG 148 7.290 -12.739 5.731 1067 HH12 ARG 148 HH12 ARG 148 7.345 -14.428 6.136 1068 HH21 ARG 148 HH21 ARG 148 3.879 -14.859 6.169 1069 HH22 ARG 148 HH22 ARG 148 5.423 -15.616 6.425 1070 H THR 149 H THR 149 3.257 -6.777 8.262 1071 HA THR 149 HA THR 149 2.214 -5.789 5.699 1072 HB THR 149 HB THR 149 1.233 -4.927 8.433 1073 HG1 THR 149 HG1 THR 149 0.062 -6.466 6.348 1074 HG21 THR 149 HG21 THR 149 1.322 -3.054 6.860 1075 HG22 THR 149 HG22 THR 149 -0.346 -3.508 7.205 1076 HG23 THR 149 HG23 THR 149 0.402 -3.991 5.682 1077 H ARG 150 H ARG 150 4.053 -4.736 5.010 1078 HA ARG 150 HA ARG 150 5.631 -3.189 6.835 1079 HB2 ARG 150 HB2 ARG 150 6.831 -2.370 4.830 1080 HB3 ARG 150 HB3 ARG 150 6.758 -4.122 4.910 1081 HG2 ARG 150 HG2 ARG 150 5.116 -4.212 3.197 1082 HG3 ARG 150 HG3 ARG 150 4.886 -2.463 3.243 1083 HD2 ARG 150 HD2 ARG 150 7.450 -3.848 2.466 1084 HD3 ARG 150 HD3 ARG 150 6.258 -3.230 1.325 1085 HE ARG 150 HE ARG 150 7.171 -1.223 3.163 1086 HH11 ARG 150 HH11 ARG 150 7.945 -2.904 0.196 1087 HH12 ARG 150 HH12 ARG 150 8.910 -1.619 -0.460 1088 HH21 ARG 150 HH21 ARG 150 8.450 0.494 2.316 1089 HH22 ARG 150 HH22 ARG 150 9.206 0.318 0.763 1090 H VAL 151 H VAL 151 4.532 -1.623 7.802 1091 HA VAL 151 HA VAL 151 2.732 0.046 6.248 1092 HB VAL 151 HB VAL 151 1.903 -0.703 8.399 1093 HG11 VAL 151 HG11 VAL 151 4.017 -0.984 9.577 1094 HG12 VAL 151 HG12 VAL 151 2.893 0.004 10.509 1095 HG13 VAL 151 HG13 VAL 151 4.223 0.767 9.639 1096 HG21 VAL 151 HG21 VAL 151 1.282 1.463 9.385 1097 HG22 VAL 151 HG22 VAL 151 1.128 1.454 7.629 1098 HG23 VAL 151 HG23 VAL 151 2.506 2.250 8.389 1099 H SER 152 H SER 152 3.430 1.754 5.278 1100 HA SER 152 HA SER 152 5.768 3.169 6.373 1101 HB2 SER 152 HB2 SER 152 6.022 2.049 4.097 1102 HB3 SER 152 HB3 SER 152 4.840 3.211 3.491 1103 HG SER 152 HG SER 152 6.984 4.237 4.929 1104 H LEU 153 H LEU 153 5.607 5.397 6.627 1105 HA LEU 153 HA LEU 153 3.076 6.595 5.770 1106 HB2 LEU 153 HB2 LEU 153 2.980 7.816 8.033 1107 HB3 LEU 153 HB3 LEU 153 2.358 6.190 7.905 1108 HG LEU 153 HG LEU 153 3.632 6.753 10.008 1109 HD11 LEU 153 HD11 LEU 153 4.759 4.597 10.121 1110 HD12 LEU 153 HD12 LEU 153 4.608 4.429 8.371 1111 HD13 LEU 153 HD13 LEU 153 3.162 4.470 9.381 1112 HD21 LEU 153 HD21 LEU 153 5.996 6.651 8.144 1113 HD22 LEU 153 HD22 LEU 153 6.090 6.601 9.904 1114 HD23 LEU 153 HD23 LEU 153 5.457 8.034 9.095 1115 H MET 154 H MET 154 3.066 9.023 6.382 1116 HA MET 154 HA MET 154 5.241 10.190 4.976 1117 HB2 MET 154 HB2 MET 154 2.927 11.410 6.484 1118 HB3 MET 154 HB3 MET 154 4.066 12.331 5.509 1119 HG2 MET 154 HG2 MET 154 3.338 11.323 3.514 1120 HG3 MET 154 HG3 MET 154 2.479 10.051 4.379 1121 HE1 MET 154 HE1 MET 154 0.228 10.360 5.634 1122 HE2 MET 154 HE2 MET 154 -0.578 11.913 5.859 1123 HE3 MET 154 HE3 MET 154 0.970 11.600 6.644 1124 H LEU 155 H LEU 155 6.724 11.742 5.769 1125 HA LEU 155 HA LEU 155 7.655 10.926 8.399 1126 HB2 LEU 155 HB2 LEU 155 9.095 12.470 6.249 1127 HB3 LEU 155 HB3 LEU 155 9.809 11.793 7.699 1128 HG LEU 155 HG LEU 155 8.649 10.247 5.384 1129 HD11 LEU 155 HD11 LEU 155 11.469 10.537 6.408 1130 HD12 LEU 155 HD12 LEU 155 10.825 11.202 4.906 1131 HD13 LEU 155 HD13 LEU 155 10.953 9.455 5.112 1132 HD21 LEU 155 HD21 LEU 155 9.450 8.262 6.591 1133 HD22 LEU 155 HD22 LEU 155 8.159 9.103 7.449 1134 HD23 LEU 155 HD23 LEU 155 9.832 9.283 7.979 1135 H HIS 156 H HIS 156 6.682 12.170 9.910 1136 HA HIS 156 HA HIS 156 6.628 13.904 11.372 1137 HB2 HIS 156 HB2 HIS 156 9.054 13.941 10.997 1138 HB3 HIS 156 HB3 HIS 156 8.836 15.006 9.618 1139 HD1 HIS 156 HD1 HIS 156 8.398 14.995 13.379 1140 HD2 HIS 156 HD2 HIS 156 8.863 17.660 10.224 1141 HE1 HIS 156 HE1 HIS 156 8.747 17.248 14.440 1142 HE2 HIS 156 HE2 HIS 156 9.192 18.809 12.511 1143 H GLU 157 H GLU 157 4.471 14.292 10.461 1144 HA GLU 157 HA GLU 157 4.346 17.064 9.552 1145 HB2 GLU 157 HB2 GLU 157 2.186 16.195 8.237 1146 HB3 GLU 157 HB3 GLU 157 3.772 16.302 7.495 1147 HG2 GLU 157 HG2 GLU 157 2.760 14.220 6.890 1148 HG3 GLU 157 HG3 GLU 157 4.117 13.901 7.968 1149 H SER 158 H SER 158 2.422 14.327 10.732 1150 HA SER 158 HA SER 158 1.456 15.661 13.010 1151 HB2 SER 158 HB2 SER 158 0.180 16.948 11.289 1152 HB3 SER 158 HB3 SER 158 -0.546 15.440 10.740 1153 HG SER 158 HG SER 158 -1.934 16.459 12.172 1154 H LEU 159 H LEU 159 -0.026 13.543 10.576 1155 HA LEU 159 HA LEU 159 -0.998 11.492 10.708 1156 HB2 LEU 159 HB2 LEU 159 1.705 11.309 11.013 1157 HB3 LEU 159 HB3 LEU 159 1.148 10.421 12.416 1158 HG LEU 159 HG LEU 159 1.602 8.935 10.520 1159 HD11 LEU 159 HD11 LEU 159 -1.335 9.110 11.164 1160 HD12 LEU 159 HD12 LEU 159 -0.113 8.277 12.124 1161 HD13 LEU 159 HD13 LEU 159 -0.499 7.706 10.501 1162 HD21 LEU 159 HD21 LEU 159 1.125 10.482 8.707 1163 HD22 LEU 159 HD22 LEU 159 -0.588 10.465 9.127 1164 HD23 LEU 159 HD23 LEU 159 0.188 8.999 8.526 1165 H GLU 160 H GLU 160 -2.117 13.140 12.661 1166 HA GLU 160 HA GLU 160 -2.125 11.688 15.133 1167 HB2 GLU 160 HB2 GLU 160 -2.462 14.102 15.212 1168 HB3 GLU 160 HB3 GLU 160 -3.924 13.942 14.242 1169 HG2 GLU 160 HG2 GLU 160 -5.047 12.770 15.982 1170 HG3 GLU 160 HG3 GLU 160 -3.562 12.617 16.916 1171 H HIS 161 H HIS 161 -2.724 9.668 14.571 1172 HA HIS 161 HA HIS 161 -5.627 9.349 14.311 1173 HB2 HIS 161 HB2 HIS 161 -4.774 8.707 12.152 1174 HB3 HIS 161 HB3 HIS 161 -3.473 7.774 12.879 1175 HD1 HIS 161 HD1 HIS 161 -7.293 7.665 13.037 1176 HD2 HIS 161 HD2 HIS 161 -3.992 5.159 12.751 1177 HE1 HIS 161 HE1 HIS 161 -8.224 5.333 12.915 1178 HE2 HIS 161 HE2 HIS 161 -6.192 3.843 13.062 1179 H HIS 162 H HIS 162 -6.337 8.473 16.150 1180 HA HIS 162 HA HIS 162 -4.769 6.373 17.440 1181 HB2 HIS 162 HB2 HIS 162 -5.537 8.963 18.791 1182 HB3 HIS 162 HB3 HIS 162 -5.120 7.506 19.684 1183 HD1 HIS 162 HD1 HIS 162 -3.631 10.518 18.546 1184 HD2 HIS 162 HD2 HIS 162 -2.394 6.559 18.797 1185 HE1 HIS 162 HE1 HIS 162 -1.116 10.584 18.418 1186 HE2 HIS 162 HE2 HIS 162 -0.388 8.164 18.517 1187 H HIS 163 H HIS 163 -6.021 4.795 18.148 1188 HA HIS 163 HA HIS 163 -8.887 5.094 18.240 1189 HB2 HIS 163 HB2 HIS 163 -8.012 2.997 17.422 1190 HB3 HIS 163 HB3 HIS 163 -7.046 2.777 18.876 1191 HD1 HIS 163 HD1 HIS 163 -8.073 1.479 20.725 1192 HD2 HIS 163 HD2 HIS 163 -10.885 2.731 17.919 1193 HE1 HIS 163 HE1 HIS 163 -10.238 0.365 21.378 1194 HE2 HIS 163 HE2 HIS 163 -11.944 1.199 19.722 1195 H HIS 164 H HIS 164 -6.386 4.146 20.591 1196 HA HIS 164 HA HIS 164 -6.111 4.575 22.796 1197 HB2 HIS 164 HB2 HIS 164 -6.581 6.904 22.386 1198 HB3 HIS 164 HB3 HIS 164 -8.311 6.597 22.329 1199 HD1 HIS 164 HD1 HIS 164 -5.442 6.876 24.752 1200 HD2 HIS 164 HD2 HIS 164 -9.586 6.543 24.789 1201 HE1 HIS 164 HE1 HIS 164 -6.138 7.327 27.123 1202 HE2 HIS 164 HE2 HIS 164 -8.607 6.821 27.170 1203 H HIS 165 H HIS 165 -6.582 2.777 23.866 1204 HA HIS 165 HA HIS 165 -9.424 2.173 24.325 1205 HB2 HIS 165 HB2 HIS 165 -8.808 -0.154 24.699 1206 HB3 HIS 165 HB3 HIS 165 -8.234 0.387 23.132 1207 HD1 HIS 165 HD1 HIS 165 -5.555 0.911 23.042 1208 HD2 HIS 165 HD2 HIS 165 -6.934 -1.340 26.261 1209 HE1 HIS 165 HE1 HIS 165 -3.528 -0.214 24.003 1210 HE2 HIS 165 HE2 HIS 165 -4.416 -1.731 25.803 1211 H HIS 166 H HIS 166 -9.530 3.717 26.019 1212 HA HIS 166 HA HIS 166 -9.236 2.660 28.586 1213 HB2 HIS 166 HB2 HIS 166 -6.784 3.161 27.996 1214 HB3 HIS 166 HB3 HIS 166 -7.227 4.861 28.115 1215 HD1 HIS 166 HD1 HIS 166 -6.466 1.861 30.141 1216 HD2 HIS 166 HD2 HIS 166 -7.884 5.725 30.758 1217 HE1 HIS 166 HE1 HIS 166 -6.301 2.260 32.619 1218 HE2 HIS 166 HE2 HIS 166 -7.303 4.543 32.985 Start of MODEL 2 1 H1 MET 1 H1 MET 1 0.619 -9.813 17.890 2 H2 MET 1 H2 MET 1 0.535 -8.138 17.625 3 H3 MET 1 H3 MET 1 -0.816 -9.112 17.336 4 HA MET 1 HA MET 1 -1.026 -7.869 19.388 5 HB2 MET 1 HB2 MET 1 -1.869 -10.325 18.980 6 HB3 MET 1 HB3 MET 1 -0.647 -10.740 20.172 7 HG2 MET 1 HG2 MET 1 -2.897 -8.790 20.619 8 HG3 MET 1 HG3 MET 1 -2.905 -10.475 21.125 9 HE1 MET 1 HE1 MET 1 -3.478 -9.796 23.597 10 HE2 MET 1 HE2 MET 1 -3.510 -8.097 23.128 11 HE3 MET 1 HE3 MET 1 -2.570 -8.608 24.531 12 H ASP 2 H ASP 2 1.188 -6.823 19.427 13 HA ASP 2 HA ASP 2 2.213 -7.129 22.027 14 HB2 ASP 2 HB2 ASP 2 3.274 -9.152 20.784 15 HB3 ASP 2 HB3 ASP 2 4.295 -7.944 20.008 16 H PHE 3 H PHE 3 4.466 -5.866 22.122 17 HA PHE 3 HA PHE 3 4.127 -3.474 20.446 18 HB2 PHE 3 HB2 PHE 3 3.881 -3.114 22.874 19 HB3 PHE 3 HB3 PHE 3 5.486 -3.781 23.135 20 HD1 PHE 3 HD1 PHE 3 3.930 -1.150 20.976 21 HD2 PHE 3 HD2 PHE 3 7.117 -2.258 23.569 22 HE1 PHE 3 HE1 PHE 3 4.890 1.104 20.752 23 HE2 PHE 3 HE2 PHE 3 8.087 -0.009 23.343 24 HZ PHE 3 HZ PHE 3 6.973 1.675 21.938 25 H GLU 4 H GLU 4 6.325 -5.939 21.545 26 HA GLU 4 HA GLU 4 8.400 -6.603 20.940 27 HB2 GLU 4 HB2 GLU 4 7.078 -6.781 18.781 28 HB3 GLU 4 HB3 GLU 4 7.822 -5.265 18.297 29 HG2 GLU 4 HG2 GLU 4 9.002 -7.116 17.305 30 HG3 GLU 4 HG3 GLU 4 10.038 -6.307 18.478 31 H CYS 5 H CYS 5 8.110 -3.911 22.114 32 HA CYS 5 HA CYS 5 9.276 -2.000 22.530 33 HB2 CYS 5 HB2 CYS 5 11.593 -3.732 21.642 34 HB3 CYS 5 HB3 CYS 5 11.715 -2.263 22.605 35 HG CYS 5 HG CYS 5 11.450 -3.403 24.884 36 H GLN 6 H GLN 6 8.032 -1.697 20.227 37 HA GLN 6 HA GLN 6 7.916 -0.395 18.400 38 HB2 GLN 6 HB2 GLN 6 10.774 0.324 19.054 39 HB3 GLN 6 HB3 GLN 6 9.795 1.096 17.822 40 HG2 GLN 6 HG2 GLN 6 8.224 1.850 19.533 41 HG3 GLN 6 HG3 GLN 6 9.220 1.087 20.773 42 HE21 GLN 6 HE21 GLN 6 8.460 3.871 20.443 43 HE22 GLN 6 HE22 GLN 6 9.943 4.763 20.327 44 H PHE 7 H PHE 7 7.617 -1.621 16.699 45 HA PHE 7 HA PHE 7 9.379 -3.574 15.724 46 HB2 PHE 7 HB2 PHE 7 7.150 -2.095 14.311 47 HB3 PHE 7 HB3 PHE 7 7.959 -3.523 13.680 48 HD1 PHE 7 HD2 PHE 7 7.605 -5.707 14.710 49 HD2 PHE 7 HD1 PHE 7 5.534 -2.250 16.069 50 HE1 PHE 7 HE2 PHE 7 5.990 -7.144 15.887 51 HE2 PHE 7 HE1 PHE 7 3.917 -3.678 17.251 52 HZ PHE 7 HZ PHE 7 4.143 -6.130 17.159 53 H VAL 8 H VAL 8 10.739 -3.588 13.922 54 HA VAL 8 HA VAL 8 12.473 -1.479 13.628 55 HB VAL 8 HB VAL 8 13.088 -3.704 12.922 56 HG11 VAL 8 HG11 VAL 8 10.950 -4.452 12.027 57 HG12 VAL 8 HG12 VAL 8 12.247 -4.711 10.861 58 HG13 VAL 8 HG13 VAL 8 11.132 -3.360 10.653 59 HG21 VAL 8 HG21 VAL 8 14.204 -3.188 10.814 60 HG22 VAL 8 HG22 VAL 8 14.300 -1.829 11.935 61 HG23 VAL 8 HG23 VAL 8 13.155 -1.788 10.593 62 H CYS 9 H CYS 9 12.308 0.445 12.785 63 HA CYS 9 HA CYS 9 10.581 0.852 10.444 64 HB2 CYS 9 HB2 CYS 9 10.347 3.228 11.290 65 HB3 CYS 9 HB3 CYS 9 9.532 2.002 12.256 66 HG CYS 9 HG CYS 9 10.560 3.825 14.047 67 H GLU 10 H GLU 10 11.609 1.585 8.681 68 HA GLU 10 HA GLU 10 14.105 3.060 8.981 69 HB2 GLU 10 HB2 GLU 10 15.269 1.532 7.389 70 HB3 GLU 10 HB3 GLU 10 14.916 0.808 8.950 71 HG2 GLU 10 HG2 GLU 10 12.997 -0.347 7.985 72 HG3 GLU 10 HG3 GLU 10 13.342 0.388 6.420 73 H LEU 11 H LEU 11 14.948 3.787 6.835 74 HA LEU 11 HA LEU 11 12.739 4.816 5.263 75 HB2 LEU 11 HB2 LEU 11 14.562 6.306 5.979 76 HB3 LEU 11 HB3 LEU 11 15.712 5.335 5.081 77 HG LEU 11 HG LEU 11 14.473 5.947 2.986 78 HD11 LEU 11 HD11 LEU 11 13.067 7.866 4.838 79 HD12 LEU 11 HD12 LEU 11 12.328 6.514 3.982 80 HD13 LEU 11 HD13 LEU 11 12.975 7.883 3.077 81 HD21 LEU 11 HD21 LEU 11 16.528 7.086 3.653 82 HD22 LEU 11 HD22 LEU 11 15.587 8.231 4.612 83 HD23 LEU 11 HD23 LEU 11 15.412 8.195 2.857 84 H LYS 12 H LYS 12 12.204 4.163 3.272 85 HA LYS 12 HA LYS 12 13.989 2.307 1.866 86 HB2 LYS 12 HB2 LYS 12 12.392 0.931 3.064 87 HB3 LYS 12 HB3 LYS 12 11.053 1.883 2.446 88 HG2 LYS 12 HG2 LYS 12 11.422 1.069 0.221 89 HG3 LYS 12 HG3 LYS 12 12.900 0.247 0.723 90 HD2 LYS 12 HD2 LYS 12 11.018 -1.314 0.516 91 HD3 LYS 12 HD3 LYS 12 11.618 -1.225 2.172 92 HE2 LYS 12 HE2 LYS 12 9.795 0.366 2.698 93 HE3 LYS 12 HE3 LYS 12 9.169 0.142 1.065 94 HZ1 LYS 12 HZ1 LYS 12 8.796 -2.176 1.527 95 HZ2 LYS 12 HZ2 LYS 12 8.037 -1.244 2.721 96 HZ3 LYS 12 HZ3 LYS 12 9.498 -2.030 3.068 97 H GLU 13 H GLU 13 14.013 2.527 -0.316 98 HA GLU 13 HA GLU 13 12.426 4.705 -1.428 99 HB2 GLU 13 HB2 GLU 13 13.857 4.269 -3.494 100 HB3 GLU 13 HB3 GLU 13 14.674 4.909 -2.078 101 HG2 GLU 13 HG2 GLU 13 14.625 1.972 -2.624 102 HG3 GLU 13 HG3 GLU 13 15.789 3.028 -3.423 103 H LEU 14 H LEU 14 10.740 4.429 -2.699 104 HA LEU 14 HA LEU 14 9.716 1.777 -3.151 105 HB2 LEU 14 HB2 LEU 14 8.695 4.505 -3.938 106 HB3 LEU 14 HB3 LEU 14 7.859 3.019 -4.327 107 HG LEU 14 HG LEU 14 7.742 2.568 -1.836 108 HD11 LEU 14 HD11 LEU 14 8.530 5.475 -1.697 109 HD12 LEU 14 HD12 LEU 14 9.487 4.113 -1.113 110 HD13 LEU 14 HD13 LEU 14 7.941 4.496 -0.352 111 HD21 LEU 14 HD21 LEU 14 5.829 3.321 -3.132 112 HD22 LEU 14 HD22 LEU 14 6.343 4.998 -2.941 113 HD23 LEU 14 HD23 LEU 14 5.829 4.068 -1.533 114 H ALA 15 H ALA 15 10.033 0.570 -4.893 115 HA ALA 15 HA ALA 15 11.233 1.751 -7.268 116 HB1 ALA 15 HB1 ALA 15 10.574 -1.133 -6.663 117 HB2 ALA 15 HB2 ALA 15 12.137 -0.364 -6.397 118 HB3 ALA 15 HB3 ALA 15 11.512 -0.545 -8.036 119 HA PRO 16 HA PRO 16 7.316 1.943 -9.343 120 HB2 PRO 16 HB2 PRO 16 8.682 1.991 -11.899 121 HB3 PRO 16 HB3 PRO 16 7.892 3.317 -11.045 122 HG2 PRO 16 HG2 PRO 16 10.591 3.161 -11.416 123 HG3 PRO 16 HG3 PRO 16 9.836 4.007 -10.054 124 HD2 PRO 16 HD2 PRO 16 11.077 1.284 -10.146 125 HD3 PRO 16 HD3 PRO 16 11.181 2.529 -8.882 126 H VAL 17 H VAL 17 5.997 0.290 -9.721 127 HA VAL 17 HA VAL 17 6.835 -1.783 -11.632 128 HB VAL 17 HB VAL 17 7.097 -2.776 -9.423 129 HG11 VAL 17 HG11 VAL 17 5.648 -1.314 -8.140 130 HG12 VAL 17 HG12 VAL 17 5.218 -3.002 -7.864 131 HG13 VAL 17 HG13 VAL 17 4.227 -2.002 -8.927 132 HG21 VAL 17 HG21 VAL 17 5.556 -4.679 -9.587 133 HG22 VAL 17 HG22 VAL 17 6.254 -4.253 -11.150 134 HG23 VAL 17 HG23 VAL 17 4.597 -3.787 -10.769 135 HA PRO 18 HA PRO 18 2.924 -0.792 -13.541 136 HB2 PRO 18 HB2 PRO 18 2.899 -3.626 -14.403 137 HB3 PRO 18 HB3 PRO 18 2.822 -2.154 -15.375 138 HG2 PRO 18 HG2 PRO 18 5.038 -3.644 -15.303 139 HG3 PRO 18 HG3 PRO 18 5.122 -1.874 -15.370 140 HD2 PRO 18 HD2 PRO 18 5.514 -3.705 -13.038 141 HD3 PRO 18 HD3 PRO 18 6.397 -2.228 -13.471 142 H ALA 19 H ALA 19 1.047 -0.667 -12.544 143 HA ALA 19 HA ALA 19 -0.133 -3.020 -11.282 144 HB1 ALA 19 HB1 ALA 19 1.204 -1.984 -9.512 145 HB2 ALA 19 HB2 ALA 19 -0.521 -1.835 -9.176 146 HB3 ALA 19 HB3 ALA 19 0.383 -0.449 -9.786 147 H LEU 20 H LEU 20 -2.373 -2.381 -10.395 148 HA LEU 20 HA LEU 20 -3.598 -0.408 -12.207 149 HB2 LEU 20 HB2 LEU 20 -4.841 -2.797 -10.842 150 HB3 LEU 20 HB3 LEU 20 -5.727 -1.618 -11.786 151 HG LEU 20 HG LEU 20 -3.643 -3.548 -12.801 152 HD11 LEU 20 HD11 LEU 20 -5.820 -4.542 -12.391 153 HD12 LEU 20 HD12 LEU 20 -5.506 -4.424 -14.123 154 HD13 LEU 20 HD13 LEU 20 -6.593 -3.274 -13.343 155 HD21 LEU 20 HD21 LEU 20 -5.134 -1.394 -14.295 156 HD22 LEU 20 HD22 LEU 20 -4.109 -2.632 -15.023 157 HD23 LEU 20 HD23 LEU 20 -3.403 -1.419 -13.955 158 H LEU 21 H LEU 21 -4.572 1.324 -11.352 159 HA LEU 21 HA LEU 21 -4.928 1.394 -8.436 160 HB2 LEU 21 HB2 LEU 21 -3.524 3.466 -10.117 161 HB3 LEU 21 HB3 LEU 21 -4.072 3.761 -8.481 162 HG LEU 21 HG LEU 21 -2.566 1.716 -7.883 163 HD11 LEU 21 HD11 LEU 21 -0.605 1.509 -9.325 164 HD12 LEU 21 HD12 LEU 21 -1.343 2.609 -10.490 165 HD13 LEU 21 HD13 LEU 21 -2.079 1.038 -10.170 166 HD21 LEU 21 HD21 LEU 21 -0.706 3.206 -7.496 167 HD22 LEU 21 HD22 LEU 21 -2.220 4.053 -7.176 168 HD23 LEU 21 HD23 LEU 21 -1.340 4.353 -8.676 169 H ILE 22 H ILE 22 -6.120 3.331 -7.732 170 HA ILE 22 HA ILE 22 -7.638 4.948 -9.440 171 HB ILE 22 HB ILE 22 -8.945 2.962 -9.940 172 HG12 ILE 22 HG12 ILE 22 -11.179 3.706 -9.172 173 HG13 ILE 22 HG13 ILE 22 -10.407 4.793 -8.024 174 HG21 ILE 22 HG21 ILE 22 -10.127 1.692 -8.235 175 HG22 ILE 22 HG22 ILE 22 -9.396 2.682 -6.973 176 HG23 ILE 22 HG23 ILE 22 -8.385 1.633 -7.968 177 HD11 ILE 22 HD11 ILE 22 -11.152 5.980 -10.005 178 HD12 ILE 22 HD12 ILE 22 -10.160 4.932 -11.019 179 HD13 ILE 22 HD13 ILE 22 -9.395 6.025 -9.865 180 H ARG 23 H ARG 23 -8.298 6.689 -8.271 181 HA ARG 23 HA ARG 23 -7.800 6.541 -5.407 182 HB2 ARG 23 HB2 ARG 23 -7.856 9.034 -5.444 183 HB3 ARG 23 HB3 ARG 23 -6.575 8.316 -6.398 184 HG2 ARG 23 HG2 ARG 23 -9.153 9.318 -7.575 185 HG3 ARG 23 HG3 ARG 23 -7.706 10.306 -7.397 186 HD2 ARG 23 HD2 ARG 23 -8.102 7.868 -9.106 187 HD3 ARG 23 HD3 ARG 23 -7.682 9.502 -9.616 188 HE ARG 23 HE ARG 23 -5.753 8.177 -7.882 189 HH11 ARG 23 HH11 ARG 23 -6.716 8.974 -11.157 190 HH12 ARG 23 HH12 ARG 23 -5.144 8.666 -11.824 191 HH21 ARG 23 HH21 ARG 23 -3.698 7.768 -8.757 192 HH22 ARG 23 HH22 ARG 23 -3.432 7.971 -10.467 193 H THR 24 H THR 24 -9.362 6.185 -4.121 194 HA THR 24 HA THR 24 -12.080 7.121 -4.785 195 HB THR 24 HB THR 24 -11.343 4.902 -2.861 196 HG1 THR 24 HG1 THR 24 -10.880 4.772 -5.360 197 HG21 THR 24 HG21 THR 24 -13.591 5.837 -2.591 198 HG22 THR 24 HG22 THR 24 -13.661 4.189 -3.216 199 HG23 THR 24 HG23 THR 24 -13.918 5.557 -4.301 200 H GLN 25 H GLN 25 -13.340 7.902 -2.921 201 HA GLN 25 HA GLN 25 -11.614 8.892 -0.746 202 HB2 GLN 25 HB2 GLN 25 -14.202 10.128 -1.687 203 HB3 GLN 25 HB3 GLN 25 -13.060 10.799 -0.532 204 HG2 GLN 25 HG2 GLN 25 -12.467 10.334 -3.447 205 HG3 GLN 25 HG3 GLN 25 -12.994 11.869 -2.762 206 HE21 GLN 25 HE21 GLN 25 -11.443 11.504 -0.318 207 HE22 GLN 25 HE22 GLN 25 -9.796 11.783 -0.753 208 H THR 26 H THR 26 -12.259 8.480 1.329 209 HA THR 26 HA THR 26 -14.919 7.285 1.681 210 HB THR 26 HB THR 26 -13.218 5.487 1.759 211 HG1 THR 26 HG1 THR 26 -15.177 5.666 3.245 212 HG21 THR 26 HG21 THR 26 -11.314 6.752 2.590 213 HG22 THR 26 HG22 THR 26 -11.650 5.385 3.655 214 HG23 THR 26 HG23 THR 26 -12.136 7.014 4.125 215 H ALA 27 H ALA 27 -15.840 7.595 3.775 216 HA ALA 27 HA ALA 27 -15.069 10.169 4.881 217 HB1 ALA 27 HB1 ALA 27 -17.437 8.410 5.515 218 HB2 ALA 27 HB2 ALA 27 -17.420 9.748 4.366 219 HB3 ALA 27 HB3 ALA 27 -17.187 10.061 6.086 220 H MET 28 H MET 28 -15.372 10.348 7.328 221 HA MET 28 HA MET 28 -13.432 8.760 8.605 222 HB2 MET 28 HB2 MET 28 -14.176 10.005 10.658 223 HB3 MET 28 HB3 MET 28 -13.680 11.027 9.316 224 HG2 MET 28 HG2 MET 28 -16.114 11.245 8.723 225 HG3 MET 28 HG3 MET 28 -16.477 10.436 10.245 226 HE1 MET 28 HE1 MET 28 -17.454 14.174 10.926 227 HE2 MET 28 HE2 MET 28 -18.016 12.502 10.900 228 HE3 MET 28 HE3 MET 28 -17.601 13.316 9.392 229 H SER 29 H SER 29 -13.619 7.065 9.843 230 HA SER 29 HA SER 29 -14.448 5.287 10.997 231 HB2 SER 29 HB2 SER 29 -17.115 6.715 10.904 232 HB3 SER 29 HB3 SER 29 -16.728 5.312 11.897 233 HG SER 29 HG SER 29 -15.334 6.533 13.096 234 H GLU 30 H GLU 30 -14.965 5.965 7.931 235 HA GLU 30 HA GLU 30 -16.850 3.769 7.395 236 HB2 GLU 30 HB2 GLU 30 -17.421 5.993 6.509 237 HB3 GLU 30 HB3 GLU 30 -15.900 6.042 5.636 238 HG2 GLU 30 HG2 GLU 30 -16.658 4.054 4.346 239 HG3 GLU 30 HG3 GLU 30 -18.225 4.202 5.145 240 H LEU 31 H LEU 31 -13.642 4.296 7.624 241 HA LEU 31 HA LEU 31 -12.426 3.602 5.252 242 HB2 LEU 31 HB2 LEU 31 -11.363 4.482 7.355 243 HB3 LEU 31 HB3 LEU 31 -11.444 2.859 8.006 244 HG LEU 31 HG LEU 31 -9.960 3.416 5.448 245 HD11 LEU 31 HD11 LEU 31 -8.872 3.623 8.253 246 HD12 LEU 31 HD12 LEU 31 -9.091 4.961 7.126 247 HD13 LEU 31 HD13 LEU 31 -7.925 3.688 6.767 248 HD21 LEU 31 HD21 LEU 31 -9.611 1.320 7.594 249 HD22 LEU 31 HD22 LEU 31 -8.696 1.439 6.090 250 HD23 LEU 31 HD23 LEU 31 -10.421 1.072 6.047 251 H GLY 32 H GLY 32 -13.163 1.372 7.947 252 HA2 GLY 32 HA2 GLY 32 -12.110 -0.914 6.700 253 HA3 GLY 32 HA3 GLY 32 -13.256 -0.919 8.032 254 H SER 33 H SER 33 -15.458 0.250 6.878 255 HA SER 33 HA SER 33 -16.599 -1.978 5.569 256 HB2 SER 33 HB2 SER 33 -17.680 0.845 5.691 257 HB3 SER 33 HB3 SER 33 -18.606 -0.633 5.434 258 HG SER 33 HG SER 33 -17.207 -0.949 7.668 259 H LEU 34 H LEU 34 -15.279 1.063 4.398 260 HA LEU 34 HA LEU 34 -16.313 0.922 1.771 261 HB2 LEU 34 HB2 LEU 34 -15.222 2.894 3.070 262 HB3 LEU 34 HB3 LEU 34 -13.708 2.243 2.481 263 HG LEU 34 HG LEU 34 -14.633 4.150 1.150 264 HD11 LEU 34 HD11 LEU 34 -14.291 1.541 -0.317 265 HD12 LEU 34 HD12 LEU 34 -13.007 2.660 0.149 266 HD13 LEU 34 HD13 LEU 34 -14.211 3.146 -1.045 267 HD21 LEU 34 HD21 LEU 34 -16.481 3.700 -0.383 268 HD22 LEU 34 HD22 LEU 34 -16.989 3.590 1.302 269 HD23 LEU 34 HD23 LEU 34 -16.715 2.121 0.366 270 H PHE 35 H PHE 35 -13.224 -0.102 3.189 271 HA PHE 35 HA PHE 35 -12.025 -0.913 0.780 272 HB2 PHE 35 HB2 PHE 35 -11.473 -1.428 3.665 273 HB3 PHE 35 HB3 PHE 35 -10.662 -2.430 2.465 274 HD1 PHE 35 HD2 PHE 35 -11.183 1.075 3.547 275 HD2 PHE 35 HD1 PHE 35 -8.821 -1.634 1.273 276 HE1 PHE 35 HE2 PHE 35 -9.504 2.837 3.198 277 HE2 PHE 35 HE1 PHE 35 -7.138 0.122 0.918 278 HZ PHE 35 HZ PHE 35 -7.478 2.361 1.880 279 H GLU 36 H GLU 36 -14.021 -2.713 3.091 280 HA GLU 36 HA GLU 36 -13.586 -5.280 2.083 281 HB2 GLU 36 HB2 GLU 36 -16.039 -4.105 3.387 282 HB3 GLU 36 HB3 GLU 36 -15.861 -5.814 3.013 283 HG2 GLU 36 HG2 GLU 36 -13.800 -5.809 4.434 284 HG3 GLU 36 HG3 GLU 36 -14.236 -4.174 4.935 285 H ALA 37 H ALA 37 -16.007 -2.866 1.122 286 HA ALA 37 HA ALA 37 -17.125 -4.569 -0.901 287 HB1 ALA 37 HB1 ALA 37 -17.439 -1.605 -0.437 288 HB2 ALA 37 HB2 ALA 37 -18.500 -2.878 0.169 289 HB3 ALA 37 HB3 ALA 37 -18.391 -2.571 -1.564 290 H GLY 38 H GLY 38 -14.698 -2.059 -0.737 291 HA2 GLY 38 HA2 GLY 38 -14.515 -1.337 -3.416 292 HA3 GLY 38 HA3 GLY 38 -13.208 -1.228 -2.252 293 H TYR 39 H TYR 39 -12.506 -3.783 -1.720 294 HA TYR 39 HA TYR 39 -11.223 -4.425 -4.220 295 HB2 TYR 39 HB2 TYR 39 -9.756 -5.796 -3.031 296 HB3 TYR 39 HB3 TYR 39 -10.114 -4.503 -1.898 297 HD1 TYR 39 HD1 TYR 39 -11.805 -4.980 -0.042 298 HD2 TYR 39 HD2 TYR 39 -10.151 -8.037 -2.490 299 HE1 TYR 39 HE1 TYR 39 -12.439 -6.662 1.637 300 HE2 TYR 39 HE2 TYR 39 -10.785 -9.726 -0.825 301 HH TYR 39 HH TYR 39 -11.225 -9.799 1.636 302 H HIS 40 H HIS 40 -14.027 -5.462 -2.613 303 HA HIS 40 HA HIS 40 -14.097 -8.131 -3.614 304 HB2 HIS 40 HB2 HIS 40 -15.484 -7.243 -1.684 305 HB3 HIS 40 HB3 HIS 40 -16.494 -6.444 -2.885 306 HD1 HIS 40 HD1 HIS 40 -18.236 -7.865 -4.083 307 HD2 HIS 40 HD2 HIS 40 -15.605 -10.106 -1.758 308 HE1 HIS 40 HE1 HIS 40 -19.179 -10.196 -4.038 309 HE2 HIS 40 HE2 HIS 40 -17.472 -11.573 -2.799 310 H ASP 41 H ASP 41 -15.478 -5.038 -4.695 311 HA ASP 41 HA ASP 41 -15.915 -6.296 -7.323 312 HB2 ASP 41 HB2 ASP 41 -18.008 -5.498 -6.286 313 HB3 ASP 41 HB3 ASP 41 -17.328 -3.876 -6.174 314 H ILE 42 H ILE 42 -13.662 -5.911 -7.702 315 HA ILE 42 HA ILE 42 -13.257 -3.328 -8.958 316 HB ILE 42 HB ILE 42 -12.423 -3.064 -6.601 317 HG12 ILE 42 HG12 ILE 42 -10.282 -2.892 -8.735 318 HG13 ILE 42 HG13 ILE 42 -11.562 -1.709 -8.497 319 HG21 ILE 42 HG21 ILE 42 -10.383 -5.101 -7.482 320 HG22 ILE 42 HG22 ILE 42 -11.597 -5.304 -6.220 321 HG23 ILE 42 HG23 ILE 42 -10.291 -4.138 -6.008 322 HD11 ILE 42 HD11 ILE 42 -10.691 -1.194 -6.287 323 HD12 ILE 42 HD12 ILE 42 -9.458 -0.969 -7.526 324 HD13 ILE 42 HD13 ILE 42 -9.423 -2.400 -6.496 325 H LEU 43 H LEU 43 -12.502 -6.653 -8.523 326 HA LEU 43 HA LEU 43 -10.298 -6.646 -10.415 327 HB2 LEU 43 HB2 LEU 43 -11.618 -8.930 -8.942 328 HB3 LEU 43 HB3 LEU 43 -10.153 -9.041 -9.900 329 HG LEU 43 HG LEU 43 -10.455 -7.413 -7.372 330 HD11 LEU 43 HD11 LEU 43 -10.513 -9.815 -6.938 331 HD12 LEU 43 HD12 LEU 43 -9.005 -9.100 -6.367 332 HD13 LEU 43 HD13 LEU 43 -9.031 -10.025 -7.868 333 HD21 LEU 43 HD21 LEU 43 -8.840 -6.458 -8.935 334 HD22 LEU 43 HD22 LEU 43 -8.029 -8.019 -9.058 335 HD23 LEU 43 HD23 LEU 43 -8.033 -7.146 -7.526 336 H GLN 44 H GLN 44 -13.182 -6.065 -11.159 337 HA GLN 44 HA GLN 44 -14.358 -8.188 -12.527 338 HB2 GLN 44 HB2 GLN 44 -15.507 -6.071 -12.026 339 HB3 GLN 44 HB3 GLN 44 -14.485 -5.240 -13.189 340 HG2 GLN 44 HG2 GLN 44 -16.636 -5.660 -14.159 341 HG3 GLN 44 HG3 GLN 44 -15.425 -6.648 -14.977 342 HE21 GLN 44 HE21 GLN 44 -15.436 -8.884 -14.669 343 HE22 GLN 44 HE22 GLN 44 -16.807 -9.711 -14.005 344 H LEU 45 H LEU 45 -12.290 -5.601 -13.848 345 HA LEU 45 HA LEU 45 -12.216 -6.708 -16.458 346 HB2 LEU 45 HB2 LEU 45 -10.424 -5.090 -16.884 347 HB3 LEU 45 HB3 LEU 45 -11.795 -4.350 -16.087 348 HG LEU 45 HG LEU 45 -10.304 -4.858 -13.925 349 HD11 LEU 45 HD11 LEU 45 -8.287 -4.427 -16.121 350 HD12 LEU 45 HD12 LEU 45 -8.494 -5.906 -15.185 351 HD13 LEU 45 HD13 LEU 45 -7.953 -4.428 -14.390 352 HD21 LEU 45 HD21 LEU 45 -9.943 -2.510 -15.777 353 HD22 LEU 45 HD22 LEU 45 -9.505 -2.551 -14.070 354 HD23 LEU 45 HD23 LEU 45 -11.196 -2.689 -14.549 355 H LEU 46 H LEU 46 -10.244 -7.137 -13.617 356 HA LEU 46 HA LEU 46 -8.004 -8.338 -14.870 357 HB2 LEU 46 HB2 LEU 46 -8.386 -7.346 -12.450 358 HB3 LEU 46 HB3 LEU 46 -8.813 -8.999 -12.069 359 HG LEU 46 HG LEU 46 -6.181 -8.315 -13.358 360 HD11 LEU 46 HD11 LEU 46 -6.318 -7.034 -11.298 361 HD12 LEU 46 HD12 LEU 46 -5.200 -8.385 -11.109 362 HD13 LEU 46 HD13 LEU 46 -6.819 -8.476 -10.416 363 HD21 LEU 46 HD21 LEU 46 -6.886 -10.651 -13.450 364 HD22 LEU 46 HD22 LEU 46 -7.119 -10.653 -11.701 365 HD23 LEU 46 HD23 LEU 46 -5.503 -10.445 -12.376 366 H ALA 47 H ALA 47 -10.759 -9.678 -13.088 367 HA ALA 47 HA ALA 47 -10.188 -12.394 -13.621 368 HB1 ALA 47 HB1 ALA 47 -12.840 -11.104 -12.989 369 HB2 ALA 47 HB2 ALA 47 -11.665 -11.679 -11.806 370 HB3 ALA 47 HB3 ALA 47 -12.472 -12.824 -12.877 371 H GLY 48 H GLY 48 -11.882 -9.920 -15.402 372 HA2 GLY 48 HA2 GLY 48 -13.229 -11.584 -17.246 373 HA3 GLY 48 HA3 GLY 48 -12.828 -9.891 -17.491 374 H GLN 49 H GLN 49 -10.038 -10.030 -17.355 375 HA GLN 49 HA GLN 49 -9.457 -11.035 -19.986 376 HB2 GLN 49 HB2 GLN 49 -7.588 -9.869 -17.911 377 HB3 GLN 49 HB3 GLN 49 -7.193 -10.159 -19.599 378 HG2 GLN 49 HG2 GLN 49 -8.968 -8.547 -20.237 379 HG3 GLN 49 HG3 GLN 49 -9.209 -8.198 -18.525 380 HE21 GLN 49 HE21 GLN 49 -8.387 -6.398 -20.639 381 HE22 GLN 49 HE22 GLN 49 -6.835 -5.784 -20.193 382 H GLY 50 H GLY 50 -9.343 -12.332 -16.846 383 HA2 GLY 50 HA2 GLY 50 -8.753 -14.456 -16.151 384 HA3 GLY 50 HA3 GLY 50 -8.268 -14.815 -17.803 385 H LYS 51 H LYS 51 -7.113 -12.212 -15.742 386 HA LYS 51 HA LYS 51 -4.386 -13.240 -16.086 387 HB2 LYS 51 HB2 LYS 51 -5.493 -10.498 -15.539 388 HB3 LYS 51 HB3 LYS 51 -3.792 -10.867 -15.299 389 HG2 LYS 51 HG2 LYS 51 -5.208 -11.325 -17.910 390 HG3 LYS 51 HG3 LYS 51 -4.404 -9.808 -17.500 391 HD2 LYS 51 HD2 LYS 51 -2.317 -11.146 -17.076 392 HD3 LYS 51 HD3 LYS 51 -3.159 -12.543 -17.748 393 HE2 LYS 51 HE2 LYS 51 -3.390 -11.468 -19.873 394 HE3 LYS 51 HE3 LYS 51 -2.788 -9.943 -19.223 395 HZ1 LYS 51 HZ1 LYS 51 -1.248 -12.454 -19.611 396 HZ2 LYS 51 HZ2 LYS 51 -0.654 -11.098 -18.775 397 HZ3 LYS 51 HZ3 LYS 51 -1.036 -10.978 -20.425 398 H SER 52 H SER 52 -2.982 -12.209 -14.104 399 HA SER 52 HA SER 52 -4.317 -12.669 -11.567 400 HB2 SER 52 HB2 SER 52 -1.908 -14.292 -12.433 401 HB3 SER 52 HB3 SER 52 -2.672 -14.350 -10.845 402 HG SER 52 HG SER 52 -4.610 -14.751 -12.539 403 HA PRO 53 HA PRO 53 -1.499 -9.452 -10.322 404 HB2 PRO 53 HB2 PRO 53 -1.676 -10.485 -7.582 405 HB3 PRO 53 HB3 PRO 53 -2.244 -8.948 -8.235 406 HG2 PRO 53 HG2 PRO 53 -3.943 -10.898 -7.475 407 HG3 PRO 53 HG3 PRO 53 -4.300 -9.805 -8.825 408 HD2 PRO 53 HD2 PRO 53 -3.288 -12.626 -8.884 409 HD3 PRO 53 HD3 PRO 53 -4.511 -11.846 -9.911 410 H SER 54 H SER 54 0.651 -9.157 -9.641 411 HA SER 54 HA SER 54 2.190 -11.661 -9.506 412 HB2 SER 54 HB2 SER 54 2.649 -10.167 -11.438 413 HB3 SER 54 HB3 SER 54 3.125 -8.896 -10.315 414 HG SER 54 HG SER 54 4.533 -10.976 -9.610 415 H GLY 55 H GLY 55 0.991 -9.425 -7.481 416 HA2 GLY 55 HA2 GLY 55 2.904 -10.066 -5.425 417 HA3 GLY 55 HA3 GLY 55 2.906 -8.369 -5.890 418 HA PRO 56 HA PRO 56 -0.491 -9.231 -2.762 419 HB2 PRO 56 HB2 PRO 56 0.497 -7.800 -0.691 420 HB3 PRO 56 HB3 PRO 56 0.909 -9.498 -0.952 421 HG2 PRO 56 HG2 PRO 56 2.482 -7.040 -1.615 422 HG3 PRO 56 HG3 PRO 56 3.041 -8.579 -0.932 423 HD2 PRO 56 HD2 PRO 56 3.303 -7.920 -3.567 424 HD3 PRO 56 HD3 PRO 56 3.154 -9.591 -2.985 425 HA PRO 57 HA PRO 57 -2.313 -5.276 -3.689 426 HB2 PRO 57 HB2 PRO 57 -4.112 -5.691 -1.411 427 HB3 PRO 57 HB3 PRO 57 -4.488 -5.629 -3.134 428 HG2 PRO 57 HG2 PRO 57 -4.618 -7.920 -1.725 429 HG3 PRO 57 HG3 PRO 57 -4.133 -7.885 -3.430 430 HD2 PRO 57 HD2 PRO 57 -2.423 -8.094 -0.978 431 HD3 PRO 57 HD3 PRO 57 -2.290 -8.966 -2.521 432 H PHE 58 H PHE 58 -2.470 -3.155 -2.872 433 HA PHE 58 HA PHE 58 -1.084 -2.762 -0.293 434 HB2 PHE 58 HB2 PHE 58 -1.156 -0.884 -2.669 435 HB3 PHE 58 HB3 PHE 58 -0.237 -0.660 -1.187 436 HD1 PHE 58 HD2 PHE 58 1.764 -1.983 -0.757 437 HD2 PHE 58 HD1 PHE 58 -0.398 -2.353 -4.400 438 HE1 PHE 58 HE2 PHE 58 3.694 -3.114 -1.783 439 HE2 PHE 58 HE1 PHE 58 1.525 -3.485 -5.435 440 HZ PHE 58 HZ PHE 58 3.576 -3.866 -4.127 441 H ALA 59 H ALA 59 -1.596 -0.438 0.530 442 HA ALA 59 HA ALA 59 -4.180 0.590 -0.324 443 HB1 ALA 59 HB1 ALA 59 -3.560 -0.026 2.570 444 HB2 ALA 59 HB2 ALA 59 -4.750 -0.855 1.563 445 HB3 ALA 59 HB3 ALA 59 -4.979 0.843 1.984 446 H ARG 60 H ARG 60 -3.533 2.542 -0.993 447 HA ARG 60 HA ARG 60 -1.559 4.003 0.627 448 HB2 ARG 60 HB2 ARG 60 -0.928 3.676 -1.714 449 HB3 ARG 60 HB3 ARG 60 -2.436 4.397 -2.247 450 HG2 ARG 60 HG2 ARG 60 -0.609 6.018 -0.544 451 HG3 ARG 60 HG3 ARG 60 -0.191 5.760 -2.238 452 HD2 ARG 60 HD2 ARG 60 -2.351 6.664 -2.916 453 HD3 ARG 60 HD3 ARG 60 -2.799 6.887 -1.228 454 HE ARG 60 HE ARG 60 -0.383 8.256 -1.843 455 HH11 ARG 60 HH11 ARG 60 -3.845 8.420 -2.234 456 HH12 ARG 60 HH12 ARG 60 -3.900 10.157 -2.308 457 HH21 ARG 60 HH21 ARG 60 -0.423 10.552 -1.944 458 HH22 ARG 60 HH22 ARG 60 -1.946 11.365 -2.177 459 H TYR 61 H TYR 61 -2.237 5.632 1.844 460 HA TYR 61 HA TYR 61 -4.761 6.912 1.112 461 HB2 TYR 61 HB2 TYR 61 -5.279 6.996 3.611 462 HB3 TYR 61 HB3 TYR 61 -5.496 5.461 2.785 463 HD1 TYR 61 HD2 TYR 61 -3.682 3.695 3.045 464 HD2 TYR 61 HD1 TYR 61 -3.875 7.174 5.484 465 HE1 TYR 61 HE2 TYR 61 -2.263 2.592 4.719 466 HE2 TYR 61 HE1 TYR 61 -2.460 6.077 7.166 467 HH TYR 61 HH TYR 61 -2.012 3.456 7.763 468 H PHE 62 H PHE 62 -4.971 8.997 1.471 469 HA PHE 62 HA PHE 62 -2.643 10.455 2.530 470 HB2 PHE 62 HB2 PHE 62 -2.746 10.714 0.123 471 HB3 PHE 62 HB3 PHE 62 -4.451 11.142 0.200 472 HD1 PHE 62 HD2 PHE 62 -1.055 12.283 1.158 473 HD2 PHE 62 HD1 PHE 62 -5.113 13.372 0.479 474 HE1 PHE 62 HE2 PHE 62 -0.442 14.658 1.310 475 HE2 PHE 62 HE1 PHE 62 -4.503 15.750 0.628 476 HZ PHE 62 HZ PHE 62 -2.164 16.395 1.043 477 H GLY 63 H GLY 63 -3.016 12.072 3.934 478 HA2 GLY 63 HA2 GLY 63 -4.192 13.749 5.033 479 HA3 GLY 63 HA3 GLY 63 -5.663 13.218 4.233 480 H MET 64 H MET 64 -3.473 12.601 6.911 481 HA MET 64 HA MET 64 -5.628 11.055 8.185 482 HB2 MET 64 HB2 MET 64 -3.828 10.073 9.648 483 HB3 MET 64 HB3 MET 64 -3.775 9.588 7.961 484 HG2 MET 64 HG2 MET 64 -1.925 10.996 7.522 485 HG3 MET 64 HG3 MET 64 -2.082 11.801 9.082 486 HE1 MET 64 HE1 MET 64 -1.312 8.328 7.337 487 HE2 MET 64 HE2 MET 64 -2.525 7.950 8.559 488 HE3 MET 64 HE3 MET 64 -0.872 7.357 8.741 489 H SER 65 H SER 65 -6.708 12.723 9.091 490 HA SER 65 HA SER 65 -5.890 13.596 11.629 491 HB2 SER 65 HB2 SER 65 -4.405 15.098 10.338 492 HB3 SER 65 HB3 SER 65 -5.809 15.743 9.489 493 HG SER 65 HG SER 65 -6.052 17.067 11.086 494 H ALA 66 H ALA 66 -7.719 15.014 8.903 495 HA ALA 66 HA ALA 66 -10.264 14.286 9.903 496 HB1 ALA 66 HB1 ALA 66 -11.087 16.485 10.581 497 HB2 ALA 66 HB2 ALA 66 -9.479 17.166 10.347 498 HB3 ALA 66 HB3 ALA 66 -9.752 15.966 11.609 499 H GLY 67 H GLY 67 -12.032 15.313 8.632 500 HA2 GLY 67 HA2 GLY 67 -12.696 16.806 6.855 501 HA3 GLY 67 HA3 GLY 67 -11.088 16.623 6.165 502 H THR 68 H THR 68 -10.578 14.776 5.015 503 HA THR 68 HA THR 68 -12.618 12.760 4.563 504 HB THR 68 HB THR 68 -11.576 14.418 2.244 505 HG1 THR 68 HG1 THR 68 -13.672 14.796 3.922 506 HG21 THR 68 HG21 THR 68 -13.638 12.207 2.334 507 HG22 THR 68 HG22 THR 68 -12.016 12.077 1.653 508 HG23 THR 68 HG23 THR 68 -13.199 13.154 0.911 509 H PHE 69 H PHE 69 -11.741 10.814 3.895 510 HA PHE 69 HA PHE 69 -8.821 10.706 4.026 511 HB2 PHE 69 HB2 PHE 69 -10.697 9.244 5.297 512 HB3 PHE 69 HB3 PHE 69 -10.418 8.218 3.902 513 HD1 PHE 69 HD2 PHE 69 -8.521 10.080 6.507 514 HD2 PHE 69 HD1 PHE 69 -8.776 6.621 4.047 515 HE1 PHE 69 HE2 PHE 69 -6.547 9.141 7.634 516 HE2 PHE 69 HE1 PHE 69 -6.804 5.673 5.171 517 HZ PHE 69 HZ PHE 69 -5.687 6.935 6.968 518 H GLU 70 H GLU 70 -7.636 10.399 2.253 519 HA GLU 70 HA GLU 70 -9.044 9.739 -0.243 520 HB2 GLU 70 HB2 GLU 70 -7.593 11.763 -0.176 521 HB3 GLU 70 HB3 GLU 70 -6.209 10.728 0.147 522 HG2 GLU 70 HG2 GLU 70 -6.507 9.633 -2.005 523 HG3 GLU 70 HG3 GLU 70 -7.925 10.633 -2.325 524 H VAL 71 H VAL 71 -9.001 7.684 -0.958 525 HA VAL 71 HA VAL 71 -6.798 5.990 0.016 526 HB VAL 71 HB VAL 71 -8.356 4.104 0.214 527 HG11 VAL 71 HG11 VAL 71 -9.520 4.864 2.226 528 HG12 VAL 71 HG12 VAL 71 -9.214 6.540 1.771 529 HG13 VAL 71 HG13 VAL 71 -7.866 5.475 2.169 530 HG21 VAL 71 HG21 VAL 71 -10.511 6.129 -0.397 531 HG22 VAL 71 HG22 VAL 71 -10.785 4.486 0.180 532 HG23 VAL 71 HG23 VAL 71 -10.054 4.753 -1.403 533 H GLU 72 H GLU 72 -5.630 5.110 -1.506 534 HA GLU 72 HA GLU 72 -6.940 4.290 -4.016 535 HB2 GLU 72 HB2 GLU 72 -4.056 5.158 -3.672 536 HB3 GLU 72 HB3 GLU 72 -4.800 4.624 -5.172 537 HG2 GLU 72 HG2 GLU 72 -6.385 6.566 -4.938 538 HG3 GLU 72 HG3 GLU 72 -5.341 7.144 -3.639 539 H PHE 73 H PHE 73 -7.107 2.130 -4.018 540 HA PHE 73 HA PHE 73 -5.817 0.563 -2.049 541 HB2 PHE 73 HB2 PHE 73 -8.053 0.098 -3.132 542 HB3 PHE 73 HB3 PHE 73 -7.172 -0.451 -4.553 543 HD1 PHE 73 HD1 PHE 73 -7.650 -1.090 -0.938 544 HD2 PHE 73 HD2 PHE 73 -6.375 -2.646 -4.689 545 HE1 PHE 73 HE1 PHE 73 -7.496 -3.336 0.051 546 HE2 PHE 73 HE2 PHE 73 -6.221 -4.896 -3.707 547 HZ PHE 73 HZ PHE 73 -6.783 -5.244 -1.332 548 H GLY 74 H GLY 74 -5.532 0.326 -5.608 549 HA2 GLY 74 HA2 GLY 74 -3.708 -0.069 -6.941 550 HA3 GLY 74 HA3 GLY 74 -2.702 0.391 -5.579 551 H PHE 75 H PHE 75 -3.411 -2.059 -7.665 552 HA PHE 75 HA PHE 75 -1.917 -3.882 -5.923 553 HB2 PHE 75 HB2 PHE 75 -3.308 -5.793 -6.997 554 HB3 PHE 75 HB3 PHE 75 -3.989 -4.897 -5.649 555 HD1 PHE 75 HD1 PHE 75 -4.190 -5.523 -9.259 556 HD2 PHE 75 HD2 PHE 75 -5.878 -3.455 -5.944 557 HE1 PHE 75 HE1 PHE 75 -6.197 -5.021 -10.591 558 HE2 PHE 75 HE2 PHE 75 -7.884 -2.948 -7.272 559 HZ PHE 75 HZ PHE 75 -8.045 -3.732 -9.600 560 HA PRO 76 HA PRO 76 0.524 -4.141 -9.523 561 HB2 PRO 76 HB2 PRO 76 2.320 -5.950 -8.709 562 HB3 PRO 76 HB3 PRO 76 2.182 -4.369 -7.931 563 HG2 PRO 76 HG2 PRO 76 1.251 -7.032 -6.994 564 HG3 PRO 76 HG3 PRO 76 1.857 -5.658 -6.055 565 HD2 PRO 76 HD2 PRO 76 -0.841 -6.362 -6.448 566 HD3 PRO 76 HD3 PRO 76 -0.239 -4.835 -5.777 567 H VAL 77 H VAL 77 0.743 -5.206 -11.404 568 HA VAL 77 HA VAL 77 -0.477 -7.883 -11.585 569 HB VAL 77 HB VAL 77 -1.142 -7.320 -13.890 570 HG11 VAL 77 HG11 VAL 77 -2.962 -5.782 -13.327 571 HG12 VAL 77 HG12 VAL 77 -2.132 -5.344 -11.833 572 HG13 VAL 77 HG13 VAL 77 -2.726 -6.989 -12.062 573 HG21 VAL 77 HG21 VAL 77 -1.042 -4.978 -14.654 574 HG22 VAL 77 HG22 VAL 77 0.561 -5.673 -14.420 575 HG23 VAL 77 HG23 VAL 77 -0.103 -4.564 -13.219 576 H GLU 78 H GLU 78 0.249 -8.845 -13.893 577 HA GLU 78 HA GLU 78 3.091 -9.160 -13.600 578 HB2 GLU 78 HB2 GLU 78 2.584 -10.692 -15.732 579 HB3 GLU 78 HB3 GLU 78 2.282 -11.217 -14.084 580 HG2 GLU 78 HG2 GLU 78 0.394 -11.809 -15.380 581 HG3 GLU 78 HG3 GLU 78 -0.079 -10.456 -14.354 582 H GLY 79 H GLY 79 0.921 -7.603 -15.881 583 HA2 GLY 79 HA2 GLY 79 2.198 -5.507 -16.683 584 HA3 GLY 79 HA3 GLY 79 3.271 -6.695 -17.406 585 H GLY 80 H GLY 80 0.406 -8.167 -17.629 586 HA2 GLY 80 HA2 GLY 80 0.008 -7.132 -20.356 587 HA3 GLY 80 HA3 GLY 80 -0.444 -8.736 -19.797 588 H VAL 81 H VAL 81 -1.471 -7.251 -17.278 589 HA VAL 81 HA VAL 81 -4.189 -7.043 -18.117 590 HB VAL 81 HB VAL 81 -3.103 -5.911 -15.548 591 HG11 VAL 81 HG11 VAL 81 -5.301 -6.530 -14.667 592 HG12 VAL 81 HG12 VAL 81 -5.764 -7.123 -16.263 593 HG13 VAL 81 HG13 VAL 81 -5.422 -5.410 -16.023 594 HG21 VAL 81 HG21 VAL 81 -3.451 -8.108 -14.514 595 HG22 VAL 81 HG22 VAL 81 -2.196 -8.157 -15.752 596 HG23 VAL 81 HG23 VAL 81 -3.805 -8.790 -16.101 597 H GLU 82 H GLU 82 -5.496 -5.194 -18.174 598 HA GLU 82 HA GLU 82 -4.145 -2.601 -18.245 599 HB2 GLU 82 HB2 GLU 82 -5.621 -3.913 -20.484 600 HB3 GLU 82 HB3 GLU 82 -5.749 -2.169 -20.300 601 HG2 GLU 82 HG2 GLU 82 -3.149 -3.667 -20.528 602 HG3 GLU 82 HG3 GLU 82 -3.986 -2.904 -21.880 603 H GLY 83 H GLY 83 -5.331 -0.934 -17.501 604 HA2 GLY 83 HA2 GLY 83 -7.611 -1.451 -15.929 605 HA3 GLY 83 HA3 GLY 83 -7.001 0.139 -16.366 606 H SER 84 H SER 84 -9.748 -0.834 -16.177 607 HA SER 84 HA SER 84 -10.702 0.153 -18.717 608 HB2 SER 84 HB2 SER 84 -11.545 -2.598 -17.757 609 HB3 SER 84 HB3 SER 84 -12.139 -1.766 -19.193 610 HG SER 84 HG SER 84 -9.452 -1.869 -19.244 611 H GLY 85 H GLY 85 -12.085 1.669 -18.094 612 HA2 GLY 85 HA2 GLY 85 -14.132 2.420 -17.255 613 HA3 GLY 85 HA3 GLY 85 -14.270 0.943 -16.314 614 H ARG 86 H ARG 86 -13.866 1.039 -14.201 615 HA ARG 86 HA ARG 86 -13.287 3.603 -13.049 616 HB2 ARG 86 HB2 ARG 86 -13.521 2.376 -10.859 617 HB3 ARG 86 HB3 ARG 86 -14.931 2.330 -11.907 618 HG2 ARG 86 HG2 ARG 86 -14.637 0.086 -12.418 619 HG3 ARG 86 HG3 ARG 86 -12.938 0.097 -11.945 620 HD2 ARG 86 HD2 ARG 86 -14.413 -1.098 -10.347 621 HD3 ARG 86 HD3 ARG 86 -13.526 0.239 -9.622 622 HE ARG 86 HE ARG 86 -15.681 1.527 -9.924 623 HH11 ARG 86 HH11 ARG 86 -15.625 -1.952 -9.524 624 HH12 ARG 86 HH12 ARG 86 -17.181 -2.030 -8.761 625 HH21 ARG 86 HH21 ARG 86 -17.722 1.442 -8.895 626 HH22 ARG 86 HH22 ARG 86 -18.376 -0.092 -8.398 627 H VAL 87 H VAL 87 -11.564 0.528 -13.322 628 HA VAL 87 HA VAL 87 -9.368 1.595 -11.713 629 HB VAL 87 HB VAL 87 -9.581 -1.146 -12.965 630 HG11 VAL 87 HG11 VAL 87 -7.326 -0.499 -12.340 631 HG12 VAL 87 HG12 VAL 87 -7.927 -1.768 -11.271 632 HG13 VAL 87 HG13 VAL 87 -7.875 -0.094 -10.713 633 HG21 VAL 87 HG21 VAL 87 -10.376 -0.288 -10.186 634 HG22 VAL 87 HG22 VAL 87 -10.339 -1.947 -10.785 635 HG23 VAL 87 HG23 VAL 87 -11.472 -0.786 -11.474 636 H VAL 88 H VAL 88 -7.458 2.256 -12.580 637 HA VAL 88 HA VAL 88 -7.148 1.887 -15.495 638 HB VAL 88 HB VAL 88 -5.949 4.050 -15.557 639 HG11 VAL 88 HG11 VAL 88 -8.299 3.967 -16.156 640 HG12 VAL 88 HG12 VAL 88 -7.927 5.488 -15.344 641 HG13 VAL 88 HG13 VAL 88 -8.758 4.200 -14.470 642 HG21 VAL 88 HG21 VAL 88 -5.191 4.188 -13.266 643 HG22 VAL 88 HG22 VAL 88 -6.853 4.286 -12.687 644 HG23 VAL 88 HG23 VAL 88 -6.175 5.602 -13.646 645 H THR 89 H THR 89 -4.995 1.694 -16.300 646 HA THR 89 HA THR 89 -3.225 0.269 -14.564 647 HB THR 89 HB THR 89 -2.379 1.382 -17.225 648 HG1 THR 89 HG1 THR 89 -3.245 -0.791 -17.984 649 HG21 THR 89 HG21 THR 89 -1.129 -0.738 -17.341 650 HG22 THR 89 HG22 THR 89 -1.756 -1.172 -15.749 651 HG23 THR 89 HG23 THR 89 -0.694 0.226 -15.928 652 H GLY 90 H GLY 90 -1.139 0.874 -13.949 653 HA2 GLY 90 HA2 GLY 90 -0.015 3.429 -14.428 654 HA3 GLY 90 HA3 GLY 90 -0.828 3.402 -12.865 655 H LEU 91 H LEU 91 1.181 3.667 -11.798 656 HA LEU 91 HA LEU 91 2.456 1.161 -11.222 657 HB2 LEU 91 HB2 LEU 91 4.715 1.817 -11.741 658 HB3 LEU 91 HB3 LEU 91 3.738 1.883 -13.191 659 HG LEU 91 HG LEU 91 4.441 4.336 -11.574 660 HD11 LEU 91 HD11 LEU 91 5.823 3.198 -14.001 661 HD12 LEU 91 HD12 LEU 91 6.482 3.252 -12.366 662 HD13 LEU 91 HD13 LEU 91 6.174 4.751 -13.243 663 HD21 LEU 91 HD21 LEU 91 3.475 3.997 -14.415 664 HD22 LEU 91 HD22 LEU 91 3.858 5.525 -13.623 665 HD23 LEU 91 HD23 LEU 91 2.496 4.555 -13.059 666 H THR 92 H THR 92 4.264 1.572 -9.557 667 HA THR 92 HA THR 92 3.102 3.162 -7.469 668 HB THR 92 HB THR 92 5.243 2.291 -6.251 669 HG1 THR 92 HG1 THR 92 6.484 0.988 -7.387 670 HG21 THR 92 HG21 THR 92 4.165 0.124 -5.845 671 HG22 THR 92 HG22 THR 92 3.126 0.375 -7.248 672 HG23 THR 92 HG23 THR 92 2.982 1.434 -5.845 673 HA PRO 93 HA PRO 93 5.615 6.763 -8.065 674 HB2 PRO 93 HB2 PRO 93 5.222 7.442 -5.261 675 HB3 PRO 93 HB3 PRO 93 4.537 8.207 -6.696 676 HG2 PRO 93 HG2 PRO 93 3.055 6.768 -4.925 677 HG3 PRO 93 HG3 PRO 93 2.647 6.915 -6.643 678 HD2 PRO 93 HD2 PRO 93 3.985 4.660 -5.198 679 HD3 PRO 93 HD3 PRO 93 2.764 4.608 -6.487 680 H SER 94 H SER 94 7.769 6.753 -8.135 681 HA SER 94 HA SER 94 9.321 5.294 -6.209 682 HB2 SER 94 HB2 SER 94 11.253 6.228 -7.599 683 HB3 SER 94 HB3 SER 94 10.113 5.179 -8.441 684 HG SER 94 HG SER 94 10.098 6.823 -9.788 685 H GLY 95 H GLY 95 10.489 6.076 -4.540 686 HA2 GLY 95 HA2 GLY 95 11.541 8.590 -4.173 687 HA3 GLY 95 HA3 GLY 95 9.891 8.696 -3.572 688 H LYS 96 H LYS 96 11.153 9.194 -1.558 689 HA LYS 96 HA LYS 96 12.102 6.735 -0.231 690 HB2 LYS 96 HB2 LYS 96 12.635 9.634 0.467 691 HB3 LYS 96 HB3 LYS 96 13.272 8.241 1.329 692 HG2 LYS 96 HG2 LYS 96 13.828 8.654 -1.585 693 HG3 LYS 96 HG3 LYS 96 14.793 9.440 -0.338 694 HD2 LYS 96 HD2 LYS 96 15.347 7.257 0.618 695 HD3 LYS 96 HD3 LYS 96 14.367 6.466 -0.620 696 HE2 LYS 96 HE2 LYS 96 15.829 7.118 -2.345 697 HE3 LYS 96 HE3 LYS 96 16.640 8.297 -1.318 698 HZ1 LYS 96 HZ1 LYS 96 16.783 5.340 -0.995 699 HZ2 LYS 96 HZ2 LYS 96 17.572 6.492 -0.022 700 HZ3 LYS 96 HZ3 LYS 96 17.990 6.332 -1.656 701 H ALA 97 H ALA 97 10.900 5.912 1.357 702 HA ALA 97 HA ALA 97 9.184 7.686 2.931 703 HB1 ALA 97 HB1 ALA 97 7.277 6.160 2.745 704 HB2 ALA 97 HB2 ALA 97 8.183 5.163 1.608 705 HB3 ALA 97 HB3 ALA 97 7.735 6.812 1.173 706 H ALA 98 H ALA 98 8.590 6.808 4.987 707 HA ALA 98 HA ALA 98 10.584 4.936 5.994 708 HB1 ALA 98 HB1 ALA 98 10.217 7.032 7.214 709 HB2 ALA 98 HB2 ALA 98 9.842 5.626 8.211 710 HB3 ALA 98 HB3 ALA 98 8.538 6.571 7.493 711 H SER 99 H SER 99 10.154 2.867 6.456 712 HA SER 99 HA SER 99 7.324 2.056 6.541 713 HB2 SER 99 HB2 SER 99 8.510 1.487 4.382 714 HB3 SER 99 HB3 SER 99 9.559 0.427 5.320 715 HG SER 99 HG SER 99 6.859 0.054 5.750 716 H SER 100 H SER 100 6.735 0.620 8.071 717 HA SER 100 HA SER 100 8.823 -0.677 9.678 718 HB2 SER 100 HB2 SER 100 7.893 1.323 10.890 719 HB3 SER 100 HB3 SER 100 6.302 0.568 10.820 720 HG SER 100 HG SER 100 8.615 -0.496 12.088 721 H LEU 101 H LEU 101 8.228 -2.732 10.479 722 HA LEU 101 HA LEU 101 5.967 -3.883 8.989 723 HB2 LEU 101 HB2 LEU 101 8.394 -4.609 8.548 724 HB3 LEU 101 HB3 LEU 101 8.313 -5.409 10.102 725 HG LEU 101 HG LEU 101 6.322 -6.029 7.936 726 HD11 LEU 101 HD11 LEU 101 9.004 -7.336 8.371 727 HD12 LEU 101 HD12 LEU 101 8.546 -6.349 6.983 728 HD13 LEU 101 HD13 LEU 101 7.747 -7.894 7.268 729 HD21 LEU 101 HD21 LEU 101 5.841 -6.786 10.231 730 HD22 LEU 101 HD22 LEU 101 7.380 -7.644 10.253 731 HD23 LEU 101 HD23 LEU 101 6.116 -8.131 9.125 732 H TYR 102 H TYR 102 4.260 -4.419 10.152 733 HA TYR 102 HA TYR 102 4.586 -4.839 13.028 734 HB2 TYR 102 HB2 TYR 102 2.064 -4.513 13.087 735 HB3 TYR 102 HB3 TYR 102 3.036 -3.103 12.709 736 HD1 TYR 102 HD2 TYR 102 3.267 -2.458 10.247 737 HD2 TYR 102 HD1 TYR 102 0.315 -5.167 11.667 738 HE1 TYR 102 HE2 TYR 102 1.936 -2.051 8.228 739 HE2 TYR 102 HE1 TYR 102 -1.034 -4.762 9.647 740 HH TYR 102 HH TYR 102 -1.244 -2.815 7.903 741 H ILE 103 H ILE 103 4.154 -6.721 13.969 742 HA ILE 103 HA ILE 103 3.379 -8.958 12.238 743 HB ILE 103 HB ILE 103 4.723 -8.953 14.951 744 HG12 ILE 103 HG12 ILE 103 6.146 -8.190 13.054 745 HG13 ILE 103 HG13 ILE 103 6.715 -9.690 13.778 746 HG21 ILE 103 HG21 ILE 103 4.054 -11.267 13.136 747 HG22 ILE 103 HG22 ILE 103 3.323 -10.921 14.703 748 HG23 ILE 103 HG23 ILE 103 5.026 -11.369 14.604 749 HD11 ILE 103 HD11 ILE 103 6.875 -9.765 11.359 750 HD12 ILE 103 HD12 ILE 103 5.147 -9.448 11.219 751 HD13 ILE 103 HD13 ILE 103 5.711 -10.952 11.945 752 H GLY 104 H GLY 104 1.291 -9.544 12.333 753 HA2 GLY 104 HA2 GLY 104 -0.224 -10.659 14.048 754 HA3 GLY 104 HA3 GLY 104 -0.122 -9.119 14.889 755 HA PRO 105 HA PRO 105 -3.845 -8.925 12.231 756 HB2 PRO 105 HB2 PRO 105 -5.524 -7.960 14.084 757 HB3 PRO 105 HB3 PRO 105 -5.087 -9.672 14.030 758 HG2 PRO 105 HG2 PRO 105 -4.056 -7.508 15.816 759 HG3 PRO 105 HG3 PRO 105 -4.467 -9.188 16.210 760 HD2 PRO 105 HD2 PRO 105 -1.911 -8.273 15.761 761 HD3 PRO 105 HD3 PRO 105 -2.423 -9.960 15.559 762 H TYR 106 H TYR 106 -5.534 -6.966 12.184 763 HA TYR 106 HA TYR 106 -3.871 -4.606 11.749 764 HB2 TYR 106 HB2 TYR 106 -5.320 -5.496 9.901 765 HB3 TYR 106 HB3 TYR 106 -6.728 -5.079 10.871 766 HD1 TYR 106 HD2 TYR 106 -3.557 -3.241 10.205 767 HD2 TYR 106 HD1 TYR 106 -7.795 -3.291 9.844 768 HE1 TYR 106 HE2 TYR 106 -3.499 -0.964 9.297 769 HE2 TYR 106 HE1 TYR 106 -7.749 -1.009 8.927 770 HH TYR 106 HH TYR 106 -4.887 0.464 7.850 771 H GLY 107 H GLY 107 -4.262 -2.648 12.686 772 HA2 GLY 107 HA2 GLY 107 -5.779 -1.203 13.987 773 HA3 GLY 107 HA3 GLY 107 -6.233 -2.644 14.891 774 H GLU 108 H GLU 108 -3.366 -3.530 14.759 775 HA GLU 108 HA GLU 108 -2.536 -2.202 17.198 776 HB2 GLU 108 HB2 GLU 108 -2.510 -4.712 16.816 777 HB3 GLU 108 HB3 GLU 108 -1.153 -4.456 15.731 778 HG2 GLU 108 HG2 GLU 108 0.254 -3.772 17.468 779 HG3 GLU 108 HG3 GLU 108 -1.096 -3.513 18.574 780 H ILE 109 H ILE 109 -2.487 -0.728 14.701 781 HA ILE 109 HA ILE 109 0.202 -0.517 13.745 782 HB ILE 109 HB ILE 109 -2.029 1.494 13.417 783 HG12 ILE 109 HG12 ILE 109 -2.700 -0.825 12.728 784 HG13 ILE 109 HG13 ILE 109 -2.714 0.348 11.417 785 HG21 ILE 109 HG21 ILE 109 0.396 0.927 11.721 786 HG22 ILE 109 HG22 ILE 109 0.167 2.321 12.777 787 HG23 ILE 109 HG23 ILE 109 -0.862 2.110 11.360 788 HD11 ILE 109 HD11 ILE 109 -1.792 -1.793 10.702 789 HD12 ILE 109 HD12 ILE 109 -0.540 -1.675 11.941 790 HD13 ILE 109 HD13 ILE 109 -0.580 -0.514 10.614 791 H GLU 110 H GLU 110 -1.501 0.685 16.435 792 HA GLU 110 HA GLU 110 -0.350 3.143 16.984 793 HB2 GLU 110 HB2 GLU 110 -1.165 0.916 18.856 794 HB3 GLU 110 HB3 GLU 110 -0.734 2.532 19.396 795 HG2 GLU 110 HG2 GLU 110 -2.860 2.243 17.339 796 HG3 GLU 110 HG3 GLU 110 -3.235 1.834 19.012 797 H ALA 111 H ALA 111 0.917 -0.091 17.564 798 HA ALA 111 HA ALA 111 3.116 0.606 19.156 799 HB1 ALA 111 HB1 ALA 111 2.835 -1.738 17.284 800 HB2 ALA 111 HB2 ALA 111 2.269 -1.679 18.953 801 HB3 ALA 111 HB3 ALA 111 3.997 -1.592 18.604 802 H VAL 112 H VAL 112 2.752 0.428 15.632 803 HA VAL 112 HA VAL 112 5.534 0.950 15.206 804 HB VAL 112 HB VAL 112 5.129 0.818 12.915 805 HG11 VAL 112 HG11 VAL 112 3.170 -1.025 14.243 806 HG12 VAL 112 HG12 VAL 112 4.896 -1.309 14.014 807 HG13 VAL 112 HG13 VAL 112 3.822 -1.225 12.617 808 HG21 VAL 112 HG21 VAL 112 2.936 0.901 11.849 809 HG22 VAL 112 HG22 VAL 112 3.302 2.399 12.704 810 HG23 VAL 112 HG23 VAL 112 2.194 1.225 13.416 811 H TYR 113 H TYR 113 2.585 2.822 15.456 812 HA TYR 113 HA TYR 113 3.506 5.277 14.444 813 HB2 TYR 113 HB2 TYR 113 1.549 4.649 16.657 814 HB3 TYR 113 HB3 TYR 113 1.906 6.296 16.158 815 HD1 TYR 113 HD2 TYR 113 2.054 5.913 13.197 816 HD2 TYR 113 HD1 TYR 113 -0.690 4.395 16.070 817 HE1 TYR 113 HE2 TYR 113 0.321 5.772 11.459 818 HE2 TYR 113 HE1 TYR 113 -2.430 4.246 14.341 819 HH TYR 113 HH TYR 113 -1.762 4.535 11.026 820 H ASP 114 H ASP 114 3.732 3.839 17.669 821 HA ASP 114 HA ASP 114 5.046 5.963 18.947 822 HB2 ASP 114 HB2 ASP 114 4.028 4.035 20.121 823 HB3 ASP 114 HB3 ASP 114 5.327 3.008 19.522 824 H ALA 115 H ALA 115 6.274 3.374 16.929 825 HA ALA 115 HA ALA 115 9.032 3.875 17.487 826 HB1 ALA 115 HB1 ALA 115 8.273 1.703 16.675 827 HB2 ALA 115 HB2 ALA 115 9.470 2.401 15.585 828 HB3 ALA 115 HB3 ALA 115 7.761 2.439 15.157 829 H LEU 116 H LEU 116 6.732 4.983 15.064 830 HA LEU 116 HA LEU 116 8.711 6.189 13.398 831 HB2 LEU 116 HB2 LEU 116 5.772 5.979 13.411 832 HB3 LEU 116 HB3 LEU 116 6.422 7.410 12.633 833 HG LEU 116 HG LEU 116 6.036 5.669 10.993 834 HD11 LEU 116 HD11 LEU 116 7.911 7.159 10.612 835 HD12 LEU 116 HD12 LEU 116 8.275 5.542 10.006 836 HD13 LEU 116 HD13 LEU 116 8.972 6.089 11.531 837 HD21 LEU 116 HD21 LEU 116 7.938 3.996 12.626 838 HD22 LEU 116 HD22 LEU 116 7.289 3.564 11.043 839 HD23 LEU 116 HD23 LEU 116 6.209 3.716 12.430 840 H MET 117 H MET 117 6.719 7.337 16.061 841 HA MET 117 HA MET 117 6.803 10.074 15.574 842 HB2 MET 117 HB2 MET 117 6.362 10.435 17.921 843 HB3 MET 117 HB3 MET 117 5.447 9.039 17.370 844 HG2 MET 117 HG2 MET 117 6.916 7.538 18.467 845 HG3 MET 117 HG3 MET 117 8.084 8.814 18.795 846 HE1 MET 117 HE1 MET 117 6.328 11.212 19.749 847 HE2 MET 117 HE2 MET 117 7.773 10.695 20.616 848 HE3 MET 117 HE3 MET 117 6.266 10.954 21.494 849 H LYS 118 H LYS 118 9.209 8.033 17.172 850 HA LYS 118 HA LYS 118 10.961 10.241 17.722 851 HB2 LYS 118 HB2 LYS 118 11.047 8.303 19.170 852 HB3 LYS 118 HB3 LYS 118 11.421 7.256 17.807 853 HG2 LYS 118 HG2 LYS 118 13.554 8.407 17.502 854 HG3 LYS 118 HG3 LYS 118 13.182 9.461 18.866 855 HD2 LYS 118 HD2 LYS 118 13.172 7.569 20.371 856 HD3 LYS 118 HD3 LYS 118 13.414 6.457 19.021 857 HE2 LYS 118 HE2 LYS 118 15.509 6.838 20.193 858 HE3 LYS 118 HE3 LYS 118 15.584 7.500 18.561 859 HZ1 LYS 118 HZ1 LYS 118 15.192 9.701 19.455 860 HZ2 LYS 118 HZ2 LYS 118 16.551 9.002 20.190 861 HZ3 LYS 118 HZ3 LYS 118 15.077 9.075 21.029 862 H TRP 119 H TRP 119 10.890 7.587 15.383 863 HA TRP 119 HA TRP 119 13.393 7.976 14.247 864 HB2 TRP 119 HB2 TRP 119 11.840 6.003 13.948 865 HB3 TRP 119 HB3 TRP 119 10.957 6.969 12.773 866 HD1 TRP 119 HD1 TRP 119 14.155 4.970 13.212 867 HE1 TRP 119 HE1 TRP 119 15.316 4.707 10.928 868 HE3 TRP 119 HE3 TRP 119 11.280 8.193 10.476 869 HZ2 TRP 119 HZ2 TRP 119 15.043 5.741 8.316 870 HZ3 TRP 119 HZ3 TRP 119 11.799 8.498 8.091 871 HH2 TRP 119 HH2 TRP 119 13.641 7.298 7.034 872 H VAL 120 H VAL 120 10.270 9.398 13.326 873 HA VAL 120 HA VAL 120 11.182 10.554 10.922 874 HB VAL 120 HB VAL 120 8.798 10.192 11.437 875 HG11 VAL 120 HG11 VAL 120 7.562 11.846 12.774 876 HG12 VAL 120 HG12 VAL 120 9.099 12.542 13.288 877 HG13 VAL 120 HG13 VAL 120 8.685 10.888 13.739 878 HG21 VAL 120 HG21 VAL 120 9.526 13.029 10.753 879 HG22 VAL 120 HG22 VAL 120 7.973 12.260 10.421 880 HG23 VAL 120 HG23 VAL 120 9.437 11.670 9.632 881 H ASP 121 H ASP 121 10.878 11.882 14.187 882 HA ASP 121 HA ASP 121 11.856 14.472 13.487 883 HB2 ASP 121 HB2 ASP 121 10.457 14.207 15.452 884 HB3 ASP 121 HB3 ASP 121 11.623 13.103 16.176 885 H ASP 122 H ASP 122 13.286 11.531 14.742 886 HA ASP 122 HA ASP 122 15.822 12.533 15.410 887 HB2 ASP 122 HB2 ASP 122 15.044 10.350 16.171 888 HB3 ASP 122 HB3 ASP 122 15.006 9.758 14.515 889 H ASN 123 H ASN 123 14.743 10.874 12.435 890 HA ASN 123 HA ASN 123 17.252 11.308 11.132 891 HB2 ASN 123 HB2 ASN 123 15.344 9.490 10.763 892 HB3 ASN 123 HB3 ASN 123 14.780 10.674 9.587 893 HD21 ASN 123 HD21 ASN 123 15.902 7.976 9.251 894 HD22 ASN 123 HD22 ASN 123 17.239 8.166 8.180 895 H GLY 124 H GLY 124 14.062 12.835 11.053 896 HA2 GLY 124 HA2 GLY 124 13.712 15.130 10.747 897 HA3 GLY 124 HA3 GLY 124 15.343 15.273 10.111 898 H PHE 125 H PHE 125 12.280 13.636 9.217 899 HA PHE 125 HA PHE 125 12.665 14.704 6.510 900 HB2 PHE 125 HB2 PHE 125 11.736 11.993 7.389 901 HB3 PHE 125 HB3 PHE 125 11.335 12.631 5.811 902 HD1 PHE 125 HD1 PHE 125 13.467 13.646 4.528 903 HD2 PHE 125 HD2 PHE 125 13.569 10.631 7.527 904 HE1 PHE 125 HE1 PHE 125 15.628 12.861 3.655 905 HE2 PHE 125 HE2 PHE 125 15.734 9.843 6.663 906 HZ PHE 125 HZ PHE 125 16.765 10.957 4.725 907 H ASP 126 H ASP 126 10.752 15.148 5.319 908 HA ASP 126 HA ASP 126 8.312 15.524 6.924 909 HB2 ASP 126 HB2 ASP 126 9.607 17.634 6.918 910 HB3 ASP 126 HB3 ASP 126 9.613 17.619 5.160 911 H LEU 127 H LEU 127 6.393 15.317 5.743 912 HA LEU 127 HA LEU 127 6.645 14.787 2.864 913 HB2 LEU 127 HB2 LEU 127 6.710 12.681 4.389 914 HB3 LEU 127 HB3 LEU 127 5.004 12.983 4.615 915 HG LEU 127 HG LEU 127 4.647 12.758 2.190 916 HD11 LEU 127 HD11 LEU 127 6.450 11.887 0.783 917 HD12 LEU 127 HD12 LEU 127 7.577 12.030 2.133 918 HD13 LEU 127 HD13 LEU 127 6.855 13.477 1.430 919 HD21 LEU 127 HD21 LEU 127 6.096 10.444 3.471 920 HD22 LEU 127 HD22 LEU 127 5.011 10.345 2.085 921 HD23 LEU 127 HD23 LEU 127 4.387 10.830 3.661 922 H SER 128 H SER 128 4.515 14.783 1.758 923 HA SER 128 HA SER 128 2.866 16.902 2.748 924 HB2 SER 128 HB2 SER 128 3.356 16.530 0.322 925 HB3 SER 128 HB3 SER 128 2.346 15.086 0.380 926 HG SER 128 HG SER 128 0.802 16.844 1.375 927 H GLY 129 H GLY 129 2.767 13.451 2.976 928 HA2 GLY 129 HA2 GLY 129 1.207 12.881 4.921 929 HA3 GLY 129 HA3 GLY 129 -0.030 13.604 3.909 930 H GLU 130 H GLU 130 2.564 11.588 2.676 931 HA GLU 130 HA GLU 130 0.612 9.768 1.546 932 HB2 GLU 130 HB2 GLU 130 3.626 9.636 1.348 933 HB3 GLU 130 HB3 GLU 130 2.459 8.834 0.309 934 HG2 GLU 130 HG2 GLU 130 2.829 11.813 0.501 935 HG3 GLU 130 HG3 GLU 130 3.540 10.783 -0.740 936 H ALA 131 H ALA 131 -0.134 8.146 2.826 937 HA ALA 131 HA ALA 131 1.930 6.536 4.223 938 HB1 ALA 131 HB1 ALA 131 0.355 6.102 6.031 939 HB2 ALA 131 HB2 ALA 131 -0.837 7.153 5.268 940 HB3 ALA 131 HB3 ALA 131 0.672 7.830 5.878 941 H TYR 132 H TYR 132 1.844 4.395 3.707 942 HA TYR 132 HA TYR 132 -0.649 3.300 2.673 943 HB2 TYR 132 HB2 TYR 132 0.312 2.395 0.661 944 HB3 TYR 132 HB3 TYR 132 0.610 4.128 0.683 945 HD1 TYR 132 HD1 TYR 132 2.889 4.994 0.959 946 HD2 TYR 132 HD2 TYR 132 2.128 0.805 0.854 947 HE1 TYR 132 HE1 TYR 132 5.284 4.568 0.604 948 HE2 TYR 132 HE2 TYR 132 4.521 0.374 0.503 949 HH TYR 132 HH TYR 132 6.895 2.825 0.886 950 H GLU 133 H GLU 133 -0.939 1.166 3.110 951 HA GLU 133 HA GLU 133 1.342 -0.226 4.339 952 HB2 GLU 133 HB2 GLU 133 -0.398 -1.543 5.611 953 HB3 GLU 133 HB3 GLU 133 -0.209 0.136 6.085 954 HG2 GLU 133 HG2 GLU 133 -2.201 0.690 4.711 955 HG3 GLU 133 HG3 GLU 133 -2.414 -1.035 4.409 956 H ILE 134 H ILE 134 1.435 -2.528 4.025 957 HA ILE 134 HA ILE 134 0.327 -3.272 1.392 958 HB ILE 134 HB ILE 134 2.830 -4.346 2.709 959 HG12 ILE 134 HG12 ILE 134 2.574 -2.310 0.481 960 HG13 ILE 134 HG13 ILE 134 3.037 -1.944 2.140 961 HG21 ILE 134 HG21 ILE 134 1.770 -4.643 -0.103 962 HG22 ILE 134 HG22 ILE 134 1.799 -5.896 1.138 963 HG23 ILE 134 HG23 ILE 134 3.312 -5.267 0.487 964 HD11 ILE 134 HD11 ILE 134 4.574 -3.699 0.240 965 HD12 ILE 134 HD12 ILE 134 5.043 -3.290 1.889 966 HD13 ILE 134 HD13 ILE 134 4.966 -2.032 0.657 967 H TYR 135 H TYR 135 -1.117 -4.904 1.388 968 HA TYR 135 HA TYR 135 -1.318 -6.525 3.824 969 HB2 TYR 135 HB2 TYR 135 -3.296 -5.937 1.628 970 HB3 TYR 135 HB3 TYR 135 -3.569 -7.186 2.838 971 HD1 TYR 135 HD2 TYR 135 -3.009 -6.222 5.353 972 HD2 TYR 135 HD1 TYR 135 -4.390 -3.956 2.028 973 HE1 TYR 135 HE2 TYR 135 -3.945 -4.554 6.889 974 HE2 TYR 135 HE1 TYR 135 -5.331 -2.278 3.557 975 HH TYR 135 HH TYR 135 -4.491 -2.003 6.703 976 H LEU 136 H LEU 136 -0.319 -8.390 3.770 977 HA LEU 136 HA LEU 136 -0.661 -10.111 1.421 978 HB2 LEU 136 HB2 LEU 136 1.645 -10.881 1.538 979 HB3 LEU 136 HB3 LEU 136 1.592 -9.157 1.245 980 HG LEU 136 HG LEU 136 2.042 -10.273 4.009 981 HD11 LEU 136 HD11 LEU 136 4.427 -10.021 3.635 982 HD12 LEU 136 HD12 LEU 136 4.136 -9.562 1.958 983 HD13 LEU 136 HD13 LEU 136 3.750 -11.194 2.506 984 HD21 LEU 136 HD21 LEU 136 3.111 -8.085 4.358 985 HD22 LEU 136 HD22 LEU 136 1.417 -7.925 3.891 986 HD23 LEU 136 HD23 LEU 136 2.690 -7.627 2.707 987 H ASP 137 H ASP 137 -1.823 -9.826 4.136 988 HA ASP 137 HA ASP 137 -0.893 -12.265 5.466 989 HB2 ASP 137 HB2 ASP 137 -1.959 -11.411 7.449 990 HB3 ASP 137 HB3 ASP 137 -0.999 -10.112 6.747 991 H ASN 138 H ASN 138 -2.749 -13.407 6.677 992 HA ASN 138 HA ASN 138 -5.376 -13.219 5.562 993 HB2 ASN 138 HB2 ASN 138 -4.195 -14.657 3.875 994 HB3 ASN 138 HB3 ASN 138 -3.892 -15.828 5.156 995 HD21 ASN 138 HD21 ASN 138 -5.086 -17.424 4.124 996 HD22 ASN 138 HD22 ASN 138 -6.810 -17.377 4.044 997 HA PRO 139 HA PRO 139 -5.017 -14.155 10.070 998 HB2 PRO 139 HB2 PRO 139 -7.540 -13.079 10.519 999 HB3 PRO 139 HB3 PRO 139 -6.013 -12.203 10.649 1000 HG2 PRO 139 HG2 PRO 139 -7.955 -12.299 8.379 1001 HG3 PRO 139 HG3 PRO 139 -7.028 -10.922 9.009 1002 HD2 PRO 139 HD2 PRO 139 -6.276 -12.160 6.774 1003 HD3 PRO 139 HD3 PRO 139 -5.075 -11.595 7.949 1004 H ALA 140 H ALA 140 -6.136 -15.526 11.431 1005 HA ALA 140 HA ALA 140 -7.497 -17.183 12.147 1006 HB1 ALA 140 HB1 ALA 140 -9.148 -16.681 9.680 1007 HB2 ALA 140 HB2 ALA 140 -9.396 -15.940 11.261 1008 HB3 ALA 140 HB3 ALA 140 -9.611 -17.679 11.058 1009 H GLU 141 H GLU 141 -6.548 -17.268 8.767 1010 HA GLU 141 HA GLU 141 -6.575 -20.181 8.767 1011 HB2 GLU 141 HB2 GLU 141 -7.282 -18.858 6.752 1012 HB3 GLU 141 HB3 GLU 141 -5.613 -18.328 6.581 1013 HG2 GLU 141 HG2 GLU 141 -4.935 -20.707 6.376 1014 HG3 GLU 141 HG3 GLU 141 -6.639 -21.152 6.400 1015 H THR 142 H THR 142 -4.208 -17.556 8.402 1016 HA THR 142 HA THR 142 -2.111 -19.482 9.159 1017 HB THR 142 HB THR 142 -1.886 -18.388 6.885 1018 HG1 THR 142 HG1 THR 142 -0.079 -19.204 8.179 1019 HG21 THR 142 HG21 THR 142 -1.326 -15.928 8.539 1020 HG22 THR 142 HG22 THR 142 -2.696 -16.158 7.451 1021 HG23 THR 142 HG23 THR 142 -1.057 -16.085 6.803 1022 H ALA 143 H ALA 143 -0.398 -18.581 10.587 1023 HA ALA 143 HA ALA 143 -1.673 -17.258 12.781 1024 HB1 ALA 143 HB1 ALA 143 -0.086 -19.076 13.134 1025 HB2 ALA 143 HB2 ALA 143 0.437 -17.602 13.951 1026 HB3 ALA 143 HB3 ALA 143 1.202 -18.096 12.439 1027 HA PRO 144 HA PRO 144 -0.737 -13.066 11.916 1028 HB2 PRO 144 HB2 PRO 144 -0.396 -12.136 14.473 1029 HB3 PRO 144 HB3 PRO 144 -1.965 -12.443 13.728 1030 HG2 PRO 144 HG2 PRO 144 -0.384 -14.170 15.589 1031 HG3 PRO 144 HG3 PRO 144 -2.125 -13.831 15.583 1032 HD2 PRO 144 HD2 PRO 144 -1.145 -16.124 14.596 1033 HD3 PRO 144 HD3 PRO 144 -2.535 -15.309 13.844 1034 H ASP 145 H ASP 145 1.442 -14.933 13.910 1035 HA ASP 145 HA ASP 145 3.567 -12.978 13.725 1036 HB2 ASP 145 HB2 ASP 145 4.893 -14.529 15.015 1037 HB3 ASP 145 HB3 ASP 145 3.290 -14.428 15.736 1038 H GLN 146 H GLN 146 2.276 -15.270 11.696 1039 HA GLN 146 HA GLN 146 4.821 -15.826 10.358 1040 HB2 GLN 146 HB2 GLN 146 2.036 -16.904 9.903 1041 HB3 GLN 146 HB3 GLN 146 3.417 -17.298 8.889 1042 HG2 GLN 146 HG2 GLN 146 4.549 -18.265 10.842 1043 HG3 GLN 146 HG3 GLN 146 3.125 -17.905 11.819 1044 HE21 GLN 146 HE21 GLN 146 4.411 -19.870 9.239 1045 HE22 GLN 146 HE22 GLN 146 3.146 -21.061 9.260 1046 H LEU 147 H LEU 147 1.811 -14.095 10.039 1047 HA LEU 147 HA LEU 147 2.426 -13.311 7.332 1048 HB2 LEU 147 HB2 LEU 147 0.328 -11.947 7.549 1049 HB3 LEU 147 HB3 LEU 147 0.141 -13.679 7.687 1050 HG LEU 147 HG LEU 147 0.349 -12.989 10.308 1051 HD11 LEU 147 HD11 LEU 147 -1.103 -10.731 8.931 1052 HD12 LEU 147 HD12 LEU 147 0.403 -10.602 9.839 1053 HD13 LEU 147 HD13 LEU 147 -1.092 -11.038 10.667 1054 HD21 LEU 147 HD21 LEU 147 -1.333 -14.443 9.330 1055 HD22 LEU 147 HD22 LEU 147 -2.148 -13.051 8.619 1056 HD23 LEU 147 HD23 LEU 147 -2.088 -13.239 10.371 1057 H ARG 148 H ARG 148 4.050 -11.983 7.125 1058 HA ARG 148 HA ARG 148 4.529 -9.948 9.142 1059 HB2 ARG 148 HB2 ARG 148 6.640 -9.557 7.792 1060 HB3 ARG 148 HB3 ARG 148 6.490 -11.136 8.552 1061 HG2 ARG 148 HG2 ARG 148 5.562 -11.907 6.282 1062 HG3 ARG 148 HG3 ARG 148 6.254 -10.408 5.657 1063 HD2 ARG 148 HD2 ARG 148 7.844 -12.197 5.369 1064 HD3 ARG 148 HD3 ARG 148 8.443 -11.075 6.591 1065 HE ARG 148 HE ARG 148 7.026 -13.110 7.889 1066 HH11 ARG 148 HH11 ARG 148 9.984 -12.709 6.049 1067 HH12 ARG 148 HH12 ARG 148 10.795 -14.036 6.831 1068 HH21 ARG 148 HH21 ARG 148 8.086 -14.856 8.909 1069 HH22 ARG 148 HH22 ARG 148 9.715 -15.259 8.441 1070 H THR 149 H THR 149 3.287 -8.255 8.922 1071 HA THR 149 HA THR 149 2.625 -7.262 6.246 1072 HB THR 149 HB THR 149 1.302 -6.349 8.788 1073 HG1 THR 149 HG1 THR 149 0.427 -8.264 9.054 1074 HG21 THR 149 HG21 THR 149 0.741 -5.236 6.663 1075 HG22 THR 149 HG22 THR 149 -0.639 -6.122 7.312 1076 HG23 THR 149 HG23 THR 149 0.289 -6.796 5.972 1077 H ARG 150 H ARG 150 3.163 -5.162 5.646 1078 HA ARG 150 HA ARG 150 4.681 -3.642 7.643 1079 HB2 ARG 150 HB2 ARG 150 6.346 -3.014 5.950 1080 HB3 ARG 150 HB3 ARG 150 6.332 -4.738 6.267 1081 HG2 ARG 150 HG2 ARG 150 4.925 -3.504 3.913 1082 HG3 ARG 150 HG3 ARG 150 6.606 -4.033 3.864 1083 HD2 ARG 150 HD2 ARG 150 5.567 -6.262 4.819 1084 HD3 ARG 150 HD3 ARG 150 4.105 -5.637 4.058 1085 HE ARG 150 HE ARG 150 5.411 -5.571 1.953 1086 HH11 ARG 150 HH11 ARG 150 6.349 -7.676 4.568 1087 HH12 ARG 150 HH12 ARG 150 7.297 -8.734 3.571 1088 HH21 ARG 150 HH21 ARG 150 6.630 -6.975 0.593 1089 HH22 ARG 150 HH22 ARG 150 7.468 -8.326 1.306 1090 H VAL 151 H VAL 151 4.409 -1.539 7.713 1091 HA VAL 151 HA VAL 151 2.638 -0.321 5.699 1092 HB VAL 151 HB VAL 151 1.594 -0.524 7.943 1093 HG11 VAL 151 HG11 VAL 151 3.609 -0.364 9.309 1094 HG12 VAL 151 HG12 VAL 151 2.396 0.815 9.805 1095 HG13 VAL 151 HG13 VAL 151 3.786 1.332 8.851 1096 HG21 VAL 151 HG21 VAL 151 0.887 1.822 8.158 1097 HG22 VAL 151 HG22 VAL 151 0.884 1.266 6.484 1098 HG23 VAL 151 HG23 VAL 151 2.191 2.296 7.068 1099 H SER 152 H SER 152 3.182 1.737 4.961 1100 HA SER 152 HA SER 152 5.737 2.821 5.943 1101 HB2 SER 152 HB2 SER 152 5.698 1.977 3.532 1102 HB3 SER 152 HB3 SER 152 4.575 3.293 3.192 1103 HG SER 152 HG SER 152 6.675 4.267 4.529 1104 H LEU 153 H LEU 153 5.545 4.736 6.911 1105 HA LEU 153 HA LEU 153 2.832 5.844 6.981 1106 HB2 LEU 153 HB2 LEU 153 4.599 5.033 8.959 1107 HB3 LEU 153 HB3 LEU 153 4.643 6.779 9.038 1108 HG LEU 153 HG LEU 153 3.016 5.763 10.607 1109 HD11 LEU 153 HD11 LEU 153 1.758 7.440 8.444 1110 HD12 LEU 153 HD12 LEU 153 2.672 8.042 9.827 1111 HD13 LEU 153 HD13 LEU 153 1.134 7.217 10.078 1112 HD21 LEU 153 HD21 LEU 153 0.938 4.810 9.718 1113 HD22 LEU 153 HD22 LEU 153 2.346 3.841 9.284 1114 HD23 LEU 153 HD23 LEU 153 1.602 4.901 8.085 1115 H MET 154 H MET 154 2.666 8.141 7.428 1116 HA MET 154 HA MET 154 3.971 9.716 5.488 1117 HB2 MET 154 HB2 MET 154 1.702 10.189 6.181 1118 HB3 MET 154 HB3 MET 154 2.214 10.416 7.846 1119 HG2 MET 154 HG2 MET 154 3.600 12.354 7.026 1120 HG3 MET 154 HG3 MET 154 2.759 12.187 5.486 1121 HE1 MET 154 HE1 MET 154 0.731 13.267 9.484 1122 HE2 MET 154 HE2 MET 154 2.469 13.033 9.278 1123 HE3 MET 154 HE3 MET 154 1.369 11.659 9.144 1124 H LEU 155 H LEU 155 5.946 10.581 5.623 1125 HA LEU 155 HA LEU 155 7.354 11.036 8.049 1126 HB2 LEU 155 HB2 LEU 155 7.739 12.253 5.305 1127 HB3 LEU 155 HB3 LEU 155 8.874 12.397 6.634 1128 HG LEU 155 HG LEU 155 8.074 9.777 5.361 1129 HD11 LEU 155 HD11 LEU 155 10.573 11.417 4.961 1130 HD12 LEU 155 HD12 LEU 155 9.301 11.154 3.769 1131 HD13 LEU 155 HD13 LEU 155 10.284 9.799 4.321 1132 HD21 LEU 155 HD21 LEU 155 8.785 9.566 7.680 1133 HD22 LEU 155 HD22 LEU 155 10.259 10.466 7.323 1134 HD23 LEU 155 HD23 LEU 155 9.991 8.884 6.589 1135 H HIS 156 H HIS 156 8.017 13.382 8.674 1136 HA HIS 156 HA HIS 156 7.290 15.279 9.707 1137 HB2 HIS 156 HB2 HIS 156 6.391 16.101 7.589 1138 HB3 HIS 156 HB3 HIS 156 4.953 15.112 7.782 1139 HD1 HIS 156 HD1 HIS 156 6.373 18.384 8.579 1140 HD2 HIS 156 HD2 HIS 156 3.159 16.072 9.837 1141 HE1 HIS 156 HE1 HIS 156 4.843 19.958 9.805 1142 HE2 HIS 156 HE2 HIS 156 2.793 18.590 10.296 1143 H GLU 157 H GLU 157 6.411 15.397 11.683 1144 HA GLU 157 HA GLU 157 5.459 13.120 12.903 1145 HB2 GLU 157 HB2 GLU 157 5.160 15.992 13.766 1146 HB3 GLU 157 HB3 GLU 157 4.798 14.613 14.797 1147 HG2 GLU 157 HG2 GLU 157 7.112 13.867 14.624 1148 HG3 GLU 157 HG3 GLU 157 7.480 15.232 13.572 1149 H SER 158 H SER 158 3.573 12.233 13.363 1150 HA SER 158 HA SER 158 1.461 12.500 11.618 1151 HB2 SER 158 HB2 SER 158 1.297 11.348 14.407 1152 HB3 SER 158 HB3 SER 158 0.325 10.900 13.004 1153 HG SER 158 HG SER 158 2.230 10.110 12.024 1154 H LEU 159 H LEU 159 -0.173 13.845 11.434 1155 HA LEU 159 HA LEU 159 -0.780 15.841 13.383 1156 HB2 LEU 159 HB2 LEU 159 -2.149 14.994 10.832 1157 HB3 LEU 159 HB3 LEU 159 -2.773 16.271 11.855 1158 HG LEU 159 HG LEU 159 -0.585 17.485 11.514 1159 HD11 LEU 159 HD11 LEU 159 0.773 16.851 9.592 1160 HD12 LEU 159 HD12 LEU 159 -0.207 15.402 9.370 1161 HD13 LEU 159 HD13 LEU 159 0.776 15.586 10.821 1162 HD21 LEU 159 HD21 LEU 159 -2.264 16.899 9.082 1163 HD22 LEU 159 HD22 LEU 159 -1.195 18.284 9.287 1164 HD23 LEU 159 HD23 LEU 159 -2.609 18.103 10.323 1165 H GLU 160 H GLU 160 -2.361 12.894 12.225 1166 HA GLU 160 HA GLU 160 -4.516 12.916 14.034 1167 HB2 GLU 160 HB2 GLU 160 -4.417 11.488 12.016 1168 HB3 GLU 160 HB3 GLU 160 -3.122 10.555 12.750 1169 HG2 GLU 160 HG2 GLU 160 -5.216 9.381 12.937 1170 HG3 GLU 160 HG3 GLU 160 -4.639 9.859 14.533 1171 H HIS 161 H HIS 161 -4.494 12.648 16.177 1172 HA HIS 161 HA HIS 161 -1.936 12.094 17.422 1173 HB2 HIS 161 HB2 HIS 161 -4.558 13.015 18.608 1174 HB3 HIS 161 HB3 HIS 161 -3.063 12.818 19.518 1175 HD1 HIS 161 HD1 HIS 161 -4.931 15.242 17.548 1176 HD2 HIS 161 HD2 HIS 161 -0.946 14.636 18.578 1177 HE1 HIS 161 HE1 HIS 161 -3.780 17.436 17.121 1178 HE2 HIS 161 HE2 HIS 161 -1.336 16.976 17.539 1179 H HIS 162 H HIS 162 -1.918 9.837 16.839 1180 HA HIS 162 HA HIS 162 -3.388 8.232 18.826 1181 HB2 HIS 162 HB2 HIS 162 -2.448 7.595 16.059 1182 HB3 HIS 162 HB3 HIS 162 -2.508 6.301 17.250 1183 HD1 HIS 162 HD1 HIS 162 -4.755 5.302 17.776 1184 HD2 HIS 162 HD2 HIS 162 -5.007 8.734 15.430 1185 HE1 HIS 162 HE1 HIS 162 -7.155 5.437 17.009 1186 HE2 HIS 162 HE2 HIS 162 -7.306 7.571 15.670 1187 H HIS 163 H HIS 163 -2.166 7.762 20.528 1188 HA HIS 163 HA HIS 163 0.587 6.920 20.065 1189 HB2 HIS 163 HB2 HIS 163 -0.232 9.240 21.763 1190 HB3 HIS 163 HB3 HIS 163 1.152 8.265 22.246 1191 HD1 HIS 163 HD1 HIS 163 3.127 8.115 20.465 1192 HD2 HIS 163 HD2 HIS 163 0.293 11.084 19.793 1193 HE1 HIS 163 HE1 HIS 163 4.192 9.713 18.844 1194 HE2 HIS 163 HE2 HIS 163 2.542 11.601 18.607 1195 H HIS 164 H HIS 164 -0.724 4.920 20.427 1196 HA HIS 164 HA HIS 164 -0.761 4.329 23.316 1197 HB2 HIS 164 HB2 HIS 164 -2.114 2.945 20.995 1198 HB3 HIS 164 HB3 HIS 164 -2.036 2.258 22.612 1199 HD1 HIS 164 HD1 HIS 164 -3.994 4.524 20.514 1200 HD2 HIS 164 HD2 HIS 164 -3.471 3.826 24.584 1201 HE1 HIS 164 HE1 HIS 164 -5.951 5.620 21.652 1202 HE2 HIS 164 HE2 HIS 164 -5.747 4.927 24.071 1203 H HIS 165 H HIS 165 0.831 3.081 24.098 1204 HA HIS 165 HA HIS 165 2.824 2.008 22.345 1205 HB2 HIS 165 HB2 HIS 165 2.402 1.769 25.327 1206 HB3 HIS 165 HB3 HIS 165 3.746 1.003 24.487 1207 HD1 HIS 165 HD1 HIS 165 2.348 4.466 25.188 1208 HD2 HIS 165 HD2 HIS 165 5.907 2.621 24.074 1209 HE1 HIS 165 HE1 HIS 165 4.102 6.265 25.266 1210 HE2 HIS 165 HE2 HIS 165 6.224 5.159 24.478 1211 H HIS 166 H HIS 166 1.177 0.215 24.927 1212 HA HIS 166 HA HIS 166 -0.386 -1.434 23.329 1213 HB2 HIS 166 HB2 HIS 166 2.024 -2.188 22.660 1214 HB3 HIS 166 HB3 HIS 166 2.016 -3.003 24.224 1215 HD1 HIS 166 HD1 HIS 166 0.718 -5.173 24.398 1216 HD2 HIS 166 HD2 HIS 166 0.056 -3.141 20.831 1217 HE1 HIS 166 HE1 HIS 166 -0.596 -6.754 22.948 1218 HE2 HIS 166 HE2 HIS 166 -0.866 -5.555 20.738 Start of MODEL 3 1 H1 MET 1 H1 MET 1 11.292 5.255 33.457 2 H2 MET 1 H2 MET 1 12.229 6.104 32.324 3 H3 MET 1 H3 MET 1 12.988 5.200 33.536 4 HA MET 1 HA MET 1 13.087 4.069 31.428 5 HB2 MET 1 HB2 MET 1 12.110 1.914 32.149 6 HB3 MET 1 HB3 MET 1 13.034 2.696 33.422 7 HG2 MET 1 HG2 MET 1 10.948 3.469 34.451 8 HG3 MET 1 HG3 MET 1 10.031 2.660 33.181 9 HE1 MET 1 HE1 MET 1 9.978 0.000 32.865 10 HE2 MET 1 HE2 MET 1 10.903 -1.115 33.871 11 HE3 MET 1 HE3 MET 1 11.738 -0.010 32.778 12 H ASP 2 H ASP 2 12.267 4.128 29.487 13 HA ASP 2 HA ASP 2 9.339 4.036 29.152 14 HB2 ASP 2 HB2 ASP 2 11.347 5.802 27.737 15 HB3 ASP 2 HB3 ASP 2 9.753 5.477 27.071 16 H PHE 3 H PHE 3 8.950 3.561 26.620 17 HA PHE 3 HA PHE 3 10.813 1.398 25.921 18 HB2 PHE 3 HB2 PHE 3 8.965 0.453 24.525 19 HB3 PHE 3 HB3 PHE 3 8.641 0.456 26.250 20 HD1 PHE 3 HD2 PHE 3 7.095 2.214 27.182 21 HD2 PHE 3 HD1 PHE 3 7.508 1.485 23.011 22 HE1 PHE 3 HE2 PHE 3 4.938 3.324 26.778 23 HE2 PHE 3 HE1 PHE 3 5.351 2.591 22.601 24 HZ PHE 3 HZ PHE 3 4.064 3.513 24.485 25 H GLU 4 H GLU 4 12.256 2.054 24.564 26 HA GLU 4 HA GLU 4 11.515 4.049 22.531 27 HB2 GLU 4 HB2 GLU 4 13.871 4.728 22.542 28 HB3 GLU 4 HB3 GLU 4 13.168 4.844 24.148 29 HG2 GLU 4 HG2 GLU 4 14.851 2.527 23.224 30 HG3 GLU 4 HG3 GLU 4 15.492 3.937 24.062 31 H CYS 5 H CYS 5 11.805 0.876 22.719 32 HA CYS 5 HA CYS 5 12.775 0.713 19.963 33 HB2 CYS 5 HB2 CYS 5 13.802 -1.520 20.530 34 HB3 CYS 5 HB3 CYS 5 14.628 -0.119 21.202 35 HG CYS 5 HG CYS 5 13.633 -2.768 22.746 36 H GLN 6 H GLN 6 10.443 0.868 19.661 37 HA GLN 6 HA GLN 6 9.027 -1.633 20.186 38 HB2 GLN 6 HB2 GLN 6 6.996 -0.365 19.416 39 HB3 GLN 6 HB3 GLN 6 7.736 0.250 20.883 40 HG2 GLN 6 HG2 GLN 6 8.382 1.446 18.216 41 HG3 GLN 6 HG3 GLN 6 6.929 1.912 19.097 42 HE21 GLN 6 HE21 GLN 6 7.108 3.112 20.965 43 HE22 GLN 6 HE22 GLN 6 8.594 3.861 21.454 44 H PHE 7 H PHE 7 9.365 -3.086 18.701 45 HA PHE 7 HA PHE 7 9.372 -4.186 16.738 46 HB2 PHE 7 HB2 PHE 7 7.858 -1.741 15.814 47 HB3 PHE 7 HB3 PHE 7 8.121 -3.167 14.821 48 HD1 PHE 7 HD1 PHE 7 6.520 -1.949 17.917 49 HD2 PHE 7 HD2 PHE 7 6.794 -5.095 15.065 50 HE1 PHE 7 HE1 PHE 7 4.521 -3.004 18.892 51 HE2 PHE 7 HE2 PHE 7 4.795 -6.153 16.029 52 HZ PHE 7 HZ PHE 7 3.655 -5.106 17.948 53 H VAL 8 H VAL 8 9.791 -3.478 14.135 54 HA VAL 8 HA VAL 8 12.445 -2.224 14.290 55 HB VAL 8 HB VAL 8 12.650 -4.562 13.741 56 HG11 VAL 8 HG11 VAL 8 11.641 -5.540 11.732 57 HG12 VAL 8 HG12 VAL 8 10.775 -4.032 11.442 58 HG13 VAL 8 HG13 VAL 8 10.421 -4.988 12.879 59 HG21 VAL 8 HG21 VAL 8 14.201 -3.055 12.633 60 HG22 VAL 8 HG22 VAL 8 13.074 -2.854 11.292 61 HG23 VAL 8 HG23 VAL 8 13.817 -4.424 11.589 62 H CYS 9 H CYS 9 12.700 -0.372 13.271 63 HA CYS 9 HA CYS 9 10.857 0.288 11.071 64 HB2 CYS 9 HB2 CYS 9 11.202 2.682 11.746 65 HB3 CYS 9 HB3 CYS 9 10.356 1.708 12.944 66 HG CYS 9 HG CYS 9 12.029 1.993 14.888 67 H GLU 10 H GLU 10 11.727 1.728 9.428 68 HA GLU 10 HA GLU 10 14.553 2.157 9.219 69 HB2 GLU 10 HB2 GLU 10 14.414 -0.262 8.691 70 HB3 GLU 10 HB3 GLU 10 13.273 0.093 7.403 71 HG2 GLU 10 HG2 GLU 10 15.010 1.408 6.262 72 HG3 GLU 10 HG3 GLU 10 16.148 0.973 7.534 73 H LEU 11 H LEU 11 15.073 3.514 7.437 74 HA LEU 11 HA LEU 11 12.832 4.917 6.254 75 HB2 LEU 11 HB2 LEU 11 14.981 6.033 6.991 76 HB3 LEU 11 HB3 LEU 11 15.780 5.234 5.655 77 HG LEU 11 HG LEU 11 13.463 7.126 5.250 78 HD11 LEU 11 HD11 LEU 11 15.224 8.320 6.403 79 HD12 LEU 11 HD12 LEU 11 15.144 8.823 4.713 80 HD13 LEU 11 HD13 LEU 11 16.414 7.721 5.246 81 HD21 LEU 11 HD21 LEU 11 14.357 7.316 2.992 82 HD22 LEU 11 HD22 LEU 11 13.980 5.636 3.370 83 HD23 LEU 11 HD23 LEU 11 15.654 6.191 3.395 84 H LYS 12 H LYS 12 11.965 4.436 4.304 85 HA LYS 12 HA LYS 12 13.529 2.620 2.619 86 HB2 LYS 12 HB2 LYS 12 11.623 1.541 3.941 87 HB3 LYS 12 HB3 LYS 12 10.538 2.439 2.891 88 HG2 LYS 12 HG2 LYS 12 10.638 0.398 1.844 89 HG3 LYS 12 HG3 LYS 12 11.869 1.312 0.973 90 HD2 LYS 12 HD2 LYS 12 12.451 -0.520 3.298 91 HD3 LYS 12 HD3 LYS 12 12.553 -1.009 1.608 92 HE2 LYS 12 HE2 LYS 12 14.282 0.635 1.203 93 HE3 LYS 12 HE3 LYS 12 14.129 1.238 2.853 94 HZ1 LYS 12 HZ1 LYS 12 16.024 -0.261 2.562 95 HZ2 LYS 12 HZ2 LYS 12 14.969 -1.518 2.127 96 HZ3 LYS 12 HZ3 LYS 12 14.909 -0.860 3.692 97 H GLU 13 H GLU 13 13.810 3.262 0.638 98 HA GLU 13 HA GLU 13 12.091 5.326 -0.507 99 HB2 GLU 13 HB2 GLU 13 14.622 4.066 -1.593 100 HB3 GLU 13 HB3 GLU 13 13.789 5.461 -2.267 101 HG2 GLU 13 HG2 GLU 13 14.271 6.754 -0.283 102 HG3 GLU 13 HG3 GLU 13 15.015 5.350 0.480 103 H LEU 14 H LEU 14 10.618 4.905 -2.044 104 HA LEU 14 HA LEU 14 10.123 2.072 -2.590 105 HB2 LEU 14 HB2 LEU 14 8.345 4.500 -2.787 106 HB3 LEU 14 HB3 LEU 14 7.858 2.910 -3.331 107 HG LEU 14 HG LEU 14 6.872 3.205 -1.213 108 HD11 LEU 14 HD11 LEU 14 7.818 1.006 -1.515 109 HD12 LEU 14 HD12 LEU 14 7.936 1.489 0.179 110 HD13 LEU 14 HD13 LEU 14 9.362 1.550 -0.859 111 HD21 LEU 14 HD21 LEU 14 8.180 5.104 -0.439 112 HD22 LEU 14 HD22 LEU 14 9.569 4.054 -0.168 113 HD23 LEU 14 HD23 LEU 14 8.108 3.849 0.799 114 H ALA 15 H ALA 15 10.037 1.210 -4.589 115 HA ALA 15 HA ALA 15 10.565 3.007 -6.863 116 HB1 ALA 15 HB1 ALA 15 11.503 1.057 -8.007 117 HB2 ALA 15 HB2 ALA 15 11.165 0.060 -6.592 118 HB3 ALA 15 HB3 ALA 15 12.339 1.373 -6.487 119 HA PRO 16 HA PRO 16 6.551 2.192 -8.379 120 HB2 PRO 16 HB2 PRO 16 6.919 2.533 -11.048 121 HB3 PRO 16 HB3 PRO 16 6.937 3.871 -9.892 122 HG2 PRO 16 HG2 PRO 16 9.235 2.398 -11.123 123 HG3 PRO 16 HG3 PRO 16 9.026 4.142 -10.881 124 HD2 PRO 16 HD2 PRO 16 10.534 2.626 -9.228 125 HD3 PRO 16 HD3 PRO 16 9.618 4.032 -8.652 126 H VAL 17 H VAL 17 5.280 0.553 -9.028 127 HA VAL 17 HA VAL 17 6.333 -1.455 -10.883 128 HB VAL 17 HB VAL 17 6.622 -2.457 -8.676 129 HG11 VAL 17 HG11 VAL 17 4.717 -2.867 -7.182 130 HG12 VAL 17 HG12 VAL 17 3.695 -1.902 -8.246 131 HG13 VAL 17 HG13 VAL 17 5.045 -1.148 -7.402 132 HG21 VAL 17 HG21 VAL 17 4.251 -3.638 -10.113 133 HG22 VAL 17 HG22 VAL 17 5.232 -4.471 -8.906 134 HG23 VAL 17 HG23 VAL 17 5.952 -3.973 -10.438 135 HA PRO 18 HA PRO 18 2.459 -0.678 -12.948 136 HB2 PRO 18 HB2 PRO 18 2.044 -3.224 -13.976 137 HB3 PRO 18 HB3 PRO 18 3.026 -1.966 -14.730 138 HG2 PRO 18 HG2 PRO 18 3.879 -4.277 -13.040 139 HG3 PRO 18 HG3 PRO 18 4.649 -3.596 -14.485 140 HD2 PRO 18 HD2 PRO 18 5.604 -3.089 -12.041 141 HD3 PRO 18 HD3 PRO 18 5.601 -1.837 -13.301 142 H ALA 19 H ALA 19 0.470 -0.575 -12.151 143 HA ALA 19 HA ALA 19 -0.703 -2.828 -10.744 144 HB1 ALA 19 HB1 ALA 19 -1.153 -1.555 -8.708 145 HB2 ALA 19 HB2 ALA 19 -0.237 -0.192 -9.351 146 HB3 ALA 19 HB3 ALA 19 0.579 -1.713 -8.991 147 H LEU 20 H LEU 20 -2.946 -2.654 -10.450 148 HA LEU 20 HA LEU 20 -4.239 -0.403 -11.851 149 HB2 LEU 20 HB2 LEU 20 -5.062 -3.250 -11.417 150 HB3 LEU 20 HB3 LEU 20 -6.295 -2.022 -11.618 151 HG LEU 20 HG LEU 20 -5.151 -1.425 -13.809 152 HD11 LEU 20 HD11 LEU 20 -3.833 -4.092 -13.346 153 HD12 LEU 20 HD12 LEU 20 -3.020 -2.527 -13.388 154 HD13 LEU 20 HD13 LEU 20 -3.794 -3.158 -14.842 155 HD21 LEU 20 HD21 LEU 20 -6.372 -4.165 -13.520 156 HD22 LEU 20 HD22 LEU 20 -6.270 -3.222 -15.007 157 HD23 LEU 20 HD23 LEU 20 -7.259 -2.646 -13.665 158 H LEU 21 H LEU 21 -5.720 0.854 -10.768 159 HA LEU 21 HA LEU 21 -6.428 0.117 -8.053 160 HB2 LEU 21 HB2 LEU 21 -5.571 2.142 -7.019 161 HB3 LEU 21 HB3 LEU 21 -4.285 1.184 -7.704 162 HG LEU 21 HG LEU 21 -3.745 3.468 -8.037 163 HD11 LEU 21 HD11 LEU 21 -3.586 3.701 -10.452 164 HD12 LEU 21 HD12 LEU 21 -4.741 2.384 -10.658 165 HD13 LEU 21 HD13 LEU 21 -3.170 2.072 -9.917 166 HD21 LEU 21 HD21 LEU 21 -5.894 4.497 -7.739 167 HD22 LEU 21 HD22 LEU 21 -6.462 3.840 -9.275 168 HD23 LEU 21 HD23 LEU 21 -5.177 5.049 -9.253 169 H ILE 22 H ILE 22 -8.073 1.390 -7.111 170 HA ILE 22 HA ILE 22 -9.603 3.006 -9.027 171 HB ILE 22 HB ILE 22 -10.527 1.830 -6.392 172 HG12 ILE 22 HG12 ILE 22 -11.136 0.958 -9.227 173 HG13 ILE 22 HG13 ILE 22 -10.109 0.095 -8.087 174 HG21 ILE 22 HG21 ILE 22 -12.062 3.239 -8.572 175 HG22 ILE 22 HG22 ILE 22 -11.700 3.879 -6.970 176 HG23 ILE 22 HG23 ILE 22 -12.769 2.487 -7.142 177 HD11 ILE 22 HD11 ILE 22 -13.059 0.601 -7.777 178 HD12 ILE 22 HD12 ILE 22 -12.034 -0.248 -6.620 179 HD13 ILE 22 HD13 ILE 22 -12.301 -0.926 -8.226 180 H ARG 23 H ARG 23 -9.266 5.112 -8.833 181 HA ARG 23 HA ARG 23 -8.095 6.210 -6.435 182 HB2 ARG 23 HB2 ARG 23 -8.207 8.370 -7.767 183 HB3 ARG 23 HB3 ARG 23 -7.203 7.094 -8.434 184 HG2 ARG 23 HG2 ARG 23 -8.959 6.516 -10.013 185 HG3 ARG 23 HG3 ARG 23 -10.001 7.764 -9.326 186 HD2 ARG 23 HD2 ARG 23 -8.464 9.484 -10.010 187 HD3 ARG 23 HD3 ARG 23 -7.304 8.280 -10.567 188 HE ARG 23 HE ARG 23 -9.725 7.874 -11.921 189 HH11 ARG 23 HH11 ARG 23 -7.224 10.325 -11.677 190 HH12 ARG 23 HH12 ARG 23 -7.347 10.789 -13.352 191 HH21 ARG 23 HH21 ARG 23 -9.905 8.522 -14.119 192 HH22 ARG 23 HH22 ARG 23 -8.867 9.790 -14.718 193 H THR 24 H THR 24 -9.346 6.634 -4.757 194 HA THR 24 HA THR 24 -12.015 7.790 -5.260 195 HB THR 24 HB THR 24 -11.324 5.751 -3.130 196 HG1 THR 24 HG1 THR 24 -11.574 5.172 -5.542 197 HG21 THR 24 HG21 THR 24 -13.989 6.908 -3.949 198 HG22 THR 24 HG22 THR 24 -13.109 7.308 -2.475 199 HG23 THR 24 HG23 THR 24 -13.725 5.674 -2.718 200 H GLN 25 H GLN 25 -12.675 9.389 -3.805 201 HA GLN 25 HA GLN 25 -10.721 10.157 -1.746 202 HB2 GLN 25 HB2 GLN 25 -13.077 11.799 -2.670 203 HB3 GLN 25 HB3 GLN 25 -11.675 12.338 -1.758 204 HG2 GLN 25 HG2 GLN 25 -10.271 11.852 -3.756 205 HG3 GLN 25 HG3 GLN 25 -11.753 11.507 -4.648 206 HE21 GLN 25 HE21 GLN 25 -9.762 13.954 -3.243 207 HE22 GLN 25 HE22 GLN 25 -10.603 15.311 -3.903 208 H THR 26 H THR 26 -11.241 9.741 0.345 209 HA THR 26 HA THR 26 -14.044 8.978 0.866 210 HB THR 26 HB THR 26 -12.540 7.004 0.819 211 HG1 THR 26 HG1 THR 26 -13.111 7.060 3.502 212 HG21 THR 26 HG21 THR 26 -11.225 8.330 3.191 213 HG22 THR 26 HG22 THR 26 -10.492 8.081 1.606 214 HG23 THR 26 HG23 THR 26 -10.905 6.694 2.615 215 H ALA 27 H ALA 27 -14.768 9.207 3.058 216 HA ALA 27 HA ALA 27 -13.560 11.492 4.410 217 HB1 ALA 27 HB1 ALA 27 -15.976 11.549 3.998 218 HB2 ALA 27 HB2 ALA 27 -15.613 11.565 5.724 219 HB3 ALA 27 HB3 ALA 27 -16.170 10.080 4.952 220 H MET 28 H MET 28 -13.635 11.343 6.874 221 HA MET 28 HA MET 28 -11.724 9.475 7.654 222 HB2 MET 28 HB2 MET 28 -12.093 11.654 8.757 223 HB3 MET 28 HB3 MET 28 -13.600 11.048 9.428 224 HG2 MET 28 HG2 MET 28 -12.411 9.413 10.741 225 HG3 MET 28 HG3 MET 28 -10.881 9.889 10.001 226 HE1 MET 28 HE1 MET 28 -11.371 9.694 13.137 227 HE2 MET 28 HE2 MET 28 -10.589 11.166 13.713 228 HE3 MET 28 HE3 MET 28 -9.823 10.194 12.456 229 H SER 29 H SER 29 -15.237 9.438 8.182 230 HA SER 29 HA SER 29 -14.957 6.958 9.689 231 HB2 SER 29 HB2 SER 29 -16.378 8.852 10.538 232 HB3 SER 29 HB3 SER 29 -17.476 8.556 9.191 233 HG SER 29 HG SER 29 -16.744 6.431 10.885 234 H GLU 30 H GLU 30 -15.354 7.792 6.505 235 HA GLU 30 HA GLU 30 -17.191 5.596 5.901 236 HB2 GLU 30 HB2 GLU 30 -15.999 7.721 4.112 237 HB3 GLU 30 HB3 GLU 30 -17.114 6.473 3.574 238 HG2 GLU 30 HG2 GLU 30 -18.793 7.361 5.164 239 HG3 GLU 30 HG3 GLU 30 -17.679 8.673 5.545 240 H LEU 31 H LEU 31 -14.036 5.868 6.485 241 HA LEU 31 HA LEU 31 -12.663 4.841 4.299 242 HB2 LEU 31 HB2 LEU 31 -11.647 5.856 6.313 243 HB3 LEU 31 HB3 LEU 31 -12.061 4.418 7.224 244 HG LEU 31 HG LEU 31 -10.590 3.094 5.711 245 HD11 LEU 31 HD11 LEU 31 -10.648 4.570 3.770 246 HD12 LEU 31 HD12 LEU 31 -8.991 4.281 4.298 247 HD13 LEU 31 HD13 LEU 31 -9.782 5.810 4.678 248 HD21 LEU 31 HD21 LEU 31 -9.784 3.851 7.870 249 HD22 LEU 31 HD22 LEU 31 -9.297 5.394 7.167 250 HD23 LEU 31 HD23 LEU 31 -8.488 3.906 6.676 251 H GLY 32 H GLY 32 -14.256 3.117 6.958 252 HA2 GLY 32 HA2 GLY 32 -13.225 0.562 6.390 253 HA3 GLY 32 HA3 GLY 32 -14.684 0.892 7.310 254 H SER 33 H SER 33 -16.427 1.901 5.597 255 HA SER 33 HA SER 33 -17.217 -0.363 4.087 256 HB2 SER 33 HB2 SER 33 -18.329 2.448 4.088 257 HB3 SER 33 HB3 SER 33 -19.128 1.031 3.409 258 HG SER 33 HG SER 33 -19.423 1.854 5.813 259 H LEU 34 H LEU 34 -15.544 2.591 3.276 260 HA LEU 34 HA LEU 34 -15.861 2.545 0.492 261 HB2 LEU 34 HB2 LEU 34 -14.832 4.354 2.019 262 HB3 LEU 34 HB3 LEU 34 -13.345 3.441 1.879 263 HG LEU 34 HG LEU 34 -13.587 5.435 0.340 264 HD11 LEU 34 HD11 LEU 34 -12.606 4.299 -1.594 265 HD12 LEU 34 HD12 LEU 34 -13.107 2.743 -0.929 266 HD13 LEU 34 HD13 LEU 34 -11.919 3.726 -0.073 267 HD21 LEU 34 HD21 LEU 34 -14.910 5.115 -1.695 268 HD22 LEU 34 HD22 LEU 34 -15.924 5.142 -0.253 269 HD23 LEU 34 HD23 LEU 34 -15.551 3.608 -1.039 270 H PHE 35 H PHE 35 -13.515 0.944 2.610 271 HA PHE 35 HA PHE 35 -11.851 -0.134 0.643 272 HB2 PHE 35 HB2 PHE 35 -12.504 -0.960 3.445 273 HB3 PHE 35 HB3 PHE 35 -11.523 -2.013 2.431 274 HD1 PHE 35 HD1 PHE 35 -9.679 -0.484 1.051 275 HD2 PHE 35 HD2 PHE 35 -11.280 0.284 4.917 276 HE1 PHE 35 HE1 PHE 35 -7.665 0.811 1.622 277 HE2 PHE 35 HE2 PHE 35 -9.274 1.588 5.492 278 HZ PHE 35 HZ PHE 35 -7.463 1.850 3.845 279 H GLU 36 H GLU 36 -14.939 -1.290 1.878 280 HA GLU 36 HA GLU 36 -14.822 -3.867 0.705 281 HB2 GLU 36 HB2 GLU 36 -16.453 -2.945 2.501 282 HB3 GLU 36 HB3 GLU 36 -17.378 -2.333 1.141 283 HG2 GLU 36 HG2 GLU 36 -16.660 -5.233 1.525 284 HG3 GLU 36 HG3 GLU 36 -18.170 -4.505 2.062 285 H ALA 37 H ALA 37 -16.348 -0.835 -0.337 286 HA ALA 37 HA ALA 37 -17.356 -1.786 -2.775 287 HB1 ALA 37 HB1 ALA 37 -17.612 0.558 -3.378 288 HB2 ALA 37 HB2 ALA 37 -16.555 1.027 -2.045 289 HB3 ALA 37 HB3 ALA 37 -18.115 0.274 -1.713 290 H GLY 38 H GLY 38 -14.246 -0.304 -1.969 291 HA2 GLY 38 HA2 GLY 38 -13.344 -0.083 -4.663 292 HA3 GLY 38 HA3 GLY 38 -12.337 -0.002 -3.224 293 H TYR 39 H TYR 39 -12.766 -2.504 -2.133 294 HA TYR 39 HA TYR 39 -11.018 -4.092 -3.739 295 HB2 TYR 39 HB2 TYR 39 -10.940 -4.113 -1.288 296 HB3 TYR 39 HB3 TYR 39 -12.570 -4.764 -1.225 297 HD1 TYR 39 HD2 TYR 39 -9.124 -5.550 -2.392 298 HD2 TYR 39 HD1 TYR 39 -12.917 -7.076 -1.210 299 HE1 TYR 39 HE2 TYR 39 -8.199 -7.829 -2.380 300 HE2 TYR 39 HE1 TYR 39 -12.000 -9.355 -1.190 301 HH TYR 39 HH TYR 39 -8.654 -9.992 -1.360 302 H HIS 40 H HIS 40 -14.389 -3.742 -3.507 303 HA HIS 40 HA HIS 40 -15.320 -6.314 -4.112 304 HB2 HIS 40 HB2 HIS 40 -16.577 -4.193 -3.301 305 HB3 HIS 40 HB3 HIS 40 -16.700 -3.795 -5.008 306 HD1 HIS 40 HD1 HIS 40 -18.357 -5.621 -2.368 307 HD2 HIS 40 HD2 HIS 40 -18.147 -5.887 -6.517 308 HE1 HIS 40 HE1 HIS 40 -20.347 -7.005 -3.066 309 HE2 HIS 40 HE2 HIS 40 -20.181 -7.183 -5.580 310 H ASP 41 H ASP 41 -14.244 -3.672 -6.187 311 HA ASP 41 HA ASP 41 -15.146 -5.081 -8.566 312 HB2 ASP 41 HB2 ASP 41 -13.895 -2.371 -8.167 313 HB3 ASP 41 HB3 ASP 41 -14.211 -3.054 -9.759 314 H ILE 42 H ILE 42 -12.510 -5.314 -6.666 315 HA ILE 42 HA ILE 42 -10.571 -5.648 -8.812 316 HB ILE 42 HB ILE 42 -10.287 -6.139 -5.840 317 HG12 ILE 42 HG12 ILE 42 -10.691 -3.782 -6.343 318 HG13 ILE 42 HG13 ILE 42 -9.023 -4.021 -5.830 319 HG21 ILE 42 HG21 ILE 42 -7.879 -6.183 -6.256 320 HG22 ILE 42 HG22 ILE 42 -8.172 -6.008 -7.985 321 HG23 ILE 42 HG23 ILE 42 -8.705 -7.464 -7.144 322 HD11 ILE 42 HD11 ILE 42 -9.172 -2.463 -7.689 323 HD12 ILE 42 HD12 ILE 42 -9.962 -3.695 -8.672 324 HD13 ILE 42 HD13 ILE 42 -8.293 -3.918 -8.152 325 H LEU 43 H LEU 43 -12.725 -7.477 -6.845 326 HA LEU 43 HA LEU 43 -11.450 -9.988 -6.937 327 HB2 LEU 43 HB2 LEU 43 -13.358 -9.125 -5.422 328 HB3 LEU 43 HB3 LEU 43 -14.423 -9.601 -6.727 329 HG LEU 43 HG LEU 43 -14.235 -11.266 -4.872 330 HD11 LEU 43 HD11 LEU 43 -13.311 -12.213 -7.579 331 HD12 LEU 43 HD12 LEU 43 -14.983 -11.985 -7.063 332 HD13 LEU 43 HD13 LEU 43 -13.988 -13.229 -6.307 333 HD21 LEU 43 HD21 LEU 43 -11.864 -10.930 -4.374 334 HD22 LEU 43 HD22 LEU 43 -11.438 -11.637 -5.933 335 HD23 LEU 43 HD23 LEU 43 -12.226 -12.625 -4.703 336 H GLN 44 H GLN 44 -14.237 -8.750 -8.830 337 HA GLN 44 HA GLN 44 -14.315 -11.152 -10.393 338 HB2 GLN 44 HB2 GLN 44 -16.262 -10.344 -11.368 339 HB3 GLN 44 HB3 GLN 44 -16.295 -9.601 -9.779 340 HG2 GLN 44 HG2 GLN 44 -15.166 -8.152 -12.141 341 HG3 GLN 44 HG3 GLN 44 -16.898 -8.180 -11.828 342 HE21 GLN 44 HE21 GLN 44 -16.947 -5.969 -11.522 343 HE22 GLN 44 HE22 GLN 44 -16.322 -5.214 -10.098 344 H LEU 45 H LEU 45 -12.421 -8.392 -10.557 345 HA LEU 45 HA LEU 45 -12.120 -8.323 -13.416 346 HB2 LEU 45 HB2 LEU 45 -11.712 -6.339 -11.991 347 HB3 LEU 45 HB3 LEU 45 -10.342 -7.160 -11.266 348 HG LEU 45 HG LEU 45 -9.205 -7.189 -13.450 349 HD11 LEU 45 HD11 LEU 45 -11.573 -5.588 -14.407 350 HD12 LEU 45 HD12 LEU 45 -11.176 -7.236 -14.893 351 HD13 LEU 45 HD13 LEU 45 -10.100 -5.906 -15.320 352 HD21 LEU 45 HD21 LEU 45 -8.759 -4.784 -13.594 353 HD22 LEU 45 HD22 LEU 45 -8.798 -5.344 -11.922 354 HD23 LEU 45 HD23 LEU 45 -10.175 -4.467 -12.591 355 H LEU 46 H LEU 46 -9.899 -9.231 -10.767 356 HA LEU 46 HA LEU 46 -8.055 -10.526 -12.488 357 HB2 LEU 46 HB2 LEU 46 -8.458 -10.448 -9.527 358 HB3 LEU 46 HB3 LEU 46 -7.359 -11.630 -10.208 359 HG LEU 46 HG LEU 46 -6.115 -9.703 -9.470 360 HD11 LEU 46 HD11 LEU 46 -4.973 -9.100 -11.543 361 HD12 LEU 46 HD12 LEU 46 -6.303 -9.789 -12.474 362 HD13 LEU 46 HD13 LEU 46 -5.306 -10.830 -11.458 363 HD21 LEU 46 HD21 LEU 46 -7.856 -8.084 -11.321 364 HD22 LEU 46 HD22 LEU 46 -6.452 -7.485 -10.440 365 HD23 LEU 46 HD23 LEU 46 -7.879 -8.030 -9.559 366 H ALA 47 H ALA 47 -10.646 -11.765 -10.389 367 HA ALA 47 HA ALA 47 -10.137 -14.500 -11.033 368 HB1 ALA 47 HB1 ALA 47 -11.251 -13.835 -8.956 369 HB2 ALA 47 HB2 ALA 47 -12.237 -14.962 -9.889 370 HB3 ALA 47 HB3 ALA 47 -12.626 -13.241 -9.887 371 H GLY 48 H GLY 48 -12.011 -11.952 -12.465 372 HA2 GLY 48 HA2 GLY 48 -13.719 -13.582 -14.051 373 HA3 GLY 48 HA3 GLY 48 -13.378 -11.877 -14.312 374 H GLN 49 H GLN 49 -10.687 -11.868 -14.771 375 HA GLN 49 HA GLN 49 -10.542 -12.934 -17.426 376 HB2 GLN 49 HB2 GLN 49 -8.421 -11.601 -15.731 377 HB3 GLN 49 HB3 GLN 49 -8.247 -11.995 -17.436 378 HG2 GLN 49 HG2 GLN 49 -10.249 -10.538 -17.865 379 HG3 GLN 49 HG3 GLN 49 -10.127 -10.013 -16.186 380 HE21 GLN 49 HE21 GLN 49 -9.862 -8.507 -18.666 381 HE22 GLN 49 HE22 GLN 49 -8.303 -7.762 -18.605 382 H GLY 50 H GLY 50 -9.903 -14.155 -14.363 383 HA2 GLY 50 HA2 GLY 50 -9.231 -16.265 -13.730 384 HA3 GLY 50 HA3 GLY 50 -9.010 -16.652 -15.431 385 H LYS 51 H LYS 51 -7.501 -14.047 -13.596 386 HA LYS 51 HA LYS 51 -4.920 -15.414 -13.925 387 HB2 LYS 51 HB2 LYS 51 -5.417 -12.468 -14.398 388 HB3 LYS 51 HB3 LYS 51 -3.857 -13.276 -14.481 389 HG2 LYS 51 HG2 LYS 51 -4.881 -14.724 -16.303 390 HG3 LYS 51 HG3 LYS 51 -6.199 -13.553 -16.333 391 HD2 LYS 51 HD2 LYS 51 -4.571 -13.006 -18.034 392 HD3 LYS 51 HD3 LYS 51 -4.562 -11.763 -16.784 393 HE2 LYS 51 HE2 LYS 51 -2.570 -12.673 -15.814 394 HE3 LYS 51 HE3 LYS 51 -2.632 -14.075 -16.880 395 HZ1 LYS 51 HZ1 LYS 51 -1.002 -12.448 -17.609 396 HZ2 LYS 51 HZ2 LYS 51 -2.210 -11.269 -17.758 397 HZ3 LYS 51 HZ3 LYS 51 -2.232 -12.634 -18.764 398 H SER 52 H SER 52 -3.241 -13.807 -12.672 399 HA SER 52 HA SER 52 -4.400 -13.298 -10.024 400 HB2 SER 52 HB2 SER 52 -1.929 -14.948 -10.599 401 HB3 SER 52 HB3 SER 52 -2.436 -14.428 -8.992 402 HG SER 52 HG SER 52 -3.817 -16.156 -10.781 403 HA PRO 53 HA PRO 53 -1.778 -9.673 -9.972 404 HB2 PRO 53 HB2 PRO 53 -1.413 -10.195 -7.086 405 HB3 PRO 53 HB3 PRO 53 -2.115 -8.788 -7.893 406 HG2 PRO 53 HG2 PRO 53 -3.642 -10.529 -6.550 407 HG3 PRO 53 HG3 PRO 53 -4.213 -9.750 -8.039 408 HD2 PRO 53 HD2 PRO 53 -3.137 -12.517 -7.637 409 HD3 PRO 53 HD3 PRO 53 -4.506 -11.974 -8.631 410 H SER 54 H SER 54 0.435 -9.084 -9.572 411 HA SER 54 HA SER 54 2.189 -11.442 -9.418 412 HB2 SER 54 HB2 SER 54 2.133 -10.047 -11.552 413 HB3 SER 54 HB3 SER 54 2.886 -8.755 -10.620 414 HG SER 54 HG SER 54 4.696 -9.701 -11.061 415 H GLY 55 H GLY 55 1.057 -9.742 -7.220 416 HA2 GLY 55 HA2 GLY 55 3.300 -9.747 -5.535 417 HA3 GLY 55 HA3 GLY 55 3.022 -8.101 -6.089 418 HA PRO 56 HA PRO 56 0.235 -9.009 -2.445 419 HB2 PRO 56 HB2 PRO 56 1.358 -7.383 -0.630 420 HB3 PRO 56 HB3 PRO 56 1.999 -9.002 -0.935 421 HG2 PRO 56 HG2 PRO 56 2.977 -6.358 -1.940 422 HG3 PRO 56 HG3 PRO 56 3.909 -7.727 -1.301 423 HD2 PRO 56 HD2 PRO 56 3.581 -7.215 -3.972 424 HD3 PRO 56 HD3 PRO 56 3.877 -8.834 -3.308 425 HA PRO 57 HA PRO 57 -2.242 -5.391 -3.180 426 HB2 PRO 57 HB2 PRO 57 -3.429 -5.061 -0.727 427 HB3 PRO 57 HB3 PRO 57 -3.951 -6.242 -1.932 428 HG2 PRO 57 HG2 PRO 57 -2.239 -6.624 0.485 429 HG3 PRO 57 HG3 PRO 57 -3.511 -7.675 -0.168 430 HD2 PRO 57 HD2 PRO 57 -0.892 -8.198 -0.534 431 HD3 PRO 57 HD3 PRO 57 -2.112 -8.588 -1.763 432 H PHE 58 H PHE 58 -2.138 -3.191 -2.995 433 HA PHE 58 HA PHE 58 -0.214 -2.117 -1.028 434 HB2 PHE 58 HB2 PHE 58 -0.931 -1.198 -3.820 435 HB3 PHE 58 HB3 PHE 58 -0.057 -0.179 -2.690 436 HD1 PHE 58 HD1 PHE 58 0.245 -3.750 -3.769 437 HD2 PHE 58 HD2 PHE 58 2.137 0.022 -3.254 438 HE1 PHE 58 HE1 PHE 58 2.363 -4.706 -4.566 439 HE2 PHE 58 HE2 PHE 58 4.259 -0.932 -4.047 440 HZ PHE 58 HZ PHE 58 4.377 -3.301 -4.700 441 H ALA 59 H ALA 59 -0.681 0.214 -0.465 442 HA ALA 59 HA ALA 59 -3.312 1.243 -1.001 443 HB1 ALA 59 HB1 ALA 59 -2.575 0.568 1.846 444 HB2 ALA 59 HB2 ALA 59 -3.791 -0.263 0.875 445 HB3 ALA 59 HB3 ALA 59 -4.024 1.427 1.322 446 H ARG 60 H ARG 60 -2.781 3.281 -1.559 447 HA ARG 60 HA ARG 60 -0.854 4.676 0.175 448 HB2 ARG 60 HB2 ARG 60 -0.164 6.036 -1.624 449 HB3 ARG 60 HB3 ARG 60 -0.214 4.402 -2.266 450 HG2 ARG 60 HG2 ARG 60 -1.865 4.882 -3.722 451 HG3 ARG 60 HG3 ARG 60 -2.669 5.994 -2.612 452 HD2 ARG 60 HD2 ARG 60 -0.190 6.545 -4.241 453 HD3 ARG 60 HD3 ARG 60 -1.798 7.222 -4.507 454 HE ARG 60 HE ARG 60 -1.357 8.054 -2.044 455 HH11 ARG 60 HH11 ARG 60 0.755 8.125 -4.824 456 HH12 ARG 60 HH12 ARG 60 1.721 9.443 -4.230 457 HH21 ARG 60 HH21 ARG 60 -0.104 9.787 -1.248 458 HH22 ARG 60 HH22 ARG 60 1.239 10.390 -2.181 459 H TYR 61 H TYR 61 -1.347 6.635 1.009 460 HA TYR 61 HA TYR 61 -4.085 7.633 0.544 461 HB2 TYR 61 HB2 TYR 61 -2.607 7.758 3.183 462 HB3 TYR 61 HB3 TYR 61 -4.291 8.171 2.881 463 HD1 TYR 61 HD2 TYR 61 -1.892 5.376 3.126 464 HD2 TYR 61 HD1 TYR 61 -5.992 6.488 2.886 465 HE1 TYR 61 HE2 TYR 61 -2.540 3.081 3.705 466 HE2 TYR 61 HE1 TYR 61 -6.652 4.190 3.469 467 HH TYR 61 HH TYR 61 -4.341 1.839 4.563 468 H PHE 62 H PHE 62 -4.154 9.683 -0.122 469 HA PHE 62 HA PHE 62 -1.743 11.334 0.283 470 HB2 PHE 62 HB2 PHE 62 -2.053 10.684 -2.073 471 HB3 PHE 62 HB3 PHE 62 -3.666 11.386 -2.057 472 HD1 PHE 62 HD1 PHE 62 -0.094 12.281 -1.513 473 HD2 PHE 62 HD2 PHE 62 -3.971 13.584 -2.688 474 HE1 PHE 62 HE1 PHE 62 0.844 14.455 -2.186 475 HE2 PHE 62 HE2 PHE 62 -3.041 15.758 -3.361 476 HZ PHE 62 HZ PHE 62 -0.628 16.196 -3.111 477 H GLY 63 H GLY 63 -1.980 13.371 1.038 478 HA2 GLY 63 HA2 GLY 63 -3.238 15.384 1.379 479 HA3 GLY 63 HA3 GLY 63 -4.708 14.419 1.367 480 H MET 64 H MET 64 -4.435 12.529 3.116 481 HA MET 64 HA MET 64 -4.600 12.014 5.318 482 HB2 MET 64 HB2 MET 64 -2.199 13.839 5.536 483 HB3 MET 64 HB3 MET 64 -2.751 12.742 6.795 484 HG2 MET 64 HG2 MET 64 -1.700 11.998 4.076 485 HG3 MET 64 HG3 MET 64 -0.907 11.753 5.629 486 HE1 MET 64 HE1 MET 64 -3.192 9.040 7.294 487 HE2 MET 64 HE2 MET 64 -3.407 10.785 7.436 488 HE3 MET 64 HE3 MET 64 -1.788 10.089 7.487 489 H SER 65 H SER 65 -6.094 14.262 4.301 490 HA SER 65 HA SER 65 -6.202 16.289 6.312 491 HB2 SER 65 HB2 SER 65 -6.850 16.681 3.946 492 HB3 SER 65 HB3 SER 65 -8.219 15.593 4.160 493 HG SER 65 HG SER 65 -7.871 17.809 5.873 494 H ALA 66 H ALA 66 -7.351 13.137 6.052 495 HA ALA 66 HA ALA 66 -8.558 11.782 7.394 496 HB1 ALA 66 HB1 ALA 66 -9.224 12.494 9.627 497 HB2 ALA 66 HB2 ALA 66 -8.811 14.161 9.226 498 HB3 ALA 66 HB3 ALA 66 -7.549 12.931 9.288 499 H GLY 67 H GLY 67 -10.120 15.006 7.481 500 HA2 GLY 67 HA2 GLY 67 -12.766 14.129 7.537 501 HA3 GLY 67 HA3 GLY 67 -12.233 15.660 6.852 502 H THR 68 H THR 68 -10.822 14.999 4.696 503 HA THR 68 HA THR 68 -12.037 12.845 3.197 504 HB THR 68 HB THR 68 -12.212 15.693 2.171 505 HG1 THR 68 HG1 THR 68 -13.889 14.279 3.709 506 HG21 THR 68 HG21 THR 68 -13.113 13.087 0.935 507 HG22 THR 68 HG22 THR 68 -11.772 14.090 0.385 508 HG23 THR 68 HG23 THR 68 -13.425 14.693 0.277 509 H PHE 69 H PHE 69 -10.493 11.936 1.921 510 HA PHE 69 HA PHE 69 -8.342 13.533 0.863 511 HB2 PHE 69 HB2 PHE 69 -6.530 12.203 1.896 512 HB3 PHE 69 HB3 PHE 69 -7.445 13.134 3.072 513 HD1 PHE 69 HD1 PHE 69 -9.251 11.893 4.403 514 HD2 PHE 69 HD2 PHE 69 -6.201 9.930 2.179 515 HE1 PHE 69 HE1 PHE 69 -9.577 9.866 5.754 516 HE2 PHE 69 HE2 PHE 69 -6.529 7.896 3.522 517 HZ PHE 69 HZ PHE 69 -8.217 7.861 5.312 518 H GLU 70 H GLU 70 -6.691 12.028 -0.269 519 HA GLU 70 HA GLU 70 -8.329 10.502 -2.128 520 HB2 GLU 70 HB2 GLU 70 -6.629 12.276 -2.798 521 HB3 GLU 70 HB3 GLU 70 -5.381 11.136 -2.319 522 HG2 GLU 70 HG2 GLU 70 -5.568 10.936 -4.645 523 HG3 GLU 70 HG3 GLU 70 -6.400 9.529 -3.986 524 H VAL 71 H VAL 71 -8.408 8.349 -2.157 525 HA VAL 71 HA VAL 71 -6.237 6.856 -0.851 526 HB VAL 71 HB VAL 71 -7.884 5.138 -0.172 527 HG11 VAL 71 HG11 VAL 71 -7.164 6.765 1.441 528 HG12 VAL 71 HG12 VAL 71 -8.883 6.446 1.675 529 HG13 VAL 71 HG13 VAL 71 -8.361 7.923 0.864 530 HG21 VAL 71 HG21 VAL 71 -10.271 5.664 -0.148 531 HG22 VAL 71 HG22 VAL 71 -9.647 5.597 -1.795 532 HG23 VAL 71 HG23 VAL 71 -9.955 7.155 -1.031 533 H GLU 72 H GLU 72 -5.224 5.506 -2.119 534 HA GLU 72 HA GLU 72 -6.640 4.209 -4.339 535 HB2 GLU 72 HB2 GLU 72 -3.902 5.480 -4.607 536 HB3 GLU 72 HB3 GLU 72 -4.804 4.657 -5.871 537 HG2 GLU 72 HG2 GLU 72 -6.423 6.400 -5.959 538 HG3 GLU 72 HG3 GLU 72 -5.761 7.164 -4.513 539 H PHE 73 H PHE 73 -6.519 2.121 -3.666 540 HA PHE 73 HA PHE 73 -4.342 1.242 -2.031 541 HB2 PHE 73 HB2 PHE 73 -5.529 -1.057 -2.435 542 HB3 PHE 73 HB3 PHE 73 -6.295 0.166 -1.431 543 HD1 PHE 73 HD2 PHE 73 -8.211 1.450 -2.289 544 HD2 PHE 73 HD1 PHE 73 -6.490 -1.743 -4.516 545 HE1 PHE 73 HE2 PHE 73 -10.226 1.351 -3.696 546 HE2 PHE 73 HE1 PHE 73 -8.503 -1.847 -5.926 547 HZ PHE 73 HZ PHE 73 -10.374 -0.299 -5.517 548 H GLY 74 H GLY 74 -5.486 -0.016 -5.191 549 HA2 GLY 74 HA2 GLY 74 -4.221 -0.582 -7.048 550 HA3 GLY 74 HA3 GLY 74 -2.795 -0.007 -6.202 551 H PHE 75 H PHE 75 -3.537 -2.484 -7.789 552 HA PHE 75 HA PHE 75 -2.158 -4.336 -5.963 553 HB2 PHE 75 HB2 PHE 75 -4.431 -4.986 -7.860 554 HB3 PHE 75 HB3 PHE 75 -3.395 -6.207 -7.137 555 HD1 PHE 75 HD2 PHE 75 -5.879 -3.573 -6.369 556 HD2 PHE 75 HD1 PHE 75 -3.804 -7.015 -4.973 557 HE1 PHE 75 HE2 PHE 75 -7.387 -3.689 -4.428 558 HE2 PHE 75 HE1 PHE 75 -5.312 -7.139 -3.034 559 HZ PHE 75 HZ PHE 75 -7.105 -5.476 -2.760 560 HA PRO 76 HA PRO 76 0.570 -4.481 -9.472 561 HB2 PRO 76 HB2 PRO 76 1.888 -6.807 -8.413 562 HB3 PRO 76 HB3 PRO 76 2.436 -5.131 -8.372 563 HG2 PRO 76 HG2 PRO 76 1.687 -6.573 -6.154 564 HG3 PRO 76 HG3 PRO 76 1.664 -4.804 -6.257 565 HD2 PRO 76 HD2 PRO 76 -0.591 -6.750 -6.517 566 HD3 PRO 76 HD3 PRO 76 -0.562 -5.150 -5.743 567 H VAL 77 H VAL 77 0.481 -5.460 -11.432 568 HA VAL 77 HA VAL 77 -0.919 -8.049 -11.526 569 HB VAL 77 HB VAL 77 -1.765 -7.393 -13.755 570 HG11 VAL 77 HG11 VAL 77 -3.455 -5.804 -12.957 571 HG12 VAL 77 HG12 VAL 77 -2.478 -5.496 -11.521 572 HG13 VAL 77 HG13 VAL 77 -3.168 -7.096 -11.794 573 HG21 VAL 77 HG21 VAL 77 -0.570 -4.701 -13.086 574 HG22 VAL 77 HG22 VAL 77 -1.646 -5.031 -14.442 575 HG23 VAL 77 HG23 VAL 77 -0.054 -5.783 -14.379 576 H GLU 78 H GLU 78 -0.346 -9.519 -13.152 577 HA GLU 78 HA GLU 78 2.425 -9.797 -13.591 578 HB2 GLU 78 HB2 GLU 78 0.999 -11.739 -13.484 579 HB3 GLU 78 HB3 GLU 78 0.046 -11.172 -14.847 580 HG2 GLU 78 HG2 GLU 78 2.286 -11.298 -16.144 581 HG3 GLU 78 HG3 GLU 78 2.790 -12.345 -14.819 582 H GLY 79 H GLY 79 -0.221 -8.707 -15.637 583 HA2 GLY 79 HA2 GLY 79 0.669 -6.900 -17.239 584 HA3 GLY 79 HA3 GLY 79 1.676 -8.222 -17.822 585 H GLY 80 H GLY 80 -0.293 -6.714 -19.303 586 HA2 GLY 80 HA2 GLY 80 -1.796 -7.239 -20.980 587 HA3 GLY 80 HA3 GLY 80 -1.721 -8.924 -20.468 588 H VAL 81 H VAL 81 -2.467 -6.320 -18.276 589 HA VAL 81 HA VAL 81 -5.154 -7.476 -17.953 590 HB VAL 81 HB VAL 81 -3.728 -5.695 -15.978 591 HG11 VAL 81 HG11 VAL 81 -6.138 -5.793 -15.702 592 HG12 VAL 81 HG12 VAL 81 -5.332 -6.630 -14.374 593 HG13 VAL 81 HG13 VAL 81 -6.081 -7.556 -15.676 594 HG21 VAL 81 HG21 VAL 81 -3.174 -7.734 -14.720 595 HG22 VAL 81 HG22 VAL 81 -2.383 -7.698 -16.297 596 HG23 VAL 81 HG23 VAL 81 -3.806 -8.709 -16.046 597 H GLU 82 H GLU 82 -6.921 -6.018 -17.643 598 HA GLU 82 HA GLU 82 -6.479 -3.442 -18.989 599 HB2 GLU 82 HB2 GLU 82 -8.796 -5.312 -19.510 600 HB3 GLU 82 HB3 GLU 82 -8.453 -3.797 -20.336 601 HG2 GLU 82 HG2 GLU 82 -6.472 -4.723 -21.330 602 HG3 GLU 82 HG3 GLU 82 -6.657 -6.212 -20.406 603 H GLY 83 H GLY 83 -7.609 -1.736 -18.231 604 HA2 GLY 83 HA2 GLY 83 -8.818 -1.911 -15.664 605 HA3 GLY 83 HA3 GLY 83 -8.786 -0.492 -16.703 606 H SER 84 H SER 84 -10.902 -1.967 -15.046 607 HA SER 84 HA SER 84 -12.828 -2.779 -17.041 608 HB2 SER 84 HB2 SER 84 -14.285 -3.027 -14.925 609 HB3 SER 84 HB3 SER 84 -12.885 -4.090 -15.084 610 HG SER 84 HG SER 84 -12.854 -3.229 -13.033 611 H GLY 85 H GLY 85 -11.923 0.118 -15.531 612 HA2 GLY 85 HA2 GLY 85 -13.336 1.943 -16.803 613 HA3 GLY 85 HA3 GLY 85 -14.581 1.317 -15.728 614 H ARG 86 H ARG 86 -14.280 1.523 -13.438 615 HA ARG 86 HA ARG 86 -12.915 3.959 -12.728 616 HB2 ARG 86 HB2 ARG 86 -13.757 3.467 -10.420 617 HB3 ARG 86 HB3 ARG 86 -15.005 3.587 -11.650 618 HG2 ARG 86 HG2 ARG 86 -15.006 1.088 -11.769 619 HG3 ARG 86 HG3 ARG 86 -13.928 1.086 -10.371 620 HD2 ARG 86 HD2 ARG 86 -15.567 2.129 -9.002 621 HD3 ARG 86 HD3 ARG 86 -16.596 2.476 -10.391 622 HE ARG 86 HE ARG 86 -16.132 -0.207 -9.243 623 HH11 ARG 86 HH11 ARG 86 -18.099 2.063 -11.069 624 HH12 ARG 86 HH12 ARG 86 -19.414 0.938 -11.271 625 HH21 ARG 86 HH21 ARG 86 -17.862 -1.670 -9.512 626 HH22 ARG 86 HH22 ARG 86 -19.283 -1.162 -10.385 627 H VAL 87 H VAL 87 -12.096 0.674 -12.842 628 HA VAL 87 HA VAL 87 -9.800 1.002 -11.083 629 HB VAL 87 HB VAL 87 -10.418 -1.338 -12.898 630 HG11 VAL 87 HG11 VAL 87 -8.113 -1.207 -12.117 631 HG12 VAL 87 HG12 VAL 87 -8.951 -2.580 -11.392 632 HG13 VAL 87 HG13 VAL 87 -8.675 -1.116 -10.447 633 HG21 VAL 87 HG21 VAL 87 -12.304 -1.058 -11.414 634 HG22 VAL 87 HG22 VAL 87 -11.230 -0.930 -10.021 635 HG23 VAL 87 HG23 VAL 87 -11.353 -2.452 -10.901 636 H VAL 88 H VAL 88 -8.256 2.274 -11.946 637 HA VAL 88 HA VAL 88 -7.859 2.209 -14.851 638 HB VAL 88 HB VAL 88 -6.567 4.293 -14.551 639 HG11 VAL 88 HG11 VAL 88 -8.945 4.399 -15.061 640 HG12 VAL 88 HG12 VAL 88 -8.473 5.737 -14.012 641 HG13 VAL 88 HG13 VAL 88 -9.331 4.350 -13.341 642 HG21 VAL 88 HG21 VAL 88 -5.760 3.932 -12.277 643 HG22 VAL 88 HG22 VAL 88 -7.404 4.074 -11.657 644 HG23 VAL 88 HG23 VAL 88 -6.619 5.467 -12.400 645 H THR 89 H THR 89 -5.679 2.293 -15.692 646 HA THR 89 HA THR 89 -3.966 0.452 -14.190 647 HB THR 89 HB THR 89 -2.819 0.202 -16.450 648 HG1 THR 89 HG1 THR 89 -3.789 1.092 -18.208 649 HG21 THR 89 HG21 THR 89 -4.571 -1.263 -17.358 650 HG22 THR 89 HG22 THR 89 -5.743 -0.535 -16.259 651 HG23 THR 89 HG23 THR 89 -4.394 -1.472 -15.617 652 H GLY 90 H GLY 90 -1.859 0.927 -13.699 653 HA2 GLY 90 HA2 GLY 90 -0.353 3.003 -14.876 654 HA3 GLY 90 HA3 GLY 90 -1.061 3.579 -13.371 655 H LEU 91 H LEU 91 0.876 3.757 -12.273 656 HA LEU 91 HA LEU 91 1.878 1.193 -11.316 657 HB2 LEU 91 HB2 LEU 91 4.236 2.112 -11.406 658 HB3 LEU 91 HB3 LEU 91 3.529 1.596 -12.922 659 HG LEU 91 HG LEU 91 2.989 4.053 -13.346 660 HD11 LEU 91 HD11 LEU 91 4.373 5.691 -12.189 661 HD12 LEU 91 HD12 LEU 91 4.991 4.429 -11.123 662 HD13 LEU 91 HD13 LEU 91 3.287 4.875 -11.063 663 HD21 LEU 91 HD21 LEU 91 4.751 2.862 -14.506 664 HD22 LEU 91 HD22 LEU 91 5.861 3.167 -13.170 665 HD23 LEU 91 HD23 LEU 91 5.260 4.511 -14.140 666 H THR 92 H THR 92 3.300 1.499 -9.375 667 HA THR 92 HA THR 92 1.976 3.298 -7.561 668 HB THR 92 HB THR 92 3.556 2.274 -5.874 669 HG1 THR 92 HG1 THR 92 4.756 0.467 -6.594 670 HG21 THR 92 HG21 THR 92 1.890 0.394 -7.551 671 HG22 THR 92 HG22 THR 92 1.313 1.382 -6.210 672 HG23 THR 92 HG23 THR 92 2.454 0.071 -5.911 673 HA PRO 93 HA PRO 93 4.780 6.661 -7.872 674 HB2 PRO 93 HB2 PRO 93 4.550 7.743 -5.389 675 HB3 PRO 93 HB3 PRO 93 3.294 7.882 -6.623 676 HG2 PRO 93 HG2 PRO 93 3.477 5.992 -4.312 677 HG3 PRO 93 HG3 PRO 93 2.071 6.888 -4.915 678 HD2 PRO 93 HD2 PRO 93 2.479 4.273 -5.474 679 HD3 PRO 93 HD3 PRO 93 1.683 5.375 -6.614 680 H SER 94 H SER 94 6.869 7.184 -7.512 681 HA SER 94 HA SER 94 8.412 5.438 -5.743 682 HB2 SER 94 HB2 SER 94 9.054 5.741 -8.170 683 HB3 SER 94 HB3 SER 94 9.423 7.423 -7.797 684 HG SER 94 HG SER 94 10.585 5.346 -6.285 685 H GLY 95 H GLY 95 10.179 6.496 -4.471 686 HA2 GLY 95 HA2 GLY 95 10.687 8.991 -3.787 687 HA3 GLY 95 HA3 GLY 95 9.063 8.837 -3.126 688 H LYS 96 H LYS 96 9.698 9.020 -0.964 689 HA LYS 96 HA LYS 96 10.763 6.558 0.135 690 HB2 LYS 96 HB2 LYS 96 12.556 7.556 1.383 691 HB3 LYS 96 HB3 LYS 96 12.783 7.941 -0.317 692 HG2 LYS 96 HG2 LYS 96 11.853 10.165 0.063 693 HG3 LYS 96 HG3 LYS 96 11.633 9.775 1.770 694 HD2 LYS 96 HD2 LYS 96 13.646 11.030 1.552 695 HD3 LYS 96 HD3 LYS 96 14.085 9.365 1.916 696 HE2 LYS 96 HE2 LYS 96 14.602 8.942 -0.398 697 HE3 LYS 96 HE3 LYS 96 14.028 10.545 -0.858 698 HZ1 LYS 96 HZ1 LYS 96 15.804 11.492 0.523 699 HZ2 LYS 96 HZ2 LYS 96 16.407 10.546 -0.746 700 HZ3 LYS 96 HZ3 LYS 96 16.391 9.932 0.836 701 H ALA 97 H ALA 97 10.541 6.442 2.447 702 HA ALA 97 HA ALA 97 9.111 8.457 3.886 703 HB1 ALA 97 HB1 ALA 97 7.077 7.139 4.302 704 HB2 ALA 97 HB2 ALA 97 7.637 5.924 3.151 705 HB3 ALA 97 HB3 ALA 97 7.250 7.552 2.596 706 H ALA 98 H ALA 98 8.385 7.468 6.082 707 HA ALA 98 HA ALA 98 10.535 5.764 7.072 708 HB1 ALA 98 HB1 ALA 98 9.646 6.309 9.294 709 HB2 ALA 98 HB2 ALA 98 8.323 7.199 8.543 710 HB3 ALA 98 HB3 ALA 98 9.983 7.764 8.355 711 H SER 99 H SER 99 10.261 3.622 7.300 712 HA SER 99 HA SER 99 7.497 2.606 7.256 713 HB2 SER 99 HB2 SER 99 8.390 0.651 5.988 714 HB3 SER 99 HB3 SER 99 8.540 2.177 5.115 715 HG SER 99 HG SER 99 10.753 1.946 6.486 716 H SER 100 H SER 100 7.123 0.589 8.286 717 HA SER 100 HA SER 100 9.291 -0.554 9.868 718 HB2 SER 100 HB2 SER 100 6.587 0.138 11.055 719 HB3 SER 100 HB3 SER 100 7.894 -0.711 11.880 720 HG SER 100 HG SER 100 8.749 1.624 10.811 721 H LEU 101 H LEU 101 8.818 -2.772 10.510 722 HA LEU 101 HA LEU 101 7.072 -4.031 8.539 723 HB2 LEU 101 HB2 LEU 101 9.105 -5.299 10.371 724 HB3 LEU 101 HB3 LEU 101 8.242 -6.102 9.075 725 HG LEU 101 HG LEU 101 10.257 -3.878 8.730 726 HD11 LEU 101 HD11 LEU 101 11.286 -5.970 9.406 727 HD12 LEU 101 HD12 LEU 101 11.640 -5.621 7.714 728 HD13 LEU 101 HD13 LEU 101 10.422 -6.826 8.129 729 HD21 LEU 101 HD21 LEU 101 8.547 -3.782 7.017 730 HD22 LEU 101 HD22 LEU 101 8.736 -5.505 6.699 731 HD23 LEU 101 HD23 LEU 101 10.055 -4.392 6.336 732 H TYR 102 H TYR 102 5.057 -4.265 9.191 733 HA TYR 102 HA TYR 102 4.452 -4.896 11.973 734 HB2 TYR 102 HB2 TYR 102 3.109 -3.166 10.865 735 HB3 TYR 102 HB3 TYR 102 2.657 -4.301 9.602 736 HD1 TYR 102 HD1 TYR 102 2.308 -3.630 13.247 737 HD2 TYR 102 HD2 TYR 102 0.766 -5.657 9.839 738 HE1 TYR 102 HE1 TYR 102 0.308 -4.267 14.532 739 HE2 TYR 102 HE2 TYR 102 -1.232 -6.298 11.113 740 HH TYR 102 HH TYR 102 -1.887 -6.626 13.450 741 H ILE 103 H ILE 103 4.900 -7.014 12.354 742 HA ILE 103 HA ILE 103 4.008 -9.009 10.397 743 HB ILE 103 HB ILE 103 5.836 -9.343 12.787 744 HG12 ILE 103 HG12 ILE 103 7.412 -10.034 10.802 745 HG13 ILE 103 HG13 ILE 103 6.313 -9.048 9.845 746 HG21 ILE 103 HG21 ILE 103 4.531 -11.359 12.407 747 HG22 ILE 103 HG22 ILE 103 6.222 -11.616 11.974 748 HG23 ILE 103 HG23 ILE 103 5.016 -11.369 10.711 749 HD11 ILE 103 HD11 ILE 103 7.892 -8.132 12.235 750 HD12 ILE 103 HD12 ILE 103 6.779 -7.139 11.295 751 HD13 ILE 103 HD13 ILE 103 8.244 -7.772 10.544 752 H GLY 104 H GLY 104 2.134 -9.988 10.718 753 HA2 GLY 104 HA2 GLY 104 1.264 -11.652 12.496 754 HA3 GLY 104 HA3 GLY 104 1.088 -10.192 13.459 755 HA PRO 105 HA PRO 105 -2.881 -10.671 11.071 756 HB2 PRO 105 HB2 PRO 105 -4.127 -10.597 13.712 757 HB3 PRO 105 HB3 PRO 105 -4.309 -11.800 12.434 758 HG2 PRO 105 HG2 PRO 105 -3.029 -12.328 14.760 759 HG3 PRO 105 HG3 PRO 105 -2.587 -13.097 13.225 760 HD2 PRO 105 HD2 PRO 105 -1.279 -10.802 14.641 761 HD3 PRO 105 HD3 PRO 105 -0.535 -12.183 13.805 762 H TYR 106 H TYR 106 -4.894 -9.106 11.670 763 HA TYR 106 HA TYR 106 -3.554 -6.519 11.958 764 HB2 TYR 106 HB2 TYR 106 -5.043 -7.126 9.951 765 HB3 TYR 106 HB3 TYR 106 -6.400 -6.928 11.055 766 HD1 TYR 106 HD2 TYR 106 -3.505 -5.167 9.559 767 HD2 TYR 106 HD1 TYR 106 -7.246 -4.772 11.549 768 HE1 TYR 106 HE2 TYR 106 -3.474 -2.748 9.114 769 HE2 TYR 106 HE1 TYR 106 -7.224 -2.351 11.113 770 HH TYR 106 HH TYR 106 -5.026 -0.878 8.950 771 H GLY 107 H GLY 107 -3.922 -5.167 13.565 772 HA2 GLY 107 HA2 GLY 107 -6.292 -5.283 15.198 773 HA3 GLY 107 HA3 GLY 107 -4.840 -5.843 16.021 774 H GLU 108 H GLU 108 -3.701 -4.344 17.077 775 HA GLU 108 HA GLU 108 -4.324 -1.564 16.605 776 HB2 GLU 108 HB2 GLU 108 -2.725 -1.156 18.510 777 HB3 GLU 108 HB3 GLU 108 -4.144 -2.115 18.895 778 HG2 GLU 108 HG2 GLU 108 -2.815 -4.148 18.817 779 HG3 GLU 108 HG3 GLU 108 -1.389 -3.213 18.366 780 H ILE 109 H ILE 109 -3.537 -1.149 14.587 781 HA ILE 109 HA ILE 109 -0.833 -1.717 13.832 782 HB ILE 109 HB ILE 109 -2.706 -1.558 12.192 783 HG12 ILE 109 HG12 ILE 109 -0.436 0.379 11.681 784 HG13 ILE 109 HG13 ILE 109 -0.336 -1.367 11.491 785 HG21 ILE 109 HG21 ILE 109 -3.451 0.654 11.438 786 HG22 ILE 109 HG22 ILE 109 -2.524 1.399 12.742 787 HG23 ILE 109 HG23 ILE 109 -3.886 0.343 13.120 788 HD11 ILE 109 HD11 ILE 109 -2.005 -1.267 9.714 789 HD12 ILE 109 HD12 ILE 109 -0.608 -0.252 9.354 790 HD13 ILE 109 HD13 ILE 109 -2.112 0.482 9.913 791 H GLU 110 H GLU 110 -2.295 0.635 15.724 792 HA GLU 110 HA GLU 110 -0.870 2.960 15.430 793 HB2 GLU 110 HB2 GLU 110 -1.157 3.237 17.879 794 HB3 GLU 110 HB3 GLU 110 -2.628 2.716 17.065 795 HG2 GLU 110 HG2 GLU 110 -1.938 0.347 17.725 796 HG3 GLU 110 HG3 GLU 110 -0.792 1.123 18.817 797 H ALA 111 H ALA 111 0.321 -0.113 16.431 798 HA ALA 111 HA ALA 111 2.584 0.512 17.889 799 HB1 ALA 111 HB1 ALA 111 3.482 -1.622 17.122 800 HB2 ALA 111 HB2 ALA 111 2.256 -1.686 15.858 801 HB3 ALA 111 HB3 ALA 111 1.778 -1.763 17.553 802 H VAL 112 H VAL 112 2.136 0.531 14.359 803 HA VAL 112 HA VAL 112 4.909 1.035 13.845 804 HB VAL 112 HB VAL 112 3.490 -0.078 12.163 805 HG11 VAL 112 HG11 VAL 112 2.192 2.624 11.839 806 HG12 VAL 112 HG12 VAL 112 1.422 1.167 12.467 807 HG13 VAL 112 HG13 VAL 112 1.949 1.229 10.785 808 HG21 VAL 112 HG21 VAL 112 4.339 1.112 10.216 809 HG22 VAL 112 HG22 VAL 112 5.556 1.038 11.491 810 HG23 VAL 112 HG23 VAL 112 4.661 2.532 11.212 811 H TYR 113 H TYR 113 2.048 3.019 14.274 812 HA TYR 113 HA TYR 113 3.096 5.469 13.380 813 HB2 TYR 113 HB2 TYR 113 1.044 4.889 15.530 814 HB3 TYR 113 HB3 TYR 113 1.400 6.500 14.919 815 HD1 TYR 113 HD2 TYR 113 -0.055 3.218 14.058 816 HD2 TYR 113 HD1 TYR 113 0.537 7.245 12.822 817 HE1 TYR 113 HE2 TYR 113 -1.722 2.910 12.277 818 HE2 TYR 113 HE1 TYR 113 -1.128 6.947 11.036 819 HH TYR 113 HH TYR 113 -2.088 5.027 9.712 820 H ASP 114 H ASP 114 3.040 3.966 16.576 821 HA ASP 114 HA ASP 114 4.462 6.028 17.902 822 HB2 ASP 114 HB2 ASP 114 3.059 4.492 19.139 823 HB3 ASP 114 HB3 ASP 114 4.025 3.123 18.608 824 H ALA 115 H ALA 115 5.464 3.036 16.324 825 HA ALA 115 HA ALA 115 8.156 3.025 17.124 826 HB1 ALA 115 HB1 ALA 115 8.545 1.560 15.213 827 HB2 ALA 115 HB2 ALA 115 6.975 1.999 14.542 828 HB3 ALA 115 HB3 ALA 115 7.068 1.105 16.059 829 H LEU 116 H LEU 116 6.619 4.347 14.208 830 HA LEU 116 HA LEU 116 8.992 5.448 13.135 831 HB2 LEU 116 HB2 LEU 116 6.101 6.173 12.669 832 HB3 LEU 116 HB3 LEU 116 7.441 6.792 11.722 833 HG LEU 116 HG LEU 116 6.623 3.893 11.921 834 HD11 LEU 116 HD11 LEU 116 5.032 5.196 10.639 835 HD12 LEU 116 HD12 LEU 116 5.988 4.175 9.565 836 HD13 LEU 116 HD13 LEU 116 6.342 5.897 9.690 837 HD21 LEU 116 HD21 LEU 116 8.280 3.520 10.178 838 HD22 LEU 116 HD22 LEU 116 9.034 4.178 11.632 839 HD23 LEU 116 HD23 LEU 116 8.741 5.221 10.239 840 H MET 117 H MET 117 6.499 6.711 15.276 841 HA MET 117 HA MET 117 7.202 9.393 15.319 842 HB2 MET 117 HB2 MET 117 5.967 7.571 17.343 843 HB3 MET 117 HB3 MET 117 6.425 9.199 17.821 844 HG2 MET 117 HG2 MET 117 4.790 8.854 15.365 845 HG3 MET 117 HG3 MET 117 4.013 8.637 16.929 846 HE1 MET 117 HE1 MET 117 6.054 11.181 14.661 847 HE2 MET 117 HE2 MET 117 6.994 11.101 16.151 848 HE3 MET 117 HE3 MET 117 6.126 12.578 15.736 849 H LYS 118 H LYS 118 8.523 6.723 17.251 850 HA LYS 118 HA LYS 118 10.356 8.286 18.713 851 HB2 LYS 118 HB2 LYS 118 9.666 5.873 19.164 852 HB3 LYS 118 HB3 LYS 118 10.771 5.405 17.883 853 HG2 LYS 118 HG2 LYS 118 11.647 6.978 20.295 854 HG3 LYS 118 HG3 LYS 118 11.625 5.217 20.259 855 HD2 LYS 118 HD2 LYS 118 13.196 5.231 18.382 856 HD3 LYS 118 HD3 LYS 118 13.196 6.996 18.384 857 HE2 LYS 118 HE2 LYS 118 14.134 7.000 20.638 858 HE3 LYS 118 HE3 LYS 118 14.102 5.238 20.664 859 HZ1 LYS 118 HZ1 LYS 118 15.634 5.281 18.732 860 HZ2 LYS 118 HZ2 LYS 118 16.300 5.944 20.141 861 HZ3 LYS 118 HZ3 LYS 118 15.757 6.965 18.898 862 H TRP 119 H TRP 119 10.776 6.350 15.771 863 HA TRP 119 HA TRP 119 13.496 6.780 15.427 864 HB2 TRP 119 HB2 TRP 119 12.223 5.040 14.272 865 HB3 TRP 119 HB3 TRP 119 11.382 6.266 13.329 866 HD1 TRP 119 HD1 TRP 119 14.918 4.777 13.763 867 HE1 TRP 119 HE1 TRP 119 16.209 5.103 11.558 868 HE3 TRP 119 HE3 TRP 119 11.458 7.547 11.204 869 HZ2 TRP 119 HZ2 TRP 119 15.805 6.368 9.069 870 HZ3 TRP 119 HZ3 TRP 119 11.992 8.271 8.914 871 HH2 TRP 119 HH2 TRP 119 14.119 7.694 7.870 872 H VAL 120 H VAL 120 10.802 8.552 13.875 873 HA VAL 120 HA VAL 120 12.554 10.155 12.313 874 HB VAL 120 HB VAL 120 10.259 9.742 11.617 875 HG11 VAL 120 HG11 VAL 120 8.383 10.916 12.666 876 HG12 VAL 120 HG12 VAL 120 9.466 11.477 13.939 877 HG13 VAL 120 HG13 VAL 120 9.139 9.754 13.755 878 HG21 VAL 120 HG21 VAL 120 11.406 11.689 10.721 879 HG22 VAL 120 HG22 VAL 120 10.843 12.663 12.080 880 HG23 VAL 120 HG23 VAL 120 9.684 12.025 10.912 881 H ASP 121 H ASP 121 10.853 10.724 15.346 882 HA ASP 121 HA ASP 121 11.563 13.478 15.541 883 HB2 ASP 121 HB2 ASP 121 9.631 12.421 16.729 884 HB3 ASP 121 HB3 ASP 121 10.774 11.594 17.778 885 H ASP 122 H ASP 122 12.990 10.486 16.667 886 HA ASP 122 HA ASP 122 14.884 11.740 18.413 887 HB2 ASP 122 HB2 ASP 122 14.017 9.424 18.730 888 HB3 ASP 122 HB3 ASP 122 14.904 8.929 17.293 889 H ASN 123 H ASN 123 14.906 10.587 15.092 890 HA ASN 123 HA ASN 123 17.754 11.065 14.829 891 HB2 ASN 123 HB2 ASN 123 15.669 10.168 12.840 892 HB3 ASN 123 HB3 ASN 123 17.355 10.441 12.418 893 HD21 ASN 123 HD21 ASN 123 17.755 8.340 11.857 894 HD22 ASN 123 HD22 ASN 123 17.818 7.047 13.008 895 H GLY 124 H GLY 124 14.740 12.606 13.862 896 HA2 GLY 124 HA2 GLY 124 14.482 14.911 13.538 897 HA3 GLY 124 HA3 GLY 124 16.226 15.070 13.407 898 H PHE 125 H PHE 125 13.581 13.438 11.662 899 HA PHE 125 HA PHE 125 14.817 14.258 9.135 900 HB2 PHE 125 HB2 PHE 125 12.806 12.133 9.848 901 HB3 PHE 125 HB3 PHE 125 13.045 12.654 8.190 902 HD1 PHE 125 HD2 PHE 125 15.092 12.155 7.007 903 HD2 PHE 125 HD1 PHE 125 14.493 10.862 11.013 904 HE1 PHE 125 HE2 PHE 125 16.982 10.597 6.782 905 HE2 PHE 125 HE1 PHE 125 16.382 9.304 10.796 906 HZ PHE 125 HZ PHE 125 17.629 9.169 8.678 907 H ASP 126 H ASP 126 13.336 15.015 7.410 908 HA ASP 126 HA ASP 126 11.470 16.957 8.517 909 HB2 ASP 126 HB2 ASP 126 13.151 17.650 6.810 910 HB3 ASP 126 HB3 ASP 126 12.357 16.594 5.644 911 H LEU 127 H LEU 127 9.349 17.283 7.367 912 HA LEU 127 HA LEU 127 7.857 14.924 7.737 913 HB2 LEU 127 HB2 LEU 127 6.897 17.395 6.302 914 HB3 LEU 127 HB3 LEU 127 5.910 16.161 7.050 915 HG LEU 127 HG LEU 127 7.211 16.930 9.231 916 HD11 LEU 127 HD11 LEU 127 7.226 19.402 7.506 917 HD12 LEU 127 HD12 LEU 127 8.648 18.526 8.074 918 HD13 LEU 127 HD13 LEU 127 7.590 19.335 9.231 919 HD21 LEU 127 HD21 LEU 127 4.790 16.944 8.900 920 HD22 LEU 127 HD22 LEU 127 4.919 18.463 8.013 921 HD23 LEU 127 HD23 LEU 127 5.339 18.404 9.724 922 H SER 128 H SER 128 6.678 13.685 6.365 923 HA SER 128 HA SER 128 6.684 14.237 3.517 924 HB2 SER 128 HB2 SER 128 7.447 11.509 4.612 925 HB3 SER 128 HB3 SER 128 7.269 11.939 2.909 926 HG SER 128 HG SER 128 8.951 13.670 4.016 927 H GLY 129 H GLY 129 4.563 14.828 3.851 928 HA2 GLY 129 HA2 GLY 129 2.750 13.213 5.385 929 HA3 GLY 129 HA3 GLY 129 2.347 14.650 4.465 930 H GLU 130 H GLU 130 3.467 11.344 3.741 931 HA GLU 130 HA GLU 130 1.015 10.911 2.210 932 HB2 GLU 130 HB2 GLU 130 3.808 10.446 1.142 933 HB3 GLU 130 HB3 GLU 130 2.359 9.771 0.412 934 HG2 GLU 130 HG2 GLU 130 1.505 12.042 0.044 935 HG3 GLU 130 HG3 GLU 130 2.990 12.694 0.732 936 H ALA 131 H ALA 131 0.174 8.920 2.532 937 HA ALA 131 HA ALA 131 1.711 7.124 4.282 938 HB1 ALA 131 HB1 ALA 131 -1.245 7.162 3.666 939 HB2 ALA 131 HB2 ALA 131 -0.477 7.825 5.109 940 HB3 ALA 131 HB3 ALA 131 -0.440 6.087 4.810 941 H TYR 132 H TYR 132 2.283 5.118 3.666 942 HA TYR 132 HA TYR 132 1.251 4.018 1.152 943 HB2 TYR 132 HB2 TYR 132 3.363 5.447 0.812 944 HB3 TYR 132 HB3 TYR 132 4.211 4.211 1.725 945 HD1 TYR 132 HD1 TYR 132 4.214 1.824 0.774 946 HD2 TYR 132 HD2 TYR 132 3.036 5.235 -1.477 947 HE1 TYR 132 HE1 TYR 132 4.644 0.589 -1.312 948 HE2 TYR 132 HE2 TYR 132 3.448 4.009 -3.567 949 HH TYR 132 HH TYR 132 4.870 2.090 -4.312 950 H GLU 133 H GLU 133 0.490 2.069 1.873 951 HA GLU 133 HA GLU 133 2.332 0.475 3.524 952 HB2 GLU 133 HB2 GLU 133 0.500 -0.403 4.837 953 HB3 GLU 133 HB3 GLU 133 0.497 1.351 4.942 954 HG2 GLU 133 HG2 GLU 133 -1.330 1.459 3.338 955 HG3 GLU 133 HG3 GLU 133 -1.308 -0.297 3.183 956 H ILE 134 H ILE 134 2.308 -1.752 3.173 957 HA ILE 134 HA ILE 134 0.600 -2.729 1.001 958 HB ILE 134 HB ILE 134 2.473 -4.017 0.045 959 HG12 ILE 134 HG12 ILE 134 4.209 -2.326 1.856 960 HG13 ILE 134 HG13 ILE 134 3.939 -4.059 2.021 961 HG21 ILE 134 HG21 ILE 134 1.830 -1.937 -0.997 962 HG22 ILE 134 HG22 ILE 134 3.581 -2.128 -1.083 963 HG23 ILE 134 HG23 ILE 134 2.870 -1.032 0.103 964 HD11 ILE 134 HD11 ILE 134 5.015 -4.443 -0.123 965 HD12 ILE 134 HD12 ILE 134 6.083 -3.568 0.975 966 HD13 ILE 134 HD13 ILE 134 5.255 -2.707 -0.324 967 H TYR 135 H TYR 135 -0.217 -4.703 1.330 968 HA TYR 135 HA TYR 135 0.506 -6.039 3.828 969 HB2 TYR 135 HB2 TYR 135 -1.752 -6.658 1.906 970 HB3 TYR 135 HB3 TYR 135 -1.528 -7.355 3.509 971 HD1 TYR 135 HD2 TYR 135 -1.456 -5.633 5.485 972 HD2 TYR 135 HD1 TYR 135 -3.122 -4.801 1.659 973 HE1 TYR 135 HE2 TYR 135 -2.763 -3.795 6.459 974 HE2 TYR 135 HE1 TYR 135 -4.431 -2.958 2.625 975 HH TYR 135 HH TYR 135 -3.785 -1.559 5.491 976 H LEU 136 H LEU 136 2.479 -6.909 3.254 977 HA LEU 136 HA LEU 136 2.869 -8.296 0.785 978 HB2 LEU 136 HB2 LEU 136 4.587 -6.960 2.090 979 HB3 LEU 136 HB3 LEU 136 4.661 -8.303 3.211 980 HG LEU 136 HG LEU 136 5.083 -9.149 0.454 981 HD11 LEU 136 HD11 LEU 136 7.299 -8.133 0.219 982 HD12 LEU 136 HD12 LEU 136 7.013 -7.175 1.673 983 HD13 LEU 136 HD13 LEU 136 6.028 -6.911 0.234 984 HD21 LEU 136 HD21 LEU 136 7.012 -10.247 1.464 985 HD22 LEU 136 HD22 LEU 136 5.562 -10.515 2.434 986 HD23 LEU 136 HD23 LEU 136 6.766 -9.334 2.952 987 H ASP 137 H ASP 137 3.580 -10.531 0.650 988 HA ASP 137 HA ASP 137 3.266 -12.764 0.915 989 HB2 ASP 137 HB2 ASP 137 2.618 -11.986 3.763 990 HB3 ASP 137 HB3 ASP 137 2.576 -13.648 3.191 991 H ASN 138 H ASN 138 1.294 -14.224 2.156 992 HA ASN 138 HA ASN 138 -1.273 -12.970 1.577 993 HB2 ASN 138 HB2 ASN 138 -0.363 -14.033 -0.558 994 HB3 ASN 138 HB3 ASN 138 -0.477 -15.585 0.261 995 HD21 ASN 138 HD21 ASN 138 -1.942 -16.413 -1.185 996 HD22 ASN 138 HD22 ASN 138 -3.589 -15.875 -1.257 997 HA PRO 139 HA PRO 139 -2.273 -15.471 5.157 998 HB2 PRO 139 HB2 PRO 139 -5.001 -15.521 4.840 999 HB3 PRO 139 HB3 PRO 139 -4.106 -14.188 5.574 1000 HG2 PRO 139 HG2 PRO 139 -5.165 -14.457 2.793 1001 HG3 PRO 139 HG3 PRO 139 -5.140 -13.034 3.852 1002 HD2 PRO 139 HD2 PRO 139 -3.375 -13.357 1.843 1003 HD3 PRO 139 HD3 PRO 139 -2.936 -12.552 3.364 1004 H ALA 140 H ALA 140 -3.027 -17.519 5.701 1005 HA ALA 140 HA ALA 140 -3.249 -19.758 5.427 1006 HB1 ALA 140 HB1 ALA 140 -4.908 -18.947 3.044 1007 HB2 ALA 140 HB2 ALA 140 -5.483 -19.116 4.703 1008 HB3 ALA 140 HB3 ALA 140 -4.913 -20.531 3.818 1009 H GLU 141 H GLU 141 -1.119 -18.216 3.903 1010 HA GLU 141 HA GLU 141 -0.261 -20.473 2.237 1011 HB2 GLU 141 HB2 GLU 141 -1.230 -18.348 0.995 1012 HB3 GLU 141 HB3 GLU 141 0.350 -17.670 1.361 1013 HG2 GLU 141 HG2 GLU 141 -0.127 -20.217 -0.171 1014 HG3 GLU 141 HG3 GLU 141 0.203 -18.643 -0.891 1015 H THR 142 H THR 142 0.800 -17.304 3.480 1016 HA THR 142 HA THR 142 3.496 -18.302 3.884 1017 HB THR 142 HB THR 142 2.890 -15.974 3.004 1018 HG1 THR 142 HG1 THR 142 4.751 -15.146 3.865 1019 HG21 THR 142 HG21 THR 142 2.492 -14.245 4.702 1020 HG22 THR 142 HG22 THR 142 2.377 -15.497 5.942 1021 HG23 THR 142 HG23 THR 142 1.177 -15.420 4.650 1022 H ALA 143 H ALA 143 1.080 -19.202 5.449 1023 HA ALA 143 HA ALA 143 0.592 -19.924 7.544 1024 HB1 ALA 143 HB1 ALA 143 2.149 -19.710 9.379 1025 HB2 ALA 143 HB2 ALA 143 3.120 -18.564 8.455 1026 HB3 ALA 143 HB3 ALA 143 2.999 -20.243 7.928 1027 HA PRO 144 HA PRO 144 -1.515 -16.401 9.199 1028 HB2 PRO 144 HB2 PRO 144 -2.496 -17.526 11.459 1029 HB3 PRO 144 HB3 PRO 144 -3.164 -17.865 9.858 1030 HG2 PRO 144 HG2 PRO 144 -1.262 -19.486 11.497 1031 HG3 PRO 144 HG3 PRO 144 -2.653 -20.021 10.533 1032 HD2 PRO 144 HD2 PRO 144 -0.086 -20.201 9.659 1033 HD3 PRO 144 HD3 PRO 144 -1.467 -19.972 8.568 1034 H ASP 145 H ASP 145 -1.290 -14.912 10.810 1035 HA ASP 145 HA ASP 145 -0.532 -13.795 12.639 1036 HB2 ASP 145 HB2 ASP 145 -0.790 -16.021 13.790 1037 HB3 ASP 145 HB3 ASP 145 0.910 -16.324 13.452 1038 H GLN 146 H GLN 146 1.311 -14.890 10.152 1039 HA GLN 146 HA GLN 146 3.586 -13.248 11.051 1040 HB2 GLN 146 HB2 GLN 146 3.585 -15.905 9.757 1041 HB3 GLN 146 HB3 GLN 146 4.768 -14.752 9.157 1042 HG2 GLN 146 HG2 GLN 146 5.475 -14.413 11.554 1043 HG3 GLN 146 HG3 GLN 146 4.469 -15.807 11.951 1044 HE21 GLN 146 HE21 GLN 146 5.088 -17.842 11.263 1045 HE22 GLN 146 HE22 GLN 146 6.684 -18.179 10.678 1046 H LEU 147 H LEU 147 1.103 -12.666 9.467 1047 HA LEU 147 HA LEU 147 1.869 -12.078 6.809 1048 HB2 LEU 147 HB2 LEU 147 -0.189 -10.740 8.573 1049 HB3 LEU 147 HB3 LEU 147 -0.046 -10.511 6.840 1050 HG LEU 147 HG LEU 147 -0.736 -13.112 8.212 1051 HD11 LEU 147 HD11 LEU 147 -2.957 -12.781 7.266 1052 HD12 LEU 147 HD12 LEU 147 -2.456 -11.222 6.610 1053 HD13 LEU 147 HD13 LEU 147 -2.533 -11.461 8.356 1054 HD21 LEU 147 HD21 LEU 147 0.489 -13.472 6.138 1055 HD22 LEU 147 HD22 LEU 147 -0.619 -12.398 5.285 1056 HD23 LEU 147 HD23 LEU 147 -1.207 -13.922 5.950 1057 H ARG 148 H ARG 148 3.193 -10.527 6.067 1058 HA ARG 148 HA ARG 148 4.237 -8.637 8.053 1059 HB2 ARG 148 HB2 ARG 148 5.426 -9.698 5.489 1060 HB3 ARG 148 HB3 ARG 148 6.168 -8.428 6.456 1061 HG2 ARG 148 HG2 ARG 148 6.443 -9.920 8.311 1062 HG3 ARG 148 HG3 ARG 148 5.528 -11.182 7.484 1063 HD2 ARG 148 HD2 ARG 148 8.143 -10.022 6.531 1064 HD3 ARG 148 HD3 ARG 148 7.968 -11.549 7.398 1065 HE ARG 148 HE ARG 148 6.282 -11.662 5.182 1066 HH11 ARG 148 HH11 ARG 148 9.725 -11.395 5.807 1067 HH12 ARG 148 HH12 ARG 148 10.176 -12.234 4.354 1068 HH21 ARG 148 HH21 ARG 148 6.847 -12.772 3.322 1069 HH22 ARG 148 HH22 ARG 148 8.524 -13.053 2.940 1070 H THR 149 H THR 149 3.196 -6.771 7.977 1071 HA THR 149 HA THR 149 2.461 -5.641 5.371 1072 HB THR 149 HB THR 149 1.733 -4.679 8.151 1073 HG1 THR 149 HG1 THR 149 0.890 -6.810 7.393 1074 HG21 THR 149 HG21 THR 149 1.624 -2.914 6.460 1075 HG22 THR 149 HG22 THR 149 0.006 -3.378 6.985 1076 HG23 THR 149 HG23 THR 149 0.626 -3.945 5.436 1077 H ARG 150 H ARG 150 3.999 -4.459 4.469 1078 HA ARG 150 HA ARG 150 5.890 -2.989 6.119 1079 HB2 ARG 150 HB2 ARG 150 5.706 -3.198 3.104 1080 HB3 ARG 150 HB3 ARG 150 7.027 -2.470 4.009 1081 HG2 ARG 150 HG2 ARG 150 7.495 -4.667 5.033 1082 HG3 ARG 150 HG3 ARG 150 6.223 -5.372 4.036 1083 HD2 ARG 150 HD2 ARG 150 8.451 -5.735 3.075 1084 HD3 ARG 150 HD3 ARG 150 7.428 -4.760 2.020 1085 HE ARG 150 HE ARG 150 8.698 -2.833 2.655 1086 HH11 ARG 150 HH11 ARG 150 10.065 -5.906 3.638 1087 HH12 ARG 150 HH12 ARG 150 11.646 -5.245 3.919 1088 HH21 ARG 150 HH21 ARG 150 10.776 -1.983 2.996 1089 HH22 ARG 150 HH22 ARG 150 12.057 -3.021 3.559 1090 H VAL 151 H VAL 151 4.859 -1.299 7.004 1091 HA VAL 151 HA VAL 151 3.237 0.402 5.245 1092 HB VAL 151 HB VAL 151 1.862 -0.464 6.959 1093 HG11 VAL 151 HG11 VAL 151 3.583 -1.255 8.471 1094 HG12 VAL 151 HG12 VAL 151 2.384 -0.299 9.343 1095 HG13 VAL 151 HG13 VAL 151 3.953 0.402 8.947 1096 HG21 VAL 151 HG21 VAL 151 2.691 2.326 7.752 1097 HG22 VAL 151 HG22 VAL 151 1.193 1.528 8.229 1098 HG23 VAL 151 HG23 VAL 151 1.495 1.896 6.532 1099 H SER 152 H SER 152 3.866 2.379 4.822 1100 HA SER 152 HA SER 152 5.959 3.627 6.483 1101 HB2 SER 152 HB2 SER 152 5.366 4.232 3.577 1102 HB3 SER 152 HB3 SER 152 6.775 4.728 4.514 1103 HG SER 152 HG SER 152 6.095 2.046 3.884 1104 H LEU 153 H LEU 153 5.573 5.707 7.227 1105 HA LEU 153 HA LEU 153 2.957 6.867 6.532 1106 HB2 LEU 153 HB2 LEU 153 3.990 6.389 9.319 1107 HB3 LEU 153 HB3 LEU 153 2.547 7.304 8.934 1108 HG LEU 153 HG LEU 153 2.901 4.391 8.228 1109 HD11 LEU 153 HD11 LEU 153 2.980 4.664 10.649 1110 HD12 LEU 153 HD12 LEU 153 1.469 3.909 10.143 1111 HD13 LEU 153 HD13 LEU 153 1.494 5.613 10.598 1112 HD21 LEU 153 HD21 LEU 153 0.456 4.470 7.984 1113 HD22 LEU 153 HD22 LEU 153 1.271 5.561 6.866 1114 HD23 LEU 153 HD23 LEU 153 0.490 6.202 8.311 1115 H MET 154 H MET 154 2.910 8.911 8.343 1116 HA MET 154 HA MET 154 4.428 10.864 7.003 1117 HB2 MET 154 HB2 MET 154 2.960 11.027 9.641 1118 HB3 MET 154 HB3 MET 154 3.630 12.407 8.792 1119 HG2 MET 154 HG2 MET 154 1.361 12.444 8.292 1120 HG3 MET 154 HG3 MET 154 2.117 11.756 6.859 1121 HE1 MET 154 HE1 MET 154 2.075 9.164 6.270 1122 HE2 MET 154 HE2 MET 154 0.733 10.127 5.649 1123 HE3 MET 154 HE3 MET 154 0.430 8.527 6.323 1124 H LEU 155 H LEU 155 6.366 11.701 7.386 1125 HA LEU 155 HA LEU 155 8.016 10.776 9.521 1126 HB2 LEU 155 HB2 LEU 155 8.308 12.868 7.401 1127 HB3 LEU 155 HB3 LEU 155 9.464 12.783 8.708 1128 HG LEU 155 HG LEU 155 10.276 11.653 6.686 1129 HD11 LEU 155 HD11 LEU 155 9.701 9.777 8.967 1130 HD12 LEU 155 HD12 LEU 155 11.062 10.892 8.847 1131 HD13 LEU 155 HD13 LEU 155 10.927 9.541 7.721 1132 HD21 LEU 155 HD21 LEU 155 8.179 10.911 5.733 1133 HD22 LEU 155 HD22 LEU 155 7.922 9.816 7.091 1134 HD23 LEU 155 HD23 LEU 155 9.255 9.534 5.971 1135 H HIS 156 H HIS 156 7.303 11.254 11.438 1136 HA HIS 156 HA HIS 156 6.731 12.243 13.320 1137 HB2 HIS 156 HB2 HIS 156 7.828 14.167 14.012 1138 HB3 HIS 156 HB3 HIS 156 8.919 13.390 12.896 1139 HD1 HIS 156 HD1 HIS 156 6.552 16.358 13.037 1140 HD2 HIS 156 HD2 HIS 156 9.864 15.002 10.929 1141 HE1 HIS 156 HE1 HIS 156 7.300 18.301 11.636 1142 HE2 HIS 156 HE2 HIS 156 9.400 17.511 10.487 1143 H GLU 157 H GLU 157 5.468 13.870 14.434 1144 HA GLU 157 HA GLU 157 3.502 14.890 14.795 1145 HB2 GLU 157 HB2 GLU 157 3.998 15.868 11.999 1146 HB3 GLU 157 HB3 GLU 157 2.549 16.314 12.895 1147 HG2 GLU 157 HG2 GLU 157 3.978 17.209 14.694 1148 HG3 GLU 157 HG3 GLU 157 5.397 16.840 13.718 1149 H SER 158 H SER 158 3.672 12.153 13.641 1150 HA SER 158 HA SER 158 1.088 11.794 12.414 1151 HB2 SER 158 HB2 SER 158 1.646 9.327 12.888 1152 HB3 SER 158 HB3 SER 158 2.715 10.186 11.777 1153 HG SER 158 HG SER 158 3.236 9.973 14.552 1154 H LEU 159 H LEU 159 -0.750 11.825 13.522 1155 HA LEU 159 HA LEU 159 -0.716 12.201 16.341 1156 HB2 LEU 159 HB2 LEU 159 -3.028 11.898 14.426 1157 HB3 LEU 159 HB3 LEU 159 -3.203 12.296 16.121 1158 HG LEU 159 HG LEU 159 -3.416 14.337 14.999 1159 HD11 LEU 159 HD11 LEU 159 -1.499 15.650 15.697 1160 HD12 LEU 159 HD12 LEU 159 -0.537 14.181 15.863 1161 HD13 LEU 159 HD13 LEU 159 -1.919 14.453 16.922 1162 HD21 LEU 159 HD21 LEU 159 -2.609 13.603 12.807 1163 HD22 LEU 159 HD22 LEU 159 -0.948 13.670 13.397 1164 HD23 LEU 159 HD23 LEU 159 -1.901 15.150 13.276 1165 H GLU 160 H GLU 160 0.064 10.335 17.272 1166 HA GLU 160 HA GLU 160 -1.872 8.609 18.269 1167 HB2 GLU 160 HB2 GLU 160 -1.795 7.567 16.017 1168 HB3 GLU 160 HB3 GLU 160 -0.077 7.257 16.238 1169 HG2 GLU 160 HG2 GLU 160 -1.478 5.278 16.661 1170 HG3 GLU 160 HG3 GLU 160 -0.529 5.762 18.067 1171 H HIS 161 H HIS 161 -1.117 8.168 20.240 1172 HA HIS 161 HA HIS 161 1.595 7.243 20.592 1173 HB2 HIS 161 HB2 HIS 161 0.923 10.014 21.060 1174 HB3 HIS 161 HB3 HIS 161 1.481 9.245 22.543 1175 HD1 HIS 161 HD1 HIS 161 2.694 10.792 19.492 1176 HD2 HIS 161 HD2 HIS 161 4.093 7.938 22.175 1177 HE1 HIS 161 HE1 HIS 161 5.177 10.666 19.119 1178 HE2 HIS 161 HE2 HIS 161 5.945 8.742 20.562 1179 H HIS 162 H HIS 162 -1.331 6.477 21.197 1180 HA HIS 162 HA HIS 162 -1.065 6.144 24.097 1181 HB2 HIS 162 HB2 HIS 162 -3.338 5.635 24.227 1182 HB3 HIS 162 HB3 HIS 162 -3.272 6.852 22.966 1183 HD1 HIS 162 HD1 HIS 162 -3.609 5.943 20.461 1184 HD2 HIS 162 HD2 HIS 162 -4.433 3.236 23.512 1185 HE1 HIS 162 HE1 HIS 162 -5.045 4.163 19.422 1186 HE2 HIS 162 HE2 HIS 162 -5.342 2.431 21.226 1187 H HIS 163 H HIS 163 0.437 4.773 21.859 1188 HA HIS 163 HA HIS 163 -0.190 2.031 21.839 1189 HB2 HIS 163 HB2 HIS 163 1.292 3.096 20.182 1190 HB3 HIS 163 HB3 HIS 163 2.486 3.391 21.439 1191 HD1 HIS 163 HD1 HIS 163 4.388 1.880 20.949 1192 HD2 HIS 163 HD2 HIS 163 0.708 -0.019 20.471 1193 HE1 HIS 163 HE1 HIS 163 4.921 -0.535 20.437 1194 HE2 HIS 163 HE2 HIS 163 2.674 -1.689 20.292 1195 H HIS 164 H HIS 164 0.274 0.407 23.199 1196 HA HIS 164 HA HIS 164 1.459 1.098 25.778 1197 HB2 HIS 164 HB2 HIS 164 0.091 -1.442 24.863 1198 HB3 HIS 164 HB3 HIS 164 0.604 -1.091 26.509 1199 HD1 HIS 164 HD1 HIS 164 -2.335 -1.184 24.620 1200 HD2 HIS 164 HD2 HIS 164 -0.751 1.571 27.305 1201 HE1 HIS 164 HE1 HIS 164 -4.287 0.190 25.419 1202 HE2 HIS 164 HE2 HIS 164 -3.333 1.733 27.172 1203 H HIS 165 H HIS 165 2.860 -0.623 26.798 1204 HA HIS 165 HA HIS 165 4.650 -1.822 24.784 1205 HB2 HIS 165 HB2 HIS 165 6.458 -1.709 26.471 1206 HB3 HIS 165 HB3 HIS 165 5.854 -0.122 26.022 1207 HD1 HIS 165 HD1 HIS 165 6.635 -2.175 28.895 1208 HD2 HIS 165 HD2 HIS 165 4.068 1.001 28.086 1209 HE1 HIS 165 HE1 HIS 165 6.014 -1.207 31.138 1210 HE2 HIS 165 HE2 HIS 165 4.474 0.726 30.628 1211 H HIS 166 H HIS 166 2.450 -2.365 27.234 1212 HA HIS 166 HA HIS 166 2.605 -5.189 26.834 1213 HB2 HIS 166 HB2 HIS 166 4.301 -4.825 28.672 1214 HB3 HIS 166 HB3 HIS 166 2.996 -4.187 29.671 1215 HD1 HIS 166 HD1 HIS 166 4.811 -7.183 29.196 1216 HD2 HIS 166 HD2 HIS 166 0.777 -6.315 29.752 1217 HE1 HIS 166 HE1 HIS 166 3.752 -9.326 29.982 1218 HE2 HIS 166 HE2 HIS 166 1.279 -8.834 30.079 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -3.906 -2.600 23.353 2 H2 MET 1 H2 MET 1 -3.607 -1.770 21.901 3 H3 MET 1 H3 MET 1 -4.772 -2.995 21.954 4 HA MET 1 HA MET 1 -5.745 -0.770 21.928 5 HB2 MET 1 HB2 MET 1 -6.902 -2.720 22.958 6 HB3 MET 1 HB3 MET 1 -6.203 -2.284 24.509 7 HG2 MET 1 HG2 MET 1 -7.415 -0.185 24.497 8 HG3 MET 1 HG3 MET 1 -8.070 -0.550 22.903 9 HE1 MET 1 HE1 MET 1 -9.850 -2.427 22.417 10 HE2 MET 1 HE2 MET 1 -10.423 -3.576 23.628 11 HE3 MET 1 HE3 MET 1 -8.744 -3.626 23.089 12 H ASP 2 H ASP 2 -3.075 -1.096 23.990 13 HA ASP 2 HA ASP 2 -3.782 1.059 25.749 14 HB2 ASP 2 HB2 ASP 2 -1.433 0.863 26.595 15 HB3 ASP 2 HB3 ASP 2 -2.375 -0.615 26.701 16 H PHE 3 H PHE 3 -0.695 1.003 23.967 17 HA PHE 3 HA PHE 3 -1.214 3.120 22.217 18 HB2 PHE 3 HB2 PHE 3 -1.605 4.458 24.240 19 HB3 PHE 3 HB3 PHE 3 -0.022 4.005 24.858 20 HD1 PHE 3 HD2 PHE 3 -1.666 5.731 22.009 21 HD2 PHE 3 HD1 PHE 3 1.824 5.338 24.414 22 HE1 PHE 3 HE2 PHE 3 -0.680 7.693 20.898 23 HE2 PHE 3 HE1 PHE 3 2.813 7.297 23.309 24 HZ PHE 3 HZ PHE 3 1.561 8.478 21.548 25 H GLU 4 H GLU 4 1.148 1.584 24.346 26 HA GLU 4 HA GLU 4 3.307 2.598 22.657 27 HB2 GLU 4 HB2 GLU 4 3.383 1.277 25.370 28 HB3 GLU 4 HB3 GLU 4 4.802 1.826 24.484 29 HG2 GLU 4 HG2 GLU 4 3.960 4.115 24.537 30 HG3 GLU 4 HG3 GLU 4 2.532 3.572 25.414 31 H CYS 5 H CYS 5 3.104 1.264 20.885 32 HA CYS 5 HA CYS 5 4.264 -1.404 21.336 33 HB2 CYS 5 HB2 CYS 5 2.313 -0.644 19.147 34 HB3 CYS 5 HB3 CYS 5 3.064 -2.221 19.357 35 HG CYS 5 HG CYS 5 1.738 -1.882 22.178 36 H GLN 6 H GLN 6 6.341 -0.531 21.074 37 HA GLN 6 HA GLN 6 6.900 1.107 18.754 38 HB2 GLN 6 HB2 GLN 6 8.732 0.132 20.953 39 HB3 GLN 6 HB3 GLN 6 9.159 1.300 19.708 40 HG2 GLN 6 HG2 GLN 6 7.482 2.843 20.565 41 HG3 GLN 6 HG3 GLN 6 7.020 1.668 21.798 42 HE21 GLN 6 HE21 GLN 6 9.401 3.970 20.775 43 HE22 GLN 6 HE22 GLN 6 10.308 3.990 22.247 44 H PHE 7 H PHE 7 6.861 -0.108 16.950 45 HA PHE 7 HA PHE 7 8.563 -2.480 16.812 46 HB2 PHE 7 HB2 PHE 7 6.535 -1.327 14.896 47 HB3 PHE 7 HB3 PHE 7 7.577 -2.683 14.484 48 HD1 PHE 7 HD1 PHE 7 7.252 -4.855 15.507 49 HD2 PHE 7 HD2 PHE 7 4.724 -1.570 16.473 50 HE1 PHE 7 HE1 PHE 7 5.637 -6.401 16.535 51 HE2 PHE 7 HE2 PHE 7 3.106 -3.111 17.499 52 HZ PHE 7 HZ PHE 7 3.561 -5.530 17.532 53 H VAL 8 H VAL 8 10.370 -2.589 15.551 54 HA VAL 8 HA VAL 8 11.833 -0.225 15.205 55 HB VAL 8 HB VAL 8 12.899 -2.385 15.607 56 HG11 VAL 8 HG11 VAL 8 13.174 -4.014 13.778 57 HG12 VAL 8 HG12 VAL 8 12.045 -3.076 12.800 58 HG13 VAL 8 HG13 VAL 8 11.495 -3.844 14.290 59 HG21 VAL 8 HG21 VAL 8 14.224 -0.595 14.634 60 HG22 VAL 8 HG22 VAL 8 13.762 -1.117 13.012 61 HG23 VAL 8 HG23 VAL 8 14.753 -2.165 14.027 62 H CYS 9 H CYS 9 12.175 1.095 13.528 63 HA CYS 9 HA CYS 9 10.449 0.690 11.191 64 HB2 CYS 9 HB2 CYS 9 11.733 3.269 12.101 65 HB3 CYS 9 HB3 CYS 9 10.392 3.069 10.973 66 HG CYS 9 HG CYS 9 9.719 1.769 13.967 67 H GLU 10 H GLU 10 11.252 0.842 9.116 68 HA GLU 10 HA GLU 10 14.193 0.953 8.892 69 HB2 GLU 10 HB2 GLU 10 12.252 -0.501 7.083 70 HB3 GLU 10 HB3 GLU 10 13.999 -0.487 6.923 71 HG2 GLU 10 HG2 GLU 10 14.112 -1.611 9.161 72 HG3 GLU 10 HG3 GLU 10 12.358 -1.786 9.074 73 H LEU 11 H LEU 11 15.086 2.002 7.098 74 HA LEU 11 HA LEU 11 13.381 3.838 5.636 75 HB2 LEU 11 HB2 LEU 11 15.640 4.529 6.390 76 HB3 LEU 11 HB3 LEU 11 16.350 3.270 5.407 77 HG LEU 11 HG LEU 11 16.483 5.640 4.512 78 HD11 LEU 11 HD11 LEU 11 15.216 3.530 2.783 79 HD12 LEU 11 HD12 LEU 11 16.940 3.750 3.085 80 HD13 LEU 11 HD13 LEU 11 16.035 4.975 2.194 81 HD21 LEU 11 HD21 LEU 11 13.562 5.153 3.962 82 HD22 LEU 11 HD22 LEU 11 14.524 6.478 3.306 83 HD23 LEU 11 HD23 LEU 11 14.233 6.374 5.043 84 H LYS 12 H LYS 12 12.279 3.112 3.957 85 HA LYS 12 HA LYS 12 13.407 0.866 2.406 86 HB2 LYS 12 HB2 LYS 12 11.043 0.857 3.880 87 HB3 LYS 12 HB3 LYS 12 10.509 1.143 2.233 88 HG2 LYS 12 HG2 LYS 12 10.459 -1.203 2.614 89 HG3 LYS 12 HG3 LYS 12 11.819 -0.868 1.539 90 HD2 LYS 12 HD2 LYS 12 13.358 -0.997 3.427 91 HD3 LYS 12 HD3 LYS 12 12.007 -1.281 4.525 92 HE2 LYS 12 HE2 LYS 12 11.477 -3.352 3.286 93 HE3 LYS 12 HE3 LYS 12 12.886 -3.076 2.264 94 HZ1 LYS 12 HZ1 LYS 12 13.370 -4.649 4.027 95 HZ2 LYS 12 HZ2 LYS 12 12.938 -3.505 5.210 96 HZ3 LYS 12 HZ3 LYS 12 14.291 -3.238 4.225 97 H GLU 13 H GLU 13 13.146 0.961 0.152 98 HA GLU 13 HA GLU 13 12.176 3.561 -0.809 99 HB2 GLU 13 HB2 GLU 13 13.679 3.332 -2.715 100 HB3 GLU 13 HB3 GLU 13 14.557 3.298 -1.196 101 HG2 GLU 13 HG2 GLU 13 14.755 0.875 -1.358 102 HG3 GLU 13 HG3 GLU 13 13.864 0.903 -2.881 103 H LEU 14 H LEU 14 10.619 3.638 -2.250 104 HA LEU 14 HA LEU 14 9.157 1.238 -2.810 105 HB2 LEU 14 HB2 LEU 14 8.502 3.886 -2.547 106 HB3 LEU 14 HB3 LEU 14 8.432 3.678 -4.285 107 HG LEU 14 HG LEU 14 6.234 3.379 -3.246 108 HD11 LEU 14 HD11 LEU 14 6.720 2.174 -5.299 109 HD12 LEU 14 HD12 LEU 14 5.655 1.235 -4.252 110 HD13 LEU 14 HD13 LEU 14 7.367 0.824 -4.365 111 HD21 LEU 14 HD21 LEU 14 7.536 1.073 -1.808 112 HD22 LEU 14 HD22 LEU 14 5.808 1.424 -1.825 113 HD23 LEU 14 HD23 LEU 14 6.932 2.560 -1.077 114 H ALA 15 H ALA 15 9.416 -0.038 -4.507 115 HA ALA 15 HA ALA 15 11.143 0.764 -6.694 116 HB1 ALA 15 HB1 ALA 15 10.945 -1.573 -7.411 117 HB2 ALA 15 HB2 ALA 15 9.758 -1.861 -6.137 118 HB3 ALA 15 HB3 ALA 15 11.422 -1.458 -5.717 119 HA PRO 16 HA PRO 16 7.790 1.754 -9.454 120 HB2 PRO 16 HB2 PRO 16 9.466 0.797 -11.668 121 HB3 PRO 16 HB3 PRO 16 8.875 2.428 -11.340 122 HG2 PRO 16 HG2 PRO 16 11.474 1.769 -11.057 123 HG3 PRO 16 HG3 PRO 16 10.681 2.957 -10.005 124 HD2 PRO 16 HD2 PRO 16 11.335 0.085 -9.463 125 HD3 PRO 16 HD3 PRO 16 11.490 1.498 -8.396 126 H VAL 17 H VAL 17 6.238 0.250 -9.044 127 HA VAL 17 HA VAL 17 6.455 -2.320 -10.479 128 HB VAL 17 HB VAL 17 4.946 -1.730 -7.915 129 HG11 VAL 17 HG11 VAL 17 4.569 -4.133 -7.791 130 HG12 VAL 17 HG12 VAL 17 5.377 -4.347 -9.343 131 HG13 VAL 17 HG13 VAL 17 3.861 -3.451 -9.256 132 HG21 VAL 17 HG21 VAL 17 7.479 -3.312 -8.336 133 HG22 VAL 17 HG22 VAL 17 6.596 -3.159 -6.816 134 HG23 VAL 17 HG23 VAL 17 7.351 -1.741 -7.543 135 HA PRO 18 HA PRO 18 2.677 -0.993 -12.520 136 HB2 PRO 18 HB2 PRO 18 2.238 -3.813 -13.177 137 HB3 PRO 18 HB3 PRO 18 2.572 -2.456 -14.254 138 HG2 PRO 18 HG2 PRO 18 4.373 -4.422 -13.802 139 HG3 PRO 18 HG3 PRO 18 4.849 -2.746 -14.134 140 HD2 PRO 18 HD2 PRO 18 4.702 -4.189 -11.512 141 HD3 PRO 18 HD3 PRO 18 5.939 -3.063 -12.111 142 H ALA 19 H ALA 19 1.211 -0.463 -10.987 143 HA ALA 19 HA ALA 19 -0.166 -2.672 -9.593 144 HB1 ALA 19 HB1 ALA 19 1.162 -1.291 -8.070 145 HB2 ALA 19 HB2 ALA 19 -0.564 -1.133 -7.742 146 HB3 ALA 19 HB3 ALA 19 0.292 0.143 -8.609 147 H LEU 20 H LEU 20 -2.403 -2.468 -9.280 148 HA LEU 20 HA LEU 20 -3.761 -0.342 -10.788 149 HB2 LEU 20 HB2 LEU 20 -3.681 -2.399 -12.161 150 HB3 LEU 20 HB3 LEU 20 -4.451 -3.287 -10.864 151 HG LEU 20 HG LEU 20 -5.881 -0.923 -11.997 152 HD11 LEU 20 HD11 LEU 20 -6.834 -2.293 -13.760 153 HD12 LEU 20 HD12 LEU 20 -5.794 -3.642 -13.299 154 HD13 LEU 20 HD13 LEU 20 -5.087 -2.166 -13.958 155 HD21 LEU 20 HD21 LEU 20 -6.828 -2.112 -10.087 156 HD22 LEU 20 HD22 LEU 20 -6.773 -3.625 -10.989 157 HD23 LEU 20 HD23 LEU 20 -7.837 -2.321 -11.518 158 H LEU 21 H LEU 21 -5.624 0.414 -9.839 159 HA LEU 21 HA LEU 21 -6.835 -0.968 -7.649 160 HB2 LEU 21 HB2 LEU 21 -6.424 0.820 -5.958 161 HB3 LEU 21 HB3 LEU 21 -5.042 -0.174 -6.339 162 HG LEU 21 HG LEU 21 -4.462 2.187 -5.953 163 HD11 LEU 21 HD11 LEU 21 -3.040 2.530 -7.891 164 HD12 LEU 21 HD12 LEU 21 -3.944 1.303 -8.779 165 HD13 LEU 21 HD13 LEU 21 -3.009 0.850 -7.354 166 HD21 LEU 21 HD21 LEU 21 -5.017 3.912 -7.567 167 HD22 LEU 21 HD22 LEU 21 -6.469 3.255 -6.813 168 HD23 LEU 21 HD23 LEU 21 -6.032 2.773 -8.451 169 H ILE 22 H ILE 22 -8.592 0.250 -6.653 170 HA ILE 22 HA ILE 22 -9.826 2.196 -8.452 171 HB ILE 22 HB ILE 22 -10.925 0.968 -5.905 172 HG12 ILE 22 HG12 ILE 22 -10.592 -0.750 -7.618 173 HG13 ILE 22 HG13 ILE 22 -12.305 -0.448 -7.350 174 HG21 ILE 22 HG21 ILE 22 -12.299 2.546 -8.075 175 HG22 ILE 22 HG22 ILE 22 -11.935 3.108 -6.444 176 HG23 ILE 22 HG23 ILE 22 -13.090 1.798 -6.685 177 HD11 ILE 22 HD11 ILE 22 -12.388 0.904 -9.363 178 HD12 ILE 22 HD12 ILE 22 -11.797 -0.722 -9.703 179 HD13 ILE 22 HD13 ILE 22 -10.666 0.629 -9.625 180 H ARG 23 H ARG 23 -9.398 4.324 -8.035 181 HA ARG 23 HA ARG 23 -8.324 5.015 -5.447 182 HB2 ARG 23 HB2 ARG 23 -8.068 7.280 -6.312 183 HB3 ARG 23 HB3 ARG 23 -7.381 6.103 -7.415 184 HG2 ARG 23 HG2 ARG 23 -9.306 6.317 -8.880 185 HG3 ARG 23 HG3 ARG 23 -10.047 7.461 -7.753 186 HD2 ARG 23 HD2 ARG 23 -7.964 8.866 -8.023 187 HD3 ARG 23 HD3 ARG 23 -7.524 7.802 -9.356 188 HE ARG 23 HE ARG 23 -10.063 8.648 -9.942 189 HH11 ARG 23 HH11 ARG 23 -6.994 10.182 -9.300 190 HH12 ARG 23 HH12 ARG 23 -7.329 11.580 -10.269 191 HH21 ARG 23 HH21 ARG 23 -10.543 10.492 -11.201 192 HH22 ARG 23 HH22 ARG 23 -9.376 11.778 -11.327 193 H THR 24 H THR 24 -9.666 5.015 -3.853 194 HA THR 24 HA THR 24 -12.438 5.881 -4.294 195 HB THR 24 HB THR 24 -12.445 4.487 -1.924 196 HG1 THR 24 HG1 THR 24 -10.417 3.486 -3.624 197 HG21 THR 24 HG21 THR 24 -14.071 4.246 -3.720 198 HG22 THR 24 HG22 THR 24 -13.467 2.668 -3.216 199 HG23 THR 24 HG23 THR 24 -12.875 3.403 -4.706 200 H GLN 25 H GLN 25 -13.512 6.722 -2.291 201 HA GLN 25 HA GLN 25 -11.678 8.119 -0.485 202 HB2 GLN 25 HB2 GLN 25 -13.101 10.169 -0.675 203 HB3 GLN 25 HB3 GLN 25 -12.172 9.795 -2.120 204 HG2 GLN 25 HG2 GLN 25 -14.200 8.755 -3.098 205 HG3 GLN 25 HG3 GLN 25 -15.104 9.283 -1.680 206 HE21 GLN 25 HE21 GLN 25 -15.424 9.974 -4.516 207 HE22 GLN 25 HE22 GLN 25 -15.305 11.703 -4.595 208 H THR 26 H THR 26 -12.567 8.578 1.559 209 HA THR 26 HA THR 26 -15.212 7.545 2.151 210 HB THR 26 HB THR 26 -13.883 5.500 2.167 211 HG1 THR 26 HG1 THR 26 -15.434 5.401 3.736 212 HG21 THR 26 HG21 THR 26 -11.680 6.472 2.595 213 HG22 THR 26 HG22 THR 26 -12.038 5.171 3.728 214 HG23 THR 26 HG23 THR 26 -12.165 6.850 4.250 215 H ALA 27 H ALA 27 -15.307 7.493 4.762 216 HA ALA 27 HA ALA 27 -14.699 10.243 5.506 217 HB1 ALA 27 HB1 ALA 27 -16.333 8.145 6.938 218 HB2 ALA 27 HB2 ALA 27 -16.966 9.390 5.861 219 HB3 ALA 27 HB3 ALA 27 -16.206 9.848 7.385 220 H MET 28 H MET 28 -14.388 10.221 8.164 221 HA MET 28 HA MET 28 -11.710 9.230 8.458 222 HB2 MET 28 HB2 MET 28 -12.382 11.392 9.416 223 HB3 MET 28 HB3 MET 28 -13.531 10.578 10.467 224 HG2 MET 28 HG2 MET 28 -11.785 9.533 11.699 225 HG3 MET 28 HG3 MET 28 -10.571 10.063 10.537 226 HE1 MET 28 HE1 MET 28 -13.575 12.249 11.839 227 HE2 MET 28 HE2 MET 28 -12.871 12.979 13.283 228 HE3 MET 28 HE3 MET 28 -13.177 11.242 13.230 229 H SER 29 H SER 29 -11.576 7.097 8.561 230 HA SER 29 HA SER 29 -11.648 4.989 9.359 231 HB2 SER 29 HB2 SER 29 -11.452 6.047 11.624 232 HB3 SER 29 HB3 SER 29 -13.213 6.045 11.724 233 HG SER 29 HG SER 29 -12.103 4.206 12.711 234 H GLU 30 H GLU 30 -13.025 4.858 7.435 235 HA GLU 30 HA GLU 30 -15.486 3.476 8.152 236 HB2 GLU 30 HB2 GLU 30 -16.031 5.883 7.556 237 HB3 GLU 30 HB3 GLU 30 -15.437 5.543 5.941 238 HG2 GLU 30 HG2 GLU 30 -17.578 3.809 7.062 239 HG3 GLU 30 HG3 GLU 30 -17.996 5.434 6.529 240 H LEU 31 H LEU 31 -12.612 3.610 6.585 241 HA LEU 31 HA LEU 31 -13.111 2.688 4.008 242 HB2 LEU 31 HB2 LEU 31 -10.692 1.925 4.106 243 HB3 LEU 31 HB3 LEU 31 -11.015 3.625 4.362 244 HG LEU 31 HG LEU 31 -10.883 3.085 6.874 245 HD11 LEU 31 HD11 LEU 31 -9.518 1.169 7.477 246 HD12 LEU 31 HD12 LEU 31 -9.473 0.651 5.792 247 HD13 LEU 31 HD13 LEU 31 -11.000 0.650 6.676 248 HD21 LEU 31 HD21 LEU 31 -9.208 4.369 5.657 249 HD22 LEU 31 HD22 LEU 31 -8.418 2.874 5.154 250 HD23 LEU 31 HD23 LEU 31 -8.458 3.319 6.860 251 H GLY 32 H GLY 32 -13.364 0.968 6.942 252 HA2 GLY 32 HA2 GLY 32 -12.579 -1.612 6.231 253 HA3 GLY 32 HA3 GLY 32 -13.840 -1.232 7.395 254 H SER 33 H SER 33 -15.724 -0.026 5.773 255 HA SER 33 HA SER 33 -16.882 -2.312 4.497 256 HB2 SER 33 HB2 SER 33 -18.389 -0.032 3.841 257 HB3 SER 33 HB3 SER 33 -18.699 -1.172 5.152 258 HG SER 33 HG SER 33 -17.703 1.405 5.241 259 H LEU 34 H LEU 34 -15.163 0.524 3.467 260 HA LEU 34 HA LEU 34 -16.031 0.481 0.754 261 HB2 LEU 34 HB2 LEU 34 -15.220 2.497 1.971 262 HB3 LEU 34 HB3 LEU 34 -13.603 1.821 1.939 263 HG LEU 34 HG LEU 34 -13.599 1.921 -0.514 264 HD11 LEU 34 HD11 LEU 34 -15.385 3.112 -1.693 265 HD12 LEU 34 HD12 LEU 34 -16.301 3.226 -0.189 266 HD13 LEU 34 HD13 LEU 34 -15.987 1.649 -0.914 267 HD21 LEU 34 HD21 LEU 34 -13.504 4.357 -0.725 268 HD22 LEU 34 HD22 LEU 34 -12.728 3.800 0.759 269 HD23 LEU 34 HD23 LEU 34 -14.337 4.520 0.822 270 H PHE 35 H PHE 35 -13.213 -0.793 2.473 271 HA PHE 35 HA PHE 35 -11.676 -1.507 0.241 272 HB2 PHE 35 HB2 PHE 35 -11.772 -2.337 3.089 273 HB3 PHE 35 HB3 PHE 35 -10.922 -3.402 1.975 274 HD1 PHE 35 HD2 PHE 35 -11.153 0.292 2.538 275 HD2 PHE 35 HD1 PHE 35 -8.666 -3.103 1.925 276 HE1 PHE 35 HE2 PHE 35 -9.165 1.732 2.664 277 HE2 PHE 35 HE1 PHE 35 -6.671 -1.668 2.049 278 HZ PHE 35 HZ PHE 35 -6.919 0.753 2.421 279 H GLU 36 H GLU 36 -14.236 -3.263 1.920 280 HA GLU 36 HA GLU 36 -13.991 -5.694 0.525 281 HB2 GLU 36 HB2 GLU 36 -15.306 -5.463 2.580 282 HB3 GLU 36 HB3 GLU 36 -16.431 -4.395 1.762 283 HG2 GLU 36 HG2 GLU 36 -16.045 -7.110 0.632 284 HG3 GLU 36 HG3 GLU 36 -16.927 -6.963 2.151 285 H ALA 37 H ALA 37 -15.891 -2.786 -0.118 286 HA ALA 37 HA ALA 37 -17.189 -3.706 -2.444 287 HB1 ALA 37 HB1 ALA 37 -17.956 -1.757 -1.194 288 HB2 ALA 37 HB2 ALA 37 -17.655 -1.342 -2.881 289 HB3 ALA 37 HB3 ALA 37 -16.491 -0.883 -1.638 290 H GLY 38 H GLY 38 -14.158 -1.948 -1.941 291 HA2 GLY 38 HA2 GLY 38 -13.555 -1.465 -4.647 292 HA3 GLY 38 HA3 GLY 38 -12.388 -1.514 -3.334 293 H TYR 39 H TYR 39 -12.807 -4.223 -2.564 294 HA TYR 39 HA TYR 39 -11.064 -5.538 -4.348 295 HB2 TYR 39 HB2 TYR 39 -11.346 -6.071 -1.912 296 HB3 TYR 39 HB3 TYR 39 -12.886 -6.825 -2.304 297 HD1 TYR 39 HD1 TYR 39 -9.233 -7.038 -2.900 298 HD2 TYR 39 HD2 TYR 39 -12.976 -9.051 -3.080 299 HE1 TYR 39 HE1 TYR 39 -8.064 -9.154 -3.338 300 HE2 TYR 39 HE2 TYR 39 -11.817 -11.175 -3.520 301 HH TYR 39 HH TYR 39 -9.651 -11.948 -4.418 302 H HIS 40 H HIS 40 -14.567 -5.733 -3.887 303 HA HIS 40 HA HIS 40 -14.961 -7.710 -5.907 304 HB2 HIS 40 HB2 HIS 40 -16.819 -5.887 -4.400 305 HB3 HIS 40 HB3 HIS 40 -17.405 -6.896 -5.718 306 HD1 HIS 40 HD1 HIS 40 -17.124 -6.961 -2.172 307 HD2 HIS 40 HD2 HIS 40 -16.544 -9.760 -5.204 308 HE1 HIS 40 HE1 HIS 40 -17.254 -9.213 -1.060 309 HE2 HIS 40 HE2 HIS 40 -16.766 -10.885 -2.880 310 H ASP 41 H ASP 41 -14.772 -4.250 -5.890 311 HA ASP 41 HA ASP 41 -16.251 -3.655 -8.192 312 HB2 ASP 41 HB2 ASP 41 -15.333 -2.082 -6.376 313 HB3 ASP 41 HB3 ASP 41 -13.842 -2.079 -7.313 314 H ILE 42 H ILE 42 -12.896 -4.652 -7.820 315 HA ILE 42 HA ILE 42 -12.262 -4.036 -10.584 316 HB ILE 42 HB ILE 42 -10.025 -4.962 -10.071 317 HG12 ILE 42 HG12 ILE 42 -11.151 -5.344 -7.286 318 HG13 ILE 42 HG13 ILE 42 -10.744 -6.638 -8.406 319 HG21 ILE 42 HG21 ILE 42 -9.360 -3.204 -8.495 320 HG22 ILE 42 HG22 ILE 42 -11.058 -2.927 -8.102 321 HG23 ILE 42 HG23 ILE 42 -10.464 -2.605 -9.732 322 HD11 ILE 42 HD11 ILE 42 -8.403 -5.980 -8.330 323 HD12 ILE 42 HD12 ILE 42 -9.022 -6.340 -6.717 324 HD13 ILE 42 HD13 ILE 42 -8.804 -4.665 -7.225 325 H LEU 43 H LEU 43 -14.051 -6.400 -9.385 326 HA LEU 43 HA LEU 43 -12.935 -8.835 -10.097 327 HB2 LEU 43 HB2 LEU 43 -15.012 -8.597 -8.828 328 HB3 LEU 43 HB3 LEU 43 -15.827 -7.991 -10.258 329 HG LEU 43 HG LEU 43 -15.420 -10.193 -11.360 330 HD11 LEU 43 HD11 LEU 43 -14.487 -10.991 -8.607 331 HD12 LEU 43 HD12 LEU 43 -13.504 -10.925 -10.069 332 HD13 LEU 43 HD13 LEU 43 -14.813 -12.100 -9.939 333 HD21 LEU 43 HD21 LEU 43 -17.155 -11.384 -10.114 334 HD22 LEU 43 HD22 LEU 43 -17.559 -9.680 -10.323 335 HD23 LEU 43 HD23 LEU 43 -16.958 -10.260 -8.769 336 H GLN 44 H GLN 44 -14.890 -6.651 -12.117 337 HA GLN 44 HA GLN 44 -15.136 -8.402 -14.302 338 HB2 GLN 44 HB2 GLN 44 -16.256 -6.046 -13.628 339 HB3 GLN 44 HB3 GLN 44 -15.103 -5.476 -14.820 340 HG2 GLN 44 HG2 GLN 44 -17.225 -7.561 -15.287 341 HG3 GLN 44 HG3 GLN 44 -17.312 -5.872 -15.778 342 HE21 GLN 44 HE21 GLN 44 -16.005 -8.992 -16.451 343 HE22 GLN 44 HE22 GLN 44 -15.287 -8.589 -17.976 344 H LEU 45 H LEU 45 -12.701 -5.914 -13.589 345 HA LEU 45 HA LEU 45 -11.582 -6.067 -16.225 346 HB2 LEU 45 HB2 LEU 45 -11.526 -4.015 -14.823 347 HB3 LEU 45 HB3 LEU 45 -10.392 -4.810 -13.753 348 HG LEU 45 HG LEU 45 -8.775 -4.982 -15.617 349 HD11 LEU 45 HD11 LEU 45 -10.340 -5.023 -17.475 350 HD12 LEU 45 HD12 LEU 45 -9.180 -3.710 -17.669 351 HD13 LEU 45 HD13 LEU 45 -10.820 -3.362 -17.127 352 HD21 LEU 45 HD21 LEU 45 -9.810 -2.208 -15.056 353 HD22 LEU 45 HD22 LEU 45 -8.229 -2.589 -15.739 354 HD23 LEU 45 HD23 LEU 45 -8.628 -3.104 -14.100 355 H LEU 46 H LEU 46 -11.044 -7.733 -13.230 356 HA LEU 46 HA LEU 46 -8.502 -8.800 -14.169 357 HB2 LEU 46 HB2 LEU 46 -9.973 -8.855 -11.588 358 HB3 LEU 46 HB3 LEU 46 -8.884 -10.185 -11.925 359 HG LEU 46 HG LEU 46 -7.739 -8.532 -10.597 360 HD11 LEU 46 HD11 LEU 46 -6.787 -8.466 -13.455 361 HD12 LEU 46 HD12 LEU 46 -6.403 -9.696 -12.250 362 HD13 LEU 46 HD13 LEU 46 -5.824 -8.043 -12.037 363 HD21 LEU 46 HD21 LEU 46 -9.060 -6.572 -11.150 364 HD22 LEU 46 HD22 LEU 46 -8.393 -6.566 -12.783 365 HD23 LEU 46 HD23 LEU 46 -7.343 -6.259 -11.400 366 H ALA 47 H ALA 47 -11.693 -10.096 -13.199 367 HA ALA 47 HA ALA 47 -10.874 -12.754 -14.049 368 HB1 ALA 47 HB1 ALA 47 -12.141 -12.475 -11.974 369 HB2 ALA 47 HB2 ALA 47 -13.014 -13.483 -13.128 370 HB3 ALA 47 HB3 ALA 47 -13.492 -11.803 -12.888 371 H GLY 48 H GLY 48 -12.770 -10.108 -15.247 372 HA2 GLY 48 HA2 GLY 48 -14.474 -11.474 -17.009 373 HA3 GLY 48 HA3 GLY 48 -13.960 -9.801 -17.179 374 H GLN 49 H GLN 49 -11.158 -10.387 -17.390 375 HA GLN 49 HA GLN 49 -11.104 -11.362 -20.138 376 HB2 GLN 49 HB2 GLN 49 -9.106 -9.868 -18.441 377 HB3 GLN 49 HB3 GLN 49 -8.650 -10.601 -19.971 378 HG2 GLN 49 HG2 GLN 49 -9.085 -8.291 -20.336 379 HG3 GLN 49 HG3 GLN 49 -10.376 -9.221 -21.092 380 HE21 GLN 49 HE21 GLN 49 -9.521 -7.105 -18.466 381 HE22 GLN 49 HE22 GLN 49 -11.133 -6.678 -18.023 382 H GLY 50 H GLY 50 -9.037 -11.762 -17.266 383 HA2 GLY 50 HA2 GLY 50 -8.938 -14.276 -16.636 384 HA3 GLY 50 HA3 GLY 50 -8.306 -14.422 -18.272 385 H LYS 51 H LYS 51 -7.788 -12.271 -15.488 386 HA LYS 51 HA LYS 51 -4.992 -13.048 -15.430 387 HB2 LYS 51 HB2 LYS 51 -4.232 -10.680 -15.441 388 HB3 LYS 51 HB3 LYS 51 -4.892 -11.222 -16.977 389 HG2 LYS 51 HG2 LYS 51 -7.088 -10.155 -16.180 390 HG3 LYS 51 HG3 LYS 51 -6.085 -9.338 -14.977 391 HD2 LYS 51 HD2 LYS 51 -6.273 -7.879 -16.846 392 HD3 LYS 51 HD3 LYS 51 -4.639 -8.546 -16.871 393 HE2 LYS 51 HE2 LYS 51 -5.431 -10.254 -18.495 394 HE3 LYS 51 HE3 LYS 51 -6.985 -9.429 -18.549 395 HZ1 LYS 51 HZ1 LYS 51 -5.563 -8.794 -20.399 396 HZ2 LYS 51 HZ2 LYS 51 -4.375 -8.238 -19.327 397 HZ3 LYS 51 HZ3 LYS 51 -5.875 -7.456 -19.405 398 H SER 52 H SER 52 -3.912 -11.654 -13.549 399 HA SER 52 HA SER 52 -5.737 -11.231 -11.337 400 HB2 SER 52 HB2 SER 52 -3.668 -13.448 -11.227 401 HB3 SER 52 HB3 SER 52 -4.727 -12.949 -9.910 402 HG SER 52 HG SER 52 -6.276 -13.446 -11.982 403 HA PRO 53 HA PRO 53 -2.362 -8.674 -9.811 404 HB2 PRO 53 HB2 PRO 53 -2.803 -9.819 -7.121 405 HB3 PRO 53 HB3 PRO 53 -2.903 -8.139 -7.652 406 HG2 PRO 53 HG2 PRO 53 -5.102 -9.537 -7.043 407 HG3 PRO 53 HG3 PRO 53 -5.091 -8.356 -8.368 408 HD2 PRO 53 HD2 PRO 53 -4.916 -11.344 -8.489 409 HD3 PRO 53 HD3 PRO 53 -5.824 -10.225 -9.529 410 H SER 54 H SER 54 -0.173 -8.919 -9.130 411 HA SER 54 HA SER 54 0.718 -11.717 -9.246 412 HB2 SER 54 HB2 SER 54 1.515 -10.200 -11.050 413 HB3 SER 54 HB3 SER 54 2.314 -9.210 -9.828 414 HG SER 54 HG SER 54 2.918 -11.841 -10.673 415 H GLY 55 H GLY 55 0.863 -8.809 -7.313 416 HA2 GLY 55 HA2 GLY 55 2.533 -10.271 -5.370 417 HA3 GLY 55 HA3 GLY 55 2.827 -8.579 -5.741 418 HA PRO 56 HA PRO 56 -0.176 -8.919 -2.155 419 HB2 PRO 56 HB2 PRO 56 1.834 -7.508 -0.591 420 HB3 PRO 56 HB3 PRO 56 1.070 -9.066 -0.269 421 HG2 PRO 56 HG2 PRO 56 3.688 -8.823 -0.947 422 HG3 PRO 56 HG3 PRO 56 2.713 -10.245 -1.359 423 HD2 PRO 56 HD2 PRO 56 3.490 -7.918 -3.077 424 HD3 PRO 56 HD3 PRO 56 3.435 -9.649 -3.477 425 HA PRO 57 HA PRO 57 -1.341 -4.748 -2.931 426 HB2 PRO 57 HB2 PRO 57 -3.358 -4.466 -1.204 427 HB3 PRO 57 HB3 PRO 57 -3.453 -5.614 -2.547 428 HG2 PRO 57 HG2 PRO 57 -2.854 -6.116 0.338 429 HG3 PRO 57 HG3 PRO 57 -3.865 -7.056 -0.773 430 HD2 PRO 57 HD2 PRO 57 -1.260 -7.681 -0.105 431 HD3 PRO 57 HD3 PRO 57 -2.073 -8.219 -1.588 432 H PHE 58 H PHE 58 -1.319 -2.644 -2.179 433 HA PHE 58 HA PHE 58 -0.501 -2.165 0.584 434 HB2 PHE 58 HB2 PHE 58 1.108 -0.383 -0.274 435 HB3 PHE 58 HB3 PHE 58 1.618 -2.054 -0.463 436 HD1 PHE 58 HD2 PHE 58 1.474 -3.125 -2.720 437 HD2 PHE 58 HD1 PHE 58 0.864 1.045 -2.124 438 HE1 PHE 58 HE2 PHE 58 1.873 -2.729 -5.116 439 HE2 PHE 58 HE1 PHE 58 1.263 1.449 -4.515 440 HZ PHE 58 HZ PHE 58 1.767 -0.437 -6.014 441 H ALA 59 H ALA 59 -1.805 -0.743 1.476 442 HA ALA 59 HA ALA 59 -3.685 0.640 -0.279 443 HB1 ALA 59 HB1 ALA 59 -3.783 0.180 2.699 444 HB2 ALA 59 HB2 ALA 59 -4.601 -0.786 1.471 445 HB3 ALA 59 HB3 ALA 59 -5.061 0.898 1.718 446 H ARG 60 H ARG 60 -3.245 2.626 -0.829 447 HA ARG 60 HA ARG 60 -1.668 4.365 0.933 448 HB2 ARG 60 HB2 ARG 60 -2.694 5.212 -1.747 449 HB3 ARG 60 HB3 ARG 60 -1.205 5.663 -0.936 450 HG2 ARG 60 HG2 ARG 60 -0.194 3.571 -1.480 451 HG3 ARG 60 HG3 ARG 60 -1.723 2.944 -2.109 452 HD2 ARG 60 HD2 ARG 60 -1.673 4.863 -3.757 453 HD3 ARG 60 HD3 ARG 60 -0.013 5.149 -3.237 454 HE ARG 60 HE ARG 60 0.284 2.687 -3.944 455 HH11 ARG 60 HH11 ARG 60 -1.924 4.950 -5.437 456 HH12 ARG 60 HH12 ARG 60 -1.757 4.270 -7.030 457 HH21 ARG 60 HH21 ARG 60 0.499 1.760 -6.052 458 HH22 ARG 60 HH22 ARG 60 -0.384 2.447 -7.372 459 H TYR 61 H TYR 61 -2.735 5.778 2.243 460 HA TYR 61 HA TYR 61 -5.239 6.892 1.178 461 HB2 TYR 61 HB2 TYR 61 -6.128 6.996 3.520 462 HB3 TYR 61 HB3 TYR 61 -5.995 5.385 2.842 463 HD1 TYR 61 HD2 TYR 61 -4.433 7.750 5.235 464 HD2 TYR 61 HD1 TYR 61 -4.737 3.712 3.922 465 HE1 TYR 61 HE2 TYR 61 -3.243 7.008 7.254 466 HE2 TYR 61 HE1 TYR 61 -3.559 2.961 5.943 467 HH TYR 61 HH TYR 61 -2.369 3.603 7.733 468 H PHE 62 H PHE 62 -5.420 8.961 1.162 469 HA PHE 62 HA PHE 62 -3.469 10.572 2.668 470 HB2 PHE 62 HB2 PHE 62 -3.244 10.722 0.201 471 HB3 PHE 62 HB3 PHE 62 -4.913 11.273 0.099 472 HD1 PHE 62 HD1 PHE 62 -1.559 12.141 1.372 473 HD2 PHE 62 HD2 PHE 62 -5.467 13.539 0.438 474 HE1 PHE 62 HE1 PHE 62 -0.790 14.459 1.653 475 HE2 PHE 62 HE2 PHE 62 -4.703 15.864 0.714 476 HZ PHE 62 HZ PHE 62 -2.362 16.325 1.322 477 H GLY 63 H GLY 63 -4.431 11.326 4.427 478 HA2 GLY 63 HA2 GLY 63 -6.812 12.959 4.111 479 HA3 GLY 63 HA3 GLY 63 -6.981 11.572 5.178 480 H MET 64 H MET 64 -3.961 13.221 4.877 481 HA MET 64 HA MET 64 -4.249 14.159 7.646 482 HB2 MET 64 HB2 MET 64 -1.754 14.170 7.661 483 HB3 MET 64 HB3 MET 64 -2.454 12.579 7.397 484 HG2 MET 64 HG2 MET 64 -2.111 13.023 4.914 485 HG3 MET 64 HG3 MET 64 -1.097 14.375 5.415 486 HE1 MET 64 HE1 MET 64 -0.211 9.961 6.434 487 HE2 MET 64 HE2 MET 64 -1.591 10.490 5.468 488 HE3 MET 64 HE3 MET 64 -1.520 10.869 7.189 489 H SER 65 H SER 65 -4.615 15.289 4.675 490 HA SER 65 HA SER 65 -4.188 18.023 5.489 491 HB2 SER 65 HB2 SER 65 -2.855 16.966 2.975 492 HB3 SER 65 HB3 SER 65 -2.857 18.639 3.529 493 HG SER 65 HG SER 65 -1.958 17.122 5.517 494 H ALA 66 H ALA 66 -5.156 19.519 3.867 495 HA ALA 66 HA ALA 66 -6.748 20.207 2.404 496 HB1 ALA 66 HB1 ALA 66 -5.869 18.584 0.811 497 HB2 ALA 66 HB2 ALA 66 -7.622 18.726 0.683 498 HB3 ALA 66 HB3 ALA 66 -6.908 17.337 1.502 499 H GLY 67 H GLY 67 -7.652 17.095 3.898 500 HA2 GLY 67 HA2 GLY 67 -9.340 17.313 5.712 501 HA3 GLY 67 HA3 GLY 67 -10.230 18.358 4.615 502 H THR 68 H THR 68 -9.277 16.423 2.429 503 HA THR 68 HA THR 68 -11.539 14.597 2.671 504 HB THR 68 HB THR 68 -9.691 14.991 0.304 505 HG1 THR 68 HG1 THR 68 -11.701 16.580 1.320 506 HG21 THR 68 HG21 THR 68 -12.493 13.871 0.502 507 HG22 THR 68 HG22 THR 68 -11.022 12.929 0.253 508 HG23 THR 68 HG23 THR 68 -11.561 14.068 -0.982 509 H PHE 69 H PHE 69 -11.324 12.353 2.608 510 HA PHE 69 HA PHE 69 -8.584 11.349 3.012 511 HB2 PHE 69 HB2 PHE 69 -10.095 11.299 5.017 512 HB3 PHE 69 HB3 PHE 69 -11.123 10.172 4.146 513 HD1 PHE 69 HD2 PHE 69 -10.403 7.887 3.757 514 HD2 PHE 69 HD1 PHE 69 -7.966 10.636 5.899 515 HE1 PHE 69 HE2 PHE 69 -9.053 6.018 4.608 516 HE2 PHE 69 HE1 PHE 69 -6.611 8.771 6.758 517 HZ PHE 69 HZ PHE 69 -7.155 6.457 6.113 518 H GLU 70 H GLU 70 -7.942 10.212 1.359 519 HA GLU 70 HA GLU 70 -9.934 8.680 -0.182 520 HB2 GLU 70 HB2 GLU 70 -7.365 9.908 -1.191 521 HB3 GLU 70 HB3 GLU 70 -8.492 8.954 -2.148 522 HG2 GLU 70 HG2 GLU 70 -10.239 10.659 -1.532 523 HG3 GLU 70 HG3 GLU 70 -8.911 11.647 -0.927 524 H VAL 71 H VAL 71 -9.131 6.747 -1.249 525 HA VAL 71 HA VAL 71 -6.905 5.470 0.151 526 HB VAL 71 HB VAL 71 -8.393 3.393 0.396 527 HG11 VAL 71 HG11 VAL 71 -8.949 5.826 2.092 528 HG12 VAL 71 HG12 VAL 71 -7.614 4.692 2.303 529 HG13 VAL 71 HG13 VAL 71 -9.276 4.157 2.558 530 HG21 VAL 71 HG21 VAL 71 -10.248 4.192 -0.987 531 HG22 VAL 71 HG22 VAL 71 -10.559 5.477 0.181 532 HG23 VAL 71 HG23 VAL 71 -10.774 3.790 0.647 533 H GLU 72 H GLU 72 -5.713 4.213 -1.113 534 HA GLU 72 HA GLU 72 -6.918 3.038 -3.535 535 HB2 GLU 72 HB2 GLU 72 -4.060 4.006 -3.257 536 HB3 GLU 72 HB3 GLU 72 -4.772 3.275 -4.687 537 HG2 GLU 72 HG2 GLU 72 -6.302 5.206 -4.865 538 HG3 GLU 72 HG3 GLU 72 -5.480 5.948 -3.492 539 H PHE 73 H PHE 73 -7.164 0.931 -2.896 540 HA PHE 73 HA PHE 73 -5.560 -0.296 -0.932 541 HB2 PHE 73 HB2 PHE 73 -6.650 -2.440 -1.711 542 HB3 PHE 73 HB3 PHE 73 -7.742 -1.159 -1.202 543 HD1 PHE 73 HD2 PHE 73 -6.342 -2.893 -4.151 544 HD2 PHE 73 HD1 PHE 73 -9.348 -0.270 -2.671 545 HE1 PHE 73 HE2 PHE 73 -7.558 -3.091 -6.278 546 HE2 PHE 73 HE1 PHE 73 -10.571 -0.472 -4.794 547 HZ PHE 73 HZ PHE 73 -9.677 -1.882 -6.601 548 H GLY 74 H GLY 74 -5.227 -0.087 -4.377 549 HA2 GLY 74 HA2 GLY 74 -3.452 -0.500 -5.749 550 HA3 GLY 74 HA3 GLY 74 -2.493 -0.206 -4.317 551 H PHE 75 H PHE 75 -3.918 -2.665 -6.388 552 HA PHE 75 HA PHE 75 -2.162 -4.658 -5.110 553 HB2 PHE 75 HB2 PHE 75 -4.488 -4.872 -7.010 554 HB3 PHE 75 HB3 PHE 75 -3.328 -6.186 -6.871 555 HD1 PHE 75 HD1 PHE 75 -5.783 -4.168 -4.971 556 HD2 PHE 75 HD2 PHE 75 -3.444 -7.720 -5.118 557 HE1 PHE 75 HE1 PHE 75 -7.040 -5.072 -3.059 558 HE2 PHE 75 HE2 PHE 75 -4.693 -8.626 -3.202 559 HZ PHE 75 HZ PHE 75 -6.494 -7.302 -2.172 560 HA PRO 76 HA PRO 76 0.569 -4.213 -8.663 561 HB2 PRO 76 HB2 PRO 76 1.819 -6.712 -7.840 562 HB3 PRO 76 HB3 PRO 76 2.488 -5.078 -7.805 563 HG2 PRO 76 HG2 PRO 76 1.874 -6.474 -5.556 564 HG3 PRO 76 HG3 PRO 76 1.802 -4.704 -5.646 565 HD2 PRO 76 HD2 PRO 76 -0.424 -6.706 -5.828 566 HD3 PRO 76 HD3 PRO 76 -0.375 -5.152 -4.966 567 H VAL 77 H VAL 77 0.532 -5.108 -10.725 568 HA VAL 77 HA VAL 77 -1.266 -7.430 -10.965 569 HB VAL 77 HB VAL 77 -1.934 -6.519 -13.185 570 HG11 VAL 77 HG11 VAL 77 -3.325 -6.204 -11.213 571 HG12 VAL 77 HG12 VAL 77 -3.428 -4.813 -12.292 572 HG13 VAL 77 HG13 VAL 77 -2.454 -4.721 -10.825 573 HG21 VAL 77 HG21 VAL 77 -0.436 -4.069 -12.258 574 HG22 VAL 77 HG22 VAL 77 -1.493 -4.154 -13.667 575 HG23 VAL 77 HG23 VAL 77 -0.006 -5.101 -13.624 576 H GLU 78 H GLU 78 -1.102 -8.508 -13.112 577 HA GLU 78 HA GLU 78 1.471 -9.670 -13.278 578 HB2 GLU 78 HB2 GLU 78 -0.629 -10.892 -13.650 579 HB3 GLU 78 HB3 GLU 78 -0.938 -9.929 -15.085 580 HG2 GLU 78 HG2 GLU 78 1.122 -10.859 -16.089 581 HG3 GLU 78 HG3 GLU 78 1.281 -11.912 -14.683 582 H GLY 79 H GLY 79 -0.239 -7.289 -15.191 583 HA2 GLY 79 HA2 GLY 79 1.127 -5.689 -16.458 584 HA3 GLY 79 HA3 GLY 79 2.121 -7.057 -16.947 585 H GLY 80 H GLY 80 0.271 -5.000 -18.338 586 HA2 GLY 80 HA2 GLY 80 -0.767 -5.143 -20.423 587 HA3 GLY 80 HA3 GLY 80 -0.786 -6.897 -20.264 588 H VAL 81 H VAL 81 -2.061 -4.279 -18.236 589 HA VAL 81 HA VAL 81 -4.724 -5.529 -18.459 590 HB VAL 81 HB VAL 81 -3.827 -3.955 -16.051 591 HG11 VAL 81 HG11 VAL 81 -6.228 -4.218 -16.355 592 HG12 VAL 81 HG12 VAL 81 -5.665 -5.118 -14.946 593 HG13 VAL 81 HG13 VAL 81 -6.033 -5.968 -16.447 594 HG21 VAL 81 HG21 VAL 81 -2.308 -5.852 -16.272 595 HG22 VAL 81 HG22 VAL 81 -3.684 -6.947 -16.396 596 HG23 VAL 81 HG23 VAL 81 -3.392 -6.065 -14.898 597 H GLU 82 H GLU 82 -6.510 -4.091 -18.420 598 HA GLU 82 HA GLU 82 -5.912 -1.588 -19.759 599 HB2 GLU 82 HB2 GLU 82 -8.014 -3.522 -19.850 600 HB3 GLU 82 HB3 GLU 82 -8.713 -1.963 -19.435 601 HG2 GLU 82 HG2 GLU 82 -6.994 -2.562 -21.834 602 HG3 GLU 82 HG3 GLU 82 -8.740 -2.318 -21.832 603 H GLY 83 H GLY 83 -7.882 0.083 -19.208 604 HA2 GLY 83 HA2 GLY 83 -8.036 0.383 -16.282 605 HA3 GLY 83 HA3 GLY 83 -7.436 1.718 -17.262 606 H SER 84 H SER 84 -9.807 1.662 -15.570 607 HA SER 84 HA SER 84 -11.744 2.463 -17.588 608 HB2 SER 84 HB2 SER 84 -12.383 0.380 -15.488 609 HB3 SER 84 HB3 SER 84 -13.558 1.127 -16.568 610 HG SER 84 HG SER 84 -11.462 0.160 -17.965 611 H GLY 85 H GLY 85 -11.002 4.500 -16.619 612 HA2 GLY 85 HA2 GLY 85 -11.632 6.391 -15.490 613 HA3 GLY 85 HA3 GLY 85 -13.084 5.526 -15.017 614 H ARG 86 H ARG 86 -13.189 4.530 -13.035 615 HA ARG 86 HA ARG 86 -11.468 5.605 -11.005 616 HB2 ARG 86 HB2 ARG 86 -12.912 4.450 -9.436 617 HB3 ARG 86 HB3 ARG 86 -13.899 5.247 -10.652 618 HG2 ARG 86 HG2 ARG 86 -14.082 3.061 -11.835 619 HG3 ARG 86 HG3 ARG 86 -13.251 2.316 -10.470 620 HD2 ARG 86 HD2 ARG 86 -15.055 3.266 -8.996 621 HD3 ARG 86 HD3 ARG 86 -15.919 3.710 -10.470 622 HE ARG 86 HE ARG 86 -15.251 0.936 -9.676 623 HH11 ARG 86 HH11 ARG 86 -17.288 3.228 -11.402 624 HH12 ARG 86 HH12 ARG 86 -18.492 2.037 -11.787 625 HH21 ARG 86 HH21 ARG 86 -16.811 -0.595 -10.185 626 HH22 ARG 86 HH22 ARG 86 -18.227 -0.143 -11.097 627 H VAL 87 H VAL 87 -11.636 2.726 -12.881 628 HA VAL 87 HA VAL 87 -9.823 1.242 -11.136 629 HB VAL 87 HB VAL 87 -10.618 0.311 -13.874 630 HG11 VAL 87 HG11 VAL 87 -10.513 -1.894 -12.802 631 HG12 VAL 87 HG12 VAL 87 -10.105 -1.116 -11.273 632 HG13 VAL 87 HG13 VAL 87 -9.001 -0.998 -12.644 633 HG21 VAL 87 HG21 VAL 87 -12.659 -0.709 -12.975 634 HG22 VAL 87 HG22 VAL 87 -12.717 1.052 -12.896 635 HG23 VAL 87 HG23 VAL 87 -12.387 0.116 -11.439 636 H VAL 88 H VAL 88 -7.771 2.105 -11.270 637 HA VAL 88 HA VAL 88 -6.729 2.532 -13.992 638 HB VAL 88 HB VAL 88 -5.312 4.378 -13.043 639 HG11 VAL 88 HG11 VAL 88 -8.304 4.754 -12.977 640 HG12 VAL 88 HG12 VAL 88 -7.276 4.822 -14.410 641 HG13 VAL 88 HG13 VAL 88 -7.107 6.039 -13.146 642 HG21 VAL 88 HG21 VAL 88 -5.496 3.834 -10.681 643 HG22 VAL 88 HG22 VAL 88 -7.234 4.128 -10.728 644 HG23 VAL 88 HG23 VAL 88 -6.107 5.461 -10.981 645 H THR 89 H THR 89 -4.552 2.184 -14.350 646 HA THR 89 HA THR 89 -3.063 0.857 -12.205 647 HB THR 89 HB THR 89 -3.936 -0.888 -13.694 648 HG1 THR 89 HG1 THR 89 -1.792 -1.055 -12.744 649 HG21 THR 89 HG21 THR 89 -2.380 0.514 -15.860 650 HG22 THR 89 HG22 THR 89 -4.135 0.375 -15.766 651 HG23 THR 89 HG23 THR 89 -3.149 -1.066 -16.018 652 H GLY 90 H GLY 90 -0.722 0.623 -12.894 653 HA2 GLY 90 HA2 GLY 90 0.657 2.006 -14.765 654 HA3 GLY 90 HA3 GLY 90 0.225 3.267 -13.617 655 H LEU 91 H LEU 91 2.755 3.190 -13.726 656 HA LEU 91 HA LEU 91 3.764 1.191 -11.825 657 HB2 LEU 91 HB2 LEU 91 5.098 2.917 -13.883 658 HB3 LEU 91 HB3 LEU 91 6.024 2.291 -12.532 659 HG LEU 91 HG LEU 91 5.351 -0.019 -13.218 660 HD11 LEU 91 HD11 LEU 91 3.337 0.559 -14.473 661 HD12 LEU 91 HD12 LEU 91 4.470 -0.374 -15.450 662 HD13 LEU 91 HD13 LEU 91 4.326 1.368 -15.689 663 HD21 LEU 91 HD21 LEU 91 6.839 1.634 -15.253 664 HD22 LEU 91 HD22 LEU 91 6.903 -0.123 -15.110 665 HD23 LEU 91 HD23 LEU 91 7.519 0.891 -13.806 666 H THR 92 H THR 92 4.779 1.759 -9.948 667 HA THR 92 HA THR 92 4.048 4.305 -8.828 668 HB THR 92 HB THR 92 5.366 3.307 -6.825 669 HG1 THR 92 HG1 THR 92 6.343 1.480 -7.291 670 HG21 THR 92 HG21 THR 92 3.454 1.902 -6.207 671 HG22 THR 92 HG22 THR 92 2.895 1.926 -7.879 672 HG23 THR 92 HG23 THR 92 2.922 3.417 -6.938 673 HA PRO 93 HA PRO 93 7.998 6.275 -9.505 674 HB2 PRO 93 HB2 PRO 93 7.788 8.260 -7.673 675 HB3 PRO 93 HB3 PRO 93 6.892 8.280 -9.197 676 HG2 PRO 93 HG2 PRO 93 5.961 7.516 -6.459 677 HG3 PRO 93 HG3 PRO 93 5.121 8.452 -7.708 678 HD2 PRO 93 HD2 PRO 93 4.632 5.812 -7.222 679 HD3 PRO 93 HD3 PRO 93 4.405 6.571 -8.809 680 H SER 94 H SER 94 10.036 6.162 -8.596 681 HA SER 94 HA SER 94 10.228 4.545 -6.205 682 HB2 SER 94 HB2 SER 94 11.616 4.134 -8.286 683 HB3 SER 94 HB3 SER 94 12.517 5.591 -7.868 684 HG SER 94 HG SER 94 12.166 3.402 -6.099 685 H GLY 95 H GLY 95 10.932 5.188 -4.284 686 HA2 GLY 95 HA2 GLY 95 12.382 7.605 -3.818 687 HA3 GLY 95 HA3 GLY 95 10.684 7.775 -3.389 688 H LYS 96 H LYS 96 12.749 7.979 -1.497 689 HA LYS 96 HA LYS 96 12.662 5.417 -0.068 690 HB2 LYS 96 HB2 LYS 96 14.430 7.842 0.274 691 HB3 LYS 96 HB3 LYS 96 14.389 6.527 1.434 692 HG2 LYS 96 HG2 LYS 96 16.283 6.247 -0.012 693 HG3 LYS 96 HG3 LYS 96 15.110 4.976 -0.358 694 HD2 LYS 96 HD2 LYS 96 14.520 5.898 -2.396 695 HD3 LYS 96 HD3 LYS 96 15.069 7.507 -1.936 696 HE2 LYS 96 HE2 LYS 96 16.610 6.653 -3.540 697 HE3 LYS 96 HE3 LYS 96 17.408 6.628 -1.971 698 HZ1 LYS 96 HZ1 LYS 96 17.842 4.602 -3.180 699 HZ2 LYS 96 HZ2 LYS 96 16.184 4.286 -3.340 700 HZ3 LYS 96 HZ3 LYS 96 16.908 4.257 -1.808 701 H ALA 97 H ALA 97 11.441 5.171 1.667 702 HA ALA 97 HA ALA 97 10.374 7.547 3.023 703 HB1 ALA 97 HB1 ALA 97 8.668 5.251 2.062 704 HB2 ALA 97 HB2 ALA 97 8.722 6.860 1.342 705 HB3 ALA 97 HB3 ALA 97 8.116 6.649 2.984 706 H ALA 98 H ALA 98 9.175 6.915 5.057 707 HA ALA 98 HA ALA 98 10.775 4.929 6.472 708 HB1 ALA 98 HB1 ALA 98 9.911 5.943 8.513 709 HB2 ALA 98 HB2 ALA 98 8.858 6.986 7.557 710 HB3 ALA 98 HB3 ALA 98 10.609 7.166 7.450 711 H SER 99 H SER 99 10.038 2.992 6.847 712 HA SER 99 HA SER 99 7.160 2.561 7.205 713 HB2 SER 99 HB2 SER 99 7.788 1.949 4.868 714 HB3 SER 99 HB3 SER 99 8.960 0.801 5.516 715 HG SER 99 HG SER 99 6.295 0.647 6.364 716 H SER 100 H SER 100 6.728 1.336 8.952 717 HA SER 100 HA SER 100 8.982 0.010 10.284 718 HB2 SER 100 HB2 SER 100 7.703 1.688 11.600 719 HB3 SER 100 HB3 SER 100 6.252 0.712 11.390 720 HG SER 100 HG SER 100 8.004 0.497 13.299 721 H LEU 101 H LEU 101 8.688 -2.122 11.139 722 HA LEU 101 HA LEU 101 6.943 -3.739 9.447 723 HB2 LEU 101 HB2 LEU 101 9.127 -4.539 11.377 724 HB3 LEU 101 HB3 LEU 101 8.216 -5.651 10.377 725 HG LEU 101 HG LEU 101 10.060 -3.488 9.351 726 HD11 LEU 101 HD11 LEU 101 11.243 -5.344 10.438 727 HD12 LEU 101 HD12 LEU 101 11.516 -5.315 8.696 728 HD13 LEU 101 HD13 LEU 101 10.394 -6.483 9.393 729 HD21 LEU 101 HD21 LEU 101 8.195 -3.931 7.834 730 HD22 LEU 101 HD22 LEU 101 8.564 -5.656 7.884 731 HD23 LEU 101 HD23 LEU 101 9.717 -4.528 7.171 732 H TYR 102 H TYR 102 4.932 -3.604 10.284 733 HA TYR 102 HA TYR 102 4.424 -3.966 13.101 734 HB2 TYR 102 HB2 TYR 102 3.041 -2.571 11.437 735 HB3 TYR 102 HB3 TYR 102 2.400 -4.103 10.863 736 HD1 TYR 102 HD2 TYR 102 2.999 -2.503 14.192 737 HD2 TYR 102 HD1 TYR 102 0.299 -4.585 11.649 738 HE1 TYR 102 HE2 TYR 102 1.277 -2.398 15.941 739 HE2 TYR 102 HE1 TYR 102 -1.433 -4.476 13.391 740 HH TYR 102 HH TYR 102 -1.105 -2.483 16.165 741 H ILE 103 H ILE 103 4.874 -5.950 13.870 742 HA ILE 103 HA ILE 103 4.587 -8.252 12.105 743 HB ILE 103 HB ILE 103 5.896 -8.033 14.820 744 HG12 ILE 103 HG12 ILE 103 7.120 -8.185 12.053 745 HG13 ILE 103 HG13 ILE 103 7.029 -6.734 13.046 746 HG21 ILE 103 HG21 ILE 103 5.103 -10.289 14.382 747 HG22 ILE 103 HG22 ILE 103 6.863 -10.224 14.311 748 HG23 ILE 103 HG23 ILE 103 5.923 -10.289 12.819 749 HD11 ILE 103 HD11 ILE 103 8.564 -9.240 13.694 750 HD12 ILE 103 HD12 ILE 103 8.446 -7.814 14.726 751 HD13 ILE 103 HD13 ILE 103 9.236 -7.702 13.154 752 H GLY 104 H GLY 104 2.936 -9.575 12.228 753 HA2 GLY 104 HA2 GLY 104 1.613 -11.059 13.699 754 HA3 GLY 104 HA3 GLY 104 1.376 -9.656 14.736 755 HA PRO 105 HA PRO 105 -2.310 -9.792 11.986 756 HB2 PRO 105 HB2 PRO 105 -4.097 -9.110 13.896 757 HB3 PRO 105 HB3 PRO 105 -3.556 -10.775 13.651 758 HG2 PRO 105 HG2 PRO 105 -2.667 -8.779 15.694 759 HG3 PRO 105 HG3 PRO 105 -3.001 -10.510 15.888 760 HD2 PRO 105 HD2 PRO 105 -0.483 -9.491 15.639 761 HD3 PRO 105 HD3 PRO 105 -0.934 -11.122 15.102 762 H TYR 106 H TYR 106 -3.921 -8.025 11.586 763 HA TYR 106 HA TYR 106 -2.538 -5.458 11.807 764 HB2 TYR 106 HB2 TYR 106 -3.161 -6.159 9.550 765 HB3 TYR 106 HB3 TYR 106 -4.842 -6.333 10.044 766 HD1 TYR 106 HD1 TYR 106 -2.157 -3.736 10.070 767 HD2 TYR 106 HD2 TYR 106 -6.277 -4.614 9.494 768 HE1 TYR 106 HE1 TYR 106 -2.565 -1.394 9.465 769 HE2 TYR 106 HE2 TYR 106 -6.696 -2.268 8.879 770 HH TYR 106 HH TYR 106 -4.177 -0.097 8.170 771 H GLY 107 H GLY 107 -3.360 -3.748 12.934 772 HA2 GLY 107 HA2 GLY 107 -6.122 -3.555 13.627 773 HA3 GLY 107 HA3 GLY 107 -5.158 -4.107 14.986 774 H GLU 108 H GLU 108 -3.256 -2.702 15.546 775 HA GLU 108 HA GLU 108 -4.343 0.012 15.670 776 HB2 GLU 108 HB2 GLU 108 -2.313 -1.409 17.391 777 HB3 GLU 108 HB3 GLU 108 -2.822 0.259 17.624 778 HG2 GLU 108 HG2 GLU 108 -5.053 -0.413 18.104 779 HG3 GLU 108 HG3 GLU 108 -4.703 -2.080 17.652 780 H ILE 109 H ILE 109 -3.593 1.264 14.089 781 HA ILE 109 HA ILE 109 -0.895 1.111 13.121 782 HB ILE 109 HB ILE 109 -3.077 3.133 12.615 783 HG12 ILE 109 HG12 ILE 109 -3.488 0.927 11.678 784 HG13 ILE 109 HG13 ILE 109 -3.139 2.070 10.389 785 HG21 ILE 109 HG21 ILE 109 -0.344 2.953 11.353 786 HG22 ILE 109 HG22 ILE 109 -0.950 4.262 12.368 787 HG23 ILE 109 HG23 ILE 109 -1.661 3.976 10.779 788 HD11 ILE 109 HD11 ILE 109 -0.850 1.221 10.268 789 HD12 ILE 109 HD12 ILE 109 -2.039 -0.052 9.989 790 HD13 ILE 109 HD13 ILE 109 -1.219 0.062 11.546 791 H GLU 110 H GLU 110 -2.702 3.348 15.197 792 HA GLU 110 HA GLU 110 -0.693 5.306 15.371 793 HB2 GLU 110 HB2 GLU 110 -1.919 6.156 17.342 794 HB3 GLU 110 HB3 GLU 110 -2.962 5.861 15.964 795 HG2 GLU 110 HG2 GLU 110 -2.652 3.954 18.269 796 HG3 GLU 110 HG3 GLU 110 -3.906 5.187 18.171 797 H ALA 111 H ALA 111 -1.196 2.354 17.166 798 HA ALA 111 HA ALA 111 0.454 2.798 19.367 799 HB1 ALA 111 HB1 ALA 111 -1.016 0.858 19.150 800 HB2 ALA 111 HB2 ALA 111 0.638 0.367 19.516 801 HB3 ALA 111 HB3 ALA 111 0.015 0.214 17.872 802 H VAL 112 H VAL 112 1.297 1.490 16.166 803 HA VAL 112 HA VAL 112 4.127 1.535 16.813 804 HB VAL 112 HB VAL 112 3.275 -0.306 15.436 805 HG11 VAL 112 HG11 VAL 112 2.652 1.808 13.383 806 HG12 VAL 112 HG12 VAL 112 1.484 0.820 14.261 807 HG13 VAL 112 HG13 VAL 112 2.590 0.067 13.112 808 HG21 VAL 112 HG21 VAL 112 5.163 1.507 13.942 809 HG22 VAL 112 HG22 VAL 112 4.945 -0.217 13.642 810 HG23 VAL 112 HG23 VAL 112 5.602 0.334 15.183 811 H TYR 113 H TYR 113 1.770 3.464 15.200 812 HA TYR 113 HA TYR 113 3.315 5.047 13.518 813 HB2 TYR 113 HB2 TYR 113 0.734 4.908 13.899 814 HB3 TYR 113 HB3 TYR 113 1.012 6.172 15.087 815 HD1 TYR 113 HD1 TYR 113 1.837 8.384 14.359 816 HD2 TYR 113 HD2 TYR 113 0.796 5.353 11.562 817 HE1 TYR 113 HE1 TYR 113 1.732 10.077 12.577 818 HE2 TYR 113 HE2 TYR 113 0.688 7.037 9.772 819 HH TYR 113 HH TYR 113 1.851 10.252 10.202 820 H ASP 114 H ASP 114 2.639 5.384 16.986 821 HA ASP 114 HA ASP 114 3.832 7.877 17.424 822 HB2 ASP 114 HB2 ASP 114 2.498 6.695 19.131 823 HB3 ASP 114 HB3 ASP 114 3.780 5.500 19.304 824 H ALA 115 H ALA 115 5.273 4.651 17.353 825 HA ALA 115 HA ALA 115 7.890 5.487 18.093 826 HB1 ALA 115 HB1 ALA 115 8.596 3.263 17.356 827 HB2 ALA 115 HB2 ALA 115 7.019 3.007 16.609 828 HB3 ALA 115 HB3 ALA 115 7.148 3.172 18.359 829 H LEU 116 H LEU 116 6.267 4.926 15.019 830 HA LEU 116 HA LEU 116 8.430 5.210 13.287 831 HB2 LEU 116 HB2 LEU 116 5.488 5.521 13.081 832 HB3 LEU 116 HB3 LEU 116 6.451 6.209 11.790 833 HG LEU 116 HG LEU 116 6.837 3.354 12.620 834 HD11 LEU 116 HD11 LEU 116 5.237 2.693 10.901 835 HD12 LEU 116 HD12 LEU 116 4.831 4.385 10.615 836 HD13 LEU 116 HD13 LEU 116 4.446 3.635 12.165 837 HD21 LEU 116 HD21 LEU 116 7.636 3.137 10.336 838 HD22 LEU 116 HD22 LEU 116 8.502 4.431 11.166 839 HD23 LEU 116 HD23 LEU 116 7.226 4.822 10.014 840 H MET 117 H MET 117 6.223 7.712 14.538 841 HA MET 117 HA MET 117 7.485 9.793 13.060 842 HB2 MET 117 HB2 MET 117 6.120 11.337 14.332 843 HB3 MET 117 HB3 MET 117 5.152 9.974 13.799 844 HG2 MET 117 HG2 MET 117 5.274 9.002 16.024 845 HG3 MET 117 HG3 MET 117 6.278 10.350 16.563 846 HE1 MET 117 HE1 MET 117 2.877 11.018 18.377 847 HE2 MET 117 HE2 MET 117 4.618 10.819 18.573 848 HE3 MET 117 HE3 MET 117 3.628 9.456 18.053 849 H LYS 118 H LYS 118 8.065 8.362 16.193 850 HA LYS 118 HA LYS 118 9.801 10.452 17.100 851 HB2 LYS 118 HB2 LYS 118 8.639 8.314 18.331 852 HB3 LYS 118 HB3 LYS 118 10.280 7.719 18.123 853 HG2 LYS 118 HG2 LYS 118 9.436 10.227 19.568 854 HG3 LYS 118 HG3 LYS 118 10.069 8.745 20.288 855 HD2 LYS 118 HD2 LYS 118 12.212 9.098 19.236 856 HD3 LYS 118 HD3 LYS 118 11.589 10.496 18.360 857 HE2 LYS 118 HE2 LYS 118 11.151 11.577 20.572 858 HE3 LYS 118 HE3 LYS 118 11.996 10.230 21.331 859 HZ1 LYS 118 HZ1 LYS 118 13.465 12.111 21.010 860 HZ2 LYS 118 HZ2 LYS 118 13.158 12.110 19.341 861 HZ3 LYS 118 HZ3 LYS 118 13.972 10.805 20.060 862 H TRP 119 H TRP 119 10.158 7.468 15.293 863 HA TRP 119 HA TRP 119 12.943 7.257 15.252 864 HB2 TRP 119 HB2 TRP 119 11.409 5.495 14.449 865 HB3 TRP 119 HB3 TRP 119 10.981 6.502 13.071 866 HD1 TRP 119 HD1 TRP 119 13.967 4.528 14.497 867 HE1 TRP 119 HE1 TRP 119 15.545 3.929 12.555 868 HE3 TRP 119 HE3 TRP 119 11.651 7.109 10.735 869 HZ2 TRP 119 HZ2 TRP 119 15.772 4.467 9.794 870 HZ3 TRP 119 HZ3 TRP 119 12.613 7.013 8.473 871 HH2 TRP 119 HH2 TRP 119 14.634 5.719 8.014 872 H VAL 120 H VAL 120 10.751 9.020 13.089 873 HA VAL 120 HA VAL 120 12.842 9.897 11.358 874 HB VAL 120 HB VAL 120 10.500 9.707 10.625 875 HG11 VAL 120 HG11 VAL 120 8.908 11.496 11.114 876 HG12 VAL 120 HG12 VAL 120 10.048 12.176 12.275 877 HG13 VAL 120 HG13 VAL 120 9.347 10.583 12.560 878 HG21 VAL 120 HG21 VAL 120 12.101 11.010 9.356 879 HG22 VAL 120 HG22 VAL 120 11.721 12.435 10.323 880 HG23 VAL 120 HG23 VAL 120 10.496 11.736 9.265 881 H ASP 121 H ASP 121 11.229 11.252 14.147 882 HA ASP 121 HA ASP 121 12.205 13.838 14.194 883 HB2 ASP 121 HB2 ASP 121 10.742 13.244 15.950 884 HB3 ASP 121 HB3 ASP 121 11.724 11.858 16.415 885 H ASP 122 H ASP 122 13.834 10.855 15.102 886 HA ASP 122 HA ASP 122 16.279 12.195 15.822 887 HB2 ASP 122 HB2 ASP 122 15.744 10.168 16.986 888 HB3 ASP 122 HB3 ASP 122 15.568 9.280 15.478 889 H ASN 123 H ASN 123 15.150 10.247 13.073 890 HA ASN 123 HA ASN 123 17.647 10.039 11.790 891 HB2 ASN 123 HB2 ASN 123 15.591 8.621 11.411 892 HB3 ASN 123 HB3 ASN 123 14.948 9.950 10.449 893 HD21 ASN 123 HD21 ASN 123 17.321 7.440 10.648 894 HD22 ASN 123 HD22 ASN 123 17.811 7.498 8.994 895 H GLY 124 H GLY 124 15.007 12.390 11.412 896 HA2 GLY 124 HA2 GLY 124 15.337 14.652 10.880 897 HA3 GLY 124 HA3 GLY 124 16.954 14.268 10.325 898 H PHE 125 H PHE 125 14.726 12.129 8.963 899 HA PHE 125 HA PHE 125 14.893 13.503 6.409 900 HB2 PHE 125 HB2 PHE 125 15.139 10.953 6.755 901 HB3 PHE 125 HB3 PHE 125 13.395 10.937 6.939 902 HD1 PHE 125 HD1 PHE 125 15.930 12.331 4.575 903 HD2 PHE 125 HD2 PHE 125 12.174 10.392 5.072 904 HE1 PHE 125 HE1 PHE 125 15.682 12.184 2.133 905 HE2 PHE 125 HE2 PHE 125 11.923 10.244 2.632 906 HZ PHE 125 HZ PHE 125 13.680 11.141 1.158 907 H ASP 126 H ASP 126 12.721 13.433 5.062 908 HA ASP 126 HA ASP 126 10.286 13.569 6.530 909 HB2 ASP 126 HB2 ASP 126 9.752 15.876 6.384 910 HB3 ASP 126 HB3 ASP 126 11.377 15.810 7.055 911 H LEU 127 H LEU 127 8.517 13.498 5.235 912 HA LEU 127 HA LEU 127 8.775 14.080 2.382 913 HB2 LEU 127 HB2 LEU 127 7.633 11.517 3.511 914 HB3 LEU 127 HB3 LEU 127 7.353 12.069 1.874 915 HG LEU 127 HG LEU 127 10.057 11.360 3.020 916 HD11 LEU 127 HD11 LEU 127 8.292 9.898 1.062 917 HD12 LEU 127 HD12 LEU 127 8.618 9.411 2.725 918 HD13 LEU 127 HD13 LEU 127 9.923 9.426 1.538 919 HD21 LEU 127 HD21 LEU 127 10.844 11.573 0.722 920 HD22 LEU 127 HD22 LEU 127 10.169 13.100 1.292 921 HD23 LEU 127 HD23 LEU 127 9.234 12.073 0.206 922 H SER 128 H SER 128 6.571 14.210 1.370 923 HA SER 128 HA SER 128 4.412 14.624 3.282 924 HB2 SER 128 HB2 SER 128 3.855 16.795 1.973 925 HB3 SER 128 HB3 SER 128 5.124 16.843 3.195 926 HG SER 128 HG SER 128 6.226 16.128 0.875 927 H GLY 129 H GLY 129 3.710 12.631 2.308 928 HA2 GLY 129 HA2 GLY 129 2.103 13.202 -0.078 929 HA3 GLY 129 HA3 GLY 129 3.096 11.751 -0.045 930 H GLU 130 H GLU 130 1.840 10.048 0.260 931 HA GLU 130 HA GLU 130 -0.501 10.298 2.024 932 HB2 GLU 130 HB2 GLU 130 0.103 8.097 0.037 933 HB3 GLU 130 HB3 GLU 130 -1.382 8.298 0.950 934 HG2 GLU 130 HG2 GLU 130 -1.935 9.059 -1.156 935 HG3 GLU 130 HG3 GLU 130 -1.589 10.546 -0.275 936 H ALA 131 H ALA 131 -1.054 8.277 3.245 937 HA ALA 131 HA ALA 131 1.370 6.944 4.253 938 HB1 ALA 131 HB1 ALA 131 0.017 8.076 5.965 939 HB2 ALA 131 HB2 ALA 131 0.024 6.329 6.203 940 HB3 ALA 131 HB3 ALA 131 -1.384 7.116 5.489 941 H TYR 132 H TYR 132 1.678 4.864 3.664 942 HA TYR 132 HA TYR 132 -0.655 3.412 2.653 943 HB2 TYR 132 HB2 TYR 132 0.733 2.501 0.790 944 HB3 TYR 132 HB3 TYR 132 0.384 4.218 0.664 945 HD1 TYR 132 HD2 TYR 132 2.217 5.863 1.293 946 HD2 TYR 132 HD1 TYR 132 2.933 1.706 0.766 947 HE1 TYR 132 HE2 TYR 132 4.613 6.322 0.998 948 HE2 TYR 132 HE1 TYR 132 5.331 2.151 0.464 949 HH TYR 132 HH TYR 132 6.770 5.059 1.277 950 H GLU 133 H GLU 133 -0.820 1.367 3.171 951 HA GLU 133 HA GLU 133 1.320 0.206 4.828 952 HB2 GLU 133 HB2 GLU 133 -1.650 -0.359 4.829 953 HB3 GLU 133 HB3 GLU 133 -0.466 -1.085 5.908 954 HG2 GLU 133 HG2 GLU 133 -0.068 0.965 7.008 955 HG3 GLU 133 HG3 GLU 133 -0.942 1.875 5.776 956 H ILE 134 H ILE 134 2.388 -1.415 3.933 957 HA ILE 134 HA ILE 134 1.268 -2.817 1.634 958 HB ILE 134 HB ILE 134 4.017 -3.033 2.893 959 HG12 ILE 134 HG12 ILE 134 4.663 -2.008 0.602 960 HG13 ILE 134 HG13 ILE 134 2.973 -1.531 0.501 961 HG21 ILE 134 HG21 ILE 134 4.630 -4.311 0.886 962 HG22 ILE 134 HG22 ILE 134 2.947 -4.271 0.361 963 HG23 ILE 134 HG23 ILE 134 3.388 -5.122 1.841 964 HD11 ILE 134 HD11 ILE 134 3.210 -0.237 2.549 965 HD12 ILE 134 HD12 ILE 134 4.367 0.279 1.322 966 HD13 ILE 134 HD13 ILE 134 4.899 -0.729 2.667 967 H TYR 135 H TYR 135 0.033 -4.518 2.013 968 HA TYR 135 HA TYR 135 0.502 -6.167 4.390 969 HB2 TYR 135 HB2 TYR 135 -1.752 -6.390 2.382 970 HB3 TYR 135 HB3 TYR 135 -1.666 -7.147 3.966 971 HD1 TYR 135 HD2 TYR 135 -1.678 -5.592 6.015 972 HD2 TYR 135 HD1 TYR 135 -2.772 -4.317 2.105 973 HE1 TYR 135 HE2 TYR 135 -2.904 -3.692 6.983 974 HE2 TYR 135 HE1 TYR 135 -3.999 -2.413 3.061 975 HH TYR 135 HH TYR 135 -3.643 -1.373 6.215 976 H LEU 136 H LEU 136 2.378 -7.257 3.705 977 HA LEU 136 HA LEU 136 2.306 -8.620 1.137 978 HB2 LEU 136 HB2 LEU 136 4.653 -9.151 1.524 979 HB3 LEU 136 HB3 LEU 136 4.346 -7.433 1.656 980 HG LEU 136 HG LEU 136 4.442 -9.115 4.132 981 HD11 LEU 136 HD11 LEU 136 6.841 -8.677 4.292 982 HD12 LEU 136 HD12 LEU 136 6.823 -7.963 2.680 983 HD13 LEU 136 HD13 LEU 136 6.468 -9.678 2.889 984 HD21 LEU 136 HD21 LEU 136 5.236 -7.016 5.104 985 HD22 LEU 136 HD22 LEU 136 3.679 -6.805 4.302 986 HD23 LEU 136 HD23 LEU 136 5.157 -6.249 3.517 987 H ASP 137 H ASP 137 2.992 -10.837 0.950 988 HA ASP 137 HA ASP 137 2.722 -13.044 1.314 989 HB2 ASP 137 HB2 ASP 137 2.981 -12.215 4.210 990 HB3 ASP 137 HB3 ASP 137 2.890 -13.890 3.681 991 H ASN 138 H ASN 138 1.241 -14.662 2.657 992 HA ASN 138 HA ASN 138 -1.445 -13.480 2.632 993 HB2 ASN 138 HB2 ASN 138 -2.199 -15.921 2.541 994 HB3 ASN 138 HB3 ASN 138 -1.410 -15.288 1.104 995 HD21 ASN 138 HD21 ASN 138 -0.964 -17.411 0.463 996 HD22 ASN 138 HD22 ASN 138 0.336 -18.309 1.172 997 HA PRO 139 HA PRO 139 -1.536 -13.917 7.006 998 HB2 PRO 139 HB2 PRO 139 -4.445 -14.075 6.951 999 HB3 PRO 139 HB3 PRO 139 -3.416 -12.758 7.514 1000 HG2 PRO 139 HG2 PRO 139 -4.944 -12.584 5.273 1001 HG3 PRO 139 HG3 PRO 139 -3.412 -11.714 5.468 1002 HD2 PRO 139 HD2 PRO 139 -3.978 -14.240 3.965 1003 HD3 PRO 139 HD3 PRO 139 -2.938 -12.870 3.517 1004 H ALA 140 H ALA 140 -1.798 -15.438 8.589 1005 HA ALA 140 HA ALA 140 -2.261 -17.359 9.683 1006 HB1 ALA 140 HB1 ALA 140 -4.173 -18.709 9.078 1007 HB2 ALA 140 HB2 ALA 140 -4.293 -17.884 7.524 1008 HB3 ALA 140 HB3 ALA 140 -4.588 -16.995 9.019 1009 H GLU 141 H GLU 141 -1.866 -17.653 6.213 1010 HA GLU 141 HA GLU 141 -1.093 -20.424 6.301 1011 HB2 GLU 141 HB2 GLU 141 -0.661 -18.486 4.026 1012 HB3 GLU 141 HB3 GLU 141 -0.767 -20.236 3.936 1013 HG2 GLU 141 HG2 GLU 141 -3.028 -18.397 4.683 1014 HG3 GLU 141 HG3 GLU 141 -2.780 -19.125 3.097 1015 H THR 142 H THR 142 0.478 -17.421 6.701 1016 HA THR 142 HA THR 142 3.125 -18.312 5.966 1017 HB THR 142 HB THR 142 3.549 -15.980 7.179 1018 HG1 THR 142 HG1 THR 142 1.099 -15.249 6.189 1019 HG21 THR 142 HG21 THR 142 3.203 -14.863 5.033 1020 HG22 THR 142 HG22 THR 142 2.237 -16.228 4.473 1021 HG23 THR 142 HG23 THR 142 3.958 -16.439 4.802 1022 H ALA 143 H ALA 143 1.233 -18.991 8.505 1023 HA ALA 143 HA ALA 143 1.564 -19.823 10.589 1024 HB1 ALA 143 HB1 ALA 143 3.784 -20.260 11.453 1025 HB2 ALA 143 HB2 ALA 143 4.498 -19.304 10.154 1026 HB3 ALA 143 HB3 ALA 143 3.655 -20.809 9.782 1027 HA PRO 144 HA PRO 144 1.371 -16.334 13.282 1028 HB2 PRO 144 HB2 PRO 144 2.695 -18.102 15.271 1029 HB3 PRO 144 HB3 PRO 144 1.195 -17.176 15.407 1030 HG2 PRO 144 HG2 PRO 144 1.145 -19.818 15.070 1031 HG3 PRO 144 HG3 PRO 144 -0.046 -18.769 14.281 1032 HD2 PRO 144 HD2 PRO 144 2.332 -20.141 13.120 1033 HD3 PRO 144 HD3 PRO 144 0.747 -19.810 12.398 1034 H ASP 145 H ASP 145 2.618 -14.744 13.958 1035 HA ASP 145 HA ASP 145 4.402 -13.500 14.652 1036 HB2 ASP 145 HB2 ASP 145 5.129 -15.402 16.003 1037 HB3 ASP 145 HB3 ASP 145 5.920 -16.117 14.608 1038 H GLN 146 H GLN 146 4.402 -15.336 11.776 1039 HA GLN 146 HA GLN 146 6.703 -13.855 10.728 1040 HB2 GLN 146 HB2 GLN 146 5.263 -16.293 9.697 1041 HB3 GLN 146 HB3 GLN 146 6.537 -15.469 8.806 1042 HG2 GLN 146 HG2 GLN 146 8.054 -15.872 10.740 1043 HG3 GLN 146 HG3 GLN 146 6.778 -16.836 11.479 1044 HE21 GLN 146 HE21 GLN 146 6.303 -18.853 10.651 1045 HE22 GLN 146 HE22 GLN 146 7.329 -19.652 9.505 1046 H LEU 147 H LEU 147 3.848 -12.854 11.105 1047 HA LEU 147 HA LEU 147 3.230 -12.119 8.343 1048 HB2 LEU 147 HB2 LEU 147 1.746 -11.943 10.923 1049 HB3 LEU 147 HB3 LEU 147 1.348 -10.799 9.658 1050 HG LEU 147 HG LEU 147 -0.192 -12.601 9.494 1051 HD11 LEU 147 HD11 LEU 147 0.568 -11.748 7.375 1052 HD12 LEU 147 HD12 LEU 147 0.272 -13.482 7.256 1053 HD13 LEU 147 HD13 LEU 147 1.923 -12.876 7.378 1054 HD21 LEU 147 HD21 LEU 147 2.182 -14.451 9.442 1055 HD22 LEU 147 HD22 LEU 147 0.501 -14.928 9.205 1056 HD23 LEU 147 HD23 LEU 147 1.021 -14.278 10.759 1057 H ARG 148 H ARG 148 3.525 -10.093 7.519 1058 HA ARG 148 HA ARG 148 4.673 -8.086 9.344 1059 HB2 ARG 148 HB2 ARG 148 5.492 -8.478 6.463 1060 HB3 ARG 148 HB3 ARG 148 6.173 -7.331 7.602 1061 HG2 ARG 148 HG2 ARG 148 7.777 -8.918 7.693 1062 HG3 ARG 148 HG3 ARG 148 6.705 -9.555 8.940 1063 HD2 ARG 148 HD2 ARG 148 5.708 -11.083 7.342 1064 HD3 ARG 148 HD3 ARG 148 6.691 -10.403 6.045 1065 HE ARG 148 HE ARG 148 8.314 -11.334 8.180 1066 HH11 ARG 148 HH11 ARG 148 6.462 -12.451 5.402 1067 HH12 ARG 148 HH12 ARG 148 7.384 -13.913 5.231 1068 HH21 ARG 148 HH21 ARG 148 9.515 -13.236 7.945 1069 HH22 ARG 148 HH22 ARG 148 9.129 -14.362 6.679 1070 H THR 149 H THR 149 3.569 -6.244 9.381 1071 HA THR 149 HA THR 149 2.084 -5.458 6.960 1072 HB THR 149 HB THR 149 1.664 -4.361 9.747 1073 HG1 THR 149 HG1 THR 149 1.161 -6.603 9.702 1074 HG21 THR 149 HG21 THR 149 0.869 -2.954 7.901 1075 HG22 THR 149 HG22 THR 149 -0.481 -3.609 8.830 1076 HG23 THR 149 HG23 THR 149 -0.063 -4.311 7.266 1077 H ARG 150 H ARG 150 3.482 -4.218 5.798 1078 HA ARG 150 HA ARG 150 5.415 -2.549 7.170 1079 HB2 ARG 150 HB2 ARG 150 4.906 -3.005 4.227 1080 HB3 ARG 150 HB3 ARG 150 6.175 -1.965 4.857 1081 HG2 ARG 150 HG2 ARG 150 7.184 -3.894 5.982 1082 HG3 ARG 150 HG3 ARG 150 5.923 -4.932 5.309 1083 HD2 ARG 150 HD2 ARG 150 6.647 -4.275 3.040 1084 HD3 ARG 150 HD3 ARG 150 7.950 -3.328 3.756 1085 HE ARG 150 HE ARG 150 8.253 -5.864 4.773 1086 HH11 ARG 150 HH11 ARG 150 8.192 -4.428 1.579 1087 HH12 ARG 150 HH12 ARG 150 9.231 -5.629 0.874 1088 HH21 ARG 150 HH21 ARG 150 9.587 -7.447 3.858 1089 HH22 ARG 150 HH22 ARG 150 10.000 -7.374 2.167 1090 H VAL 151 H VAL 151 4.318 -0.912 8.143 1091 HA VAL 151 HA VAL 151 2.515 0.714 6.538 1092 HB VAL 151 HB VAL 151 1.710 0.247 8.744 1093 HG11 VAL 151 HG11 VAL 151 2.901 0.933 10.775 1094 HG12 VAL 151 HG12 VAL 151 4.278 1.426 9.790 1095 HG13 VAL 151 HG13 VAL 151 3.801 -0.271 9.852 1096 HG21 VAL 151 HG21 VAL 151 2.684 3.097 8.591 1097 HG22 VAL 151 HG22 VAL 151 1.402 2.511 9.651 1098 HG23 VAL 151 HG23 VAL 151 1.191 2.462 7.900 1099 H SER 152 H SER 152 3.334 2.262 5.321 1100 HA SER 152 HA SER 152 5.754 3.660 6.255 1101 HB2 SER 152 HB2 SER 152 5.934 2.448 4.057 1102 HB3 SER 152 HB3 SER 152 4.690 3.524 3.421 1103 HG SER 152 HG SER 152 6.972 4.613 4.649 1104 H LEU 153 H LEU 153 5.682 5.873 6.512 1105 HA LEU 153 HA LEU 153 3.020 7.065 6.039 1106 HB2 LEU 153 HB2 LEU 153 3.385 8.272 8.266 1107 HB3 LEU 153 HB3 LEU 153 2.836 6.612 8.282 1108 HG LEU 153 HG LEU 153 5.134 5.869 8.822 1109 HD11 LEU 153 HD11 LEU 153 5.748 8.812 9.040 1110 HD12 LEU 153 HD12 LEU 153 6.380 7.721 7.807 1111 HD13 LEU 153 HD13 LEU 153 6.816 7.487 9.500 1112 HD21 LEU 153 HD21 LEU 153 3.997 7.966 10.655 1113 HD22 LEU 153 HD22 LEU 153 5.154 6.716 11.114 1114 HD23 LEU 153 HD23 LEU 153 3.529 6.267 10.593 1115 H MET 154 H MET 154 3.009 9.472 6.563 1116 HA MET 154 HA MET 154 5.050 10.821 5.079 1117 HB2 MET 154 HB2 MET 154 2.643 11.570 5.190 1118 HB3 MET 154 HB3 MET 154 2.929 12.039 6.863 1119 HG2 MET 154 HG2 MET 154 4.703 13.568 6.085 1120 HG3 MET 154 HG3 MET 154 4.290 13.156 4.425 1121 HE1 MET 154 HE1 MET 154 3.124 14.867 7.736 1122 HE2 MET 154 HE2 MET 154 1.859 13.662 7.488 1123 HE3 MET 154 HE3 MET 154 1.483 15.378 7.333 1124 H LEU 155 H LEU 155 6.970 10.413 6.180 1125 HA LEU 155 HA LEU 155 7.191 10.990 8.983 1126 HB2 LEU 155 HB2 LEU 155 9.493 10.365 8.790 1127 HB3 LEU 155 HB3 LEU 155 8.461 9.195 8.005 1128 HG LEU 155 HG LEU 155 9.895 11.309 6.416 1129 HD11 LEU 155 HD11 LEU 155 10.924 8.589 7.223 1130 HD12 LEU 155 HD12 LEU 155 11.598 10.151 7.696 1131 HD13 LEU 155 HD13 LEU 155 11.656 9.638 6.009 1132 HD21 LEU 155 HD21 LEU 155 8.100 10.089 5.303 1133 HD22 LEU 155 HD22 LEU 155 8.859 8.559 5.740 1134 HD23 LEU 155 HD23 LEU 155 9.670 9.661 4.625 1135 H HIS 156 H HIS 156 6.279 13.128 7.776 1136 HA HIS 156 HA HIS 156 8.255 15.119 7.215 1137 HB2 HIS 156 HB2 HIS 156 5.664 15.028 6.687 1138 HB3 HIS 156 HB3 HIS 156 5.525 15.779 8.271 1139 HD1 HIS 156 HD1 HIS 156 5.951 18.253 8.420 1140 HD2 HIS 156 HD2 HIS 156 7.077 16.629 4.756 1141 HE1 HIS 156 HE1 HIS 156 6.407 20.214 6.912 1142 HE2 HIS 156 HE2 HIS 156 6.867 19.206 4.652 1143 H GLU 157 H GLU 157 5.940 14.951 9.897 1144 HA GLU 157 HA GLU 157 8.139 15.070 11.816 1145 HB2 GLU 157 HB2 GLU 157 5.651 16.787 11.984 1146 HB3 GLU 157 HB3 GLU 157 6.791 16.564 13.298 1147 HG2 GLU 157 HG2 GLU 157 7.529 18.539 12.480 1148 HG3 GLU 157 HG3 GLU 157 8.504 17.443 11.502 1149 H SER 158 H SER 158 4.728 14.469 11.157 1150 HA SER 158 HA SER 158 4.716 12.107 12.772 1151 HB2 SER 158 HB2 SER 158 2.892 12.970 14.303 1152 HB3 SER 158 HB3 SER 158 4.490 13.662 14.587 1153 HG SER 158 HG SER 158 3.278 15.441 14.491 1154 H LEU 159 H LEU 159 2.260 14.505 11.913 1155 HA LEU 159 HA LEU 159 0.921 12.908 9.977 1156 HB2 LEU 159 HB2 LEU 159 0.425 11.649 12.086 1157 HB3 LEU 159 HB3 LEU 159 -0.319 13.091 12.738 1158 HG LEU 159 HG LEU 159 -1.864 11.264 11.856 1159 HD11 LEU 159 HD11 LEU 159 -3.480 12.843 10.978 1160 HD12 LEU 159 HD12 LEU 159 -2.205 14.039 10.736 1161 HD13 LEU 159 HD13 LEU 159 -2.635 13.525 12.368 1162 HD21 LEU 159 HD21 LEU 159 -1.009 12.412 9.205 1163 HD22 LEU 159 HD22 LEU 159 -2.306 11.246 9.473 1164 HD23 LEU 159 HD23 LEU 159 -0.632 10.793 9.799 1165 H GLU 160 H GLU 160 0.818 15.446 12.410 1166 HA GLU 160 HA GLU 160 -1.284 16.968 11.335 1167 HB2 GLU 160 HB2 GLU 160 1.126 17.889 12.909 1168 HB3 GLU 160 HB3 GLU 160 -0.308 18.857 12.599 1169 HG2 GLU 160 HG2 GLU 160 -1.647 17.158 13.807 1170 HG3 GLU 160 HG3 GLU 160 -0.142 16.337 14.223 1171 H HIS 161 H HIS 161 -1.407 18.326 9.665 1172 HA HIS 161 HA HIS 161 0.800 18.646 7.888 1173 HB2 HIS 161 HB2 HIS 161 -0.759 20.249 6.687 1174 HB3 HIS 161 HB3 HIS 161 -1.344 18.602 6.867 1175 HD1 HIS 161 HD1 HIS 161 -3.298 18.228 8.616 1176 HD2 HIS 161 HD2 HIS 161 -2.330 22.204 7.846 1177 HE1 HIS 161 HE1 HIS 161 -5.218 19.585 9.510 1178 HE2 HIS 161 HE2 HIS 161 -4.515 21.988 9.219 1179 H HIS 162 H HIS 162 2.483 19.667 8.779 1180 HA HIS 162 HA HIS 162 2.399 22.491 9.144 1181 HB2 HIS 162 HB2 HIS 162 2.847 22.658 11.480 1182 HB3 HIS 162 HB3 HIS 162 1.454 21.599 11.335 1183 HD1 HIS 162 HD1 HIS 162 2.510 18.859 11.114 1184 HD2 HIS 162 HD2 HIS 162 4.418 21.735 13.430 1185 HE1 HIS 162 HE1 HIS 162 3.877 17.581 12.790 1186 HE2 HIS 162 HE2 HIS 162 4.803 19.345 14.335 1187 H HIS 163 H HIS 163 4.761 22.968 10.423 1188 HA HIS 163 HA HIS 163 6.706 21.063 9.353 1189 HB2 HIS 163 HB2 HIS 163 6.171 22.929 7.652 1190 HB3 HIS 163 HB3 HIS 163 7.042 23.995 8.750 1191 HD1 HIS 163 HD1 HIS 163 8.902 24.380 6.977 1192 HD2 HIS 163 HD2 HIS 163 8.456 20.422 8.177 1193 HE1 HIS 163 HE1 HIS 163 10.899 23.162 6.053 1194 HE2 HIS 163 HE2 HIS 163 10.722 20.828 7.005 1195 H HIS 164 H HIS 164 7.771 20.542 11.142 1196 HA HIS 164 HA HIS 164 8.638 22.732 12.933 1197 HB2 HIS 164 HB2 HIS 164 6.796 21.096 13.784 1198 HB3 HIS 164 HB3 HIS 164 8.117 19.944 13.939 1199 HD1 HIS 164 HD1 HIS 164 6.533 22.817 15.583 1200 HD2 HIS 164 HD2 HIS 164 10.125 20.736 15.867 1201 HE1 HIS 164 HE1 HIS 164 7.546 23.505 17.782 1202 HE2 HIS 164 HE2 HIS 164 9.698 22.200 17.963 1203 H HIS 165 H HIS 165 10.163 22.029 10.852 1204 HA HIS 165 HA HIS 165 12.613 21.271 12.054 1205 HB2 HIS 165 HB2 HIS 165 11.516 19.014 11.730 1206 HB3 HIS 165 HB3 HIS 165 11.506 19.332 10.000 1207 HD1 HIS 165 HD1 HIS 165 13.650 18.909 8.725 1208 HD2 HIS 165 HD2 HIS 165 14.101 18.575 12.845 1209 HE1 HIS 165 HE1 HIS 165 15.938 17.930 9.076 1210 HE2 HIS 165 HE2 HIS 165 16.127 17.582 11.565 1211 H HIS 166 H HIS 166 14.393 21.645 10.532 1212 HA HIS 166 HA HIS 166 13.592 22.611 7.896 1213 HB2 HIS 166 HB2 HIS 166 13.700 24.490 9.736 1214 HB3 HIS 166 HB3 HIS 166 15.438 24.344 9.495 1215 HD1 HIS 166 HD1 HIS 166 16.305 25.950 7.829 1216 HD2 HIS 166 HD2 HIS 166 12.366 24.868 7.042 1217 HE1 HIS 166 HE1 HIS 166 15.621 27.293 5.813 1218 HE2 HIS 166 HE2 HIS 166 13.163 26.796 5.512 Start of MODEL 5 1 H1 MET 1 H1 MET 1 1.318 1.088 28.405 2 H2 MET 1 H2 MET 1 0.805 -0.527 28.479 3 H3 MET 1 H3 MET 1 -0.338 0.726 28.505 4 HA MET 1 HA MET 1 -0.346 -0.258 26.358 5 HB2 MET 1 HB2 MET 1 -0.642 2.184 26.531 6 HB3 MET 1 HB3 MET 1 1.091 2.402 26.341 7 HG2 MET 1 HG2 MET 1 0.972 1.448 24.099 8 HG3 MET 1 HG3 MET 1 -0.762 1.204 24.293 9 HE1 MET 1 HE1 MET 1 1.219 5.379 24.176 10 HE2 MET 1 HE2 MET 1 2.120 3.867 24.068 11 HE3 MET 1 HE3 MET 1 1.316 4.307 25.574 12 H ASP 2 H ASP 2 2.841 0.440 27.576 13 HA ASP 2 HA ASP 2 4.171 -0.519 25.195 14 HB2 ASP 2 HB2 ASP 2 5.186 0.249 27.932 15 HB3 ASP 2 HB3 ASP 2 6.227 -0.336 26.643 16 H PHE 3 H PHE 3 3.889 -2.652 24.808 17 HA PHE 3 HA PHE 3 5.031 -4.435 26.790 18 HB2 PHE 3 HB2 PHE 3 3.211 -6.060 26.654 19 HB3 PHE 3 HB3 PHE 3 2.657 -4.527 27.303 20 HD1 PHE 3 HD2 PHE 3 1.403 -2.956 25.716 21 HD2 PHE 3 HD1 PHE 3 2.128 -7.062 24.862 22 HE1 PHE 3 HE2 PHE 3 -0.425 -2.935 24.071 23 HE2 PHE 3 HE1 PHE 3 0.298 -7.047 23.219 24 HZ PHE 3 HZ PHE 3 -0.979 -4.981 22.822 25 H GLU 4 H GLU 4 6.761 -4.812 25.566 26 HA GLU 4 HA GLU 4 8.079 -5.653 23.913 27 HB2 GLU 4 HB2 GLU 4 7.248 -7.661 25.066 28 HB3 GLU 4 HB3 GLU 4 5.916 -7.761 23.923 29 HG2 GLU 4 HG2 GLU 4 7.432 -8.192 22.112 30 HG3 GLU 4 HG3 GLU 4 8.822 -7.926 23.162 31 H CYS 5 H CYS 5 7.655 -3.902 22.431 32 HA CYS 5 HA CYS 5 5.940 -4.718 20.181 33 HB2 CYS 5 HB2 CYS 5 6.632 -1.912 21.080 34 HB3 CYS 5 HB3 CYS 5 5.606 -2.332 19.709 35 HG CYS 5 HG CYS 5 4.357 -3.901 22.252 36 H GLN 6 H GLN 6 7.548 -5.813 19.092 37 HA GLN 6 HA GLN 6 9.962 -4.330 18.359 38 HB2 GLN 6 HB2 GLN 6 9.252 -7.245 17.994 39 HB3 GLN 6 HB3 GLN 6 10.777 -6.512 17.516 40 HG2 GLN 6 HG2 GLN 6 11.324 -6.026 19.802 41 HG3 GLN 6 HG3 GLN 6 9.740 -6.582 20.341 42 HE21 GLN 6 HE21 GLN 6 12.402 -7.494 21.098 43 HE22 GLN 6 HE22 GLN 6 12.456 -9.187 20.732 44 H PHE 7 H PHE 7 9.391 -2.980 16.747 45 HA PHE 7 HA PHE 7 8.433 -4.233 14.261 46 HB2 PHE 7 HB2 PHE 7 7.664 -1.470 15.236 47 HB3 PHE 7 HB3 PHE 7 7.154 -2.219 13.727 48 HD1 PHE 7 HD1 PHE 7 5.908 -4.516 13.999 49 HD2 PHE 7 HD2 PHE 7 6.268 -1.580 17.060 50 HE1 PHE 7 HE1 PHE 7 3.947 -5.468 15.141 51 HE2 PHE 7 HE2 PHE 7 4.307 -2.527 18.202 52 HZ PHE 7 HZ PHE 7 3.145 -4.474 17.244 53 H VAL 8 H VAL 8 10.194 -4.256 13.024 54 HA VAL 8 HA VAL 8 12.276 -2.318 13.353 55 HB VAL 8 HB VAL 8 12.883 -4.602 12.859 56 HG11 VAL 8 HG11 VAL 8 10.966 -5.295 11.559 57 HG12 VAL 8 HG12 VAL 8 12.453 -5.617 10.665 58 HG13 VAL 8 HG13 VAL 8 11.448 -4.231 10.239 59 HG21 VAL 8 HG21 VAL 8 14.407 -2.859 12.117 60 HG22 VAL 8 HG22 VAL 8 13.566 -2.764 10.570 61 HG23 VAL 8 HG23 VAL 8 14.443 -4.230 11.006 62 H CYS 9 H CYS 9 12.138 -0.356 12.597 63 HA CYS 9 HA CYS 9 10.692 0.162 10.101 64 HB2 CYS 9 HB2 CYS 9 11.016 2.603 10.974 65 HB3 CYS 9 HB3 CYS 9 9.803 1.569 11.721 66 HG CYS 9 HG CYS 9 10.776 2.685 13.929 67 H GLU 10 H GLU 10 11.646 1.414 8.442 68 HA GLU 10 HA GLU 10 14.441 2.145 8.639 69 HB2 GLU 10 HB2 GLU 10 14.357 -0.347 8.090 70 HB3 GLU 10 HB3 GLU 10 13.635 0.111 6.555 71 HG2 GLU 10 HG2 GLU 10 15.658 1.525 6.133 72 HG3 GLU 10 HG3 GLU 10 16.379 0.796 7.567 73 H LEU 11 H LEU 11 15.171 3.293 6.692 74 HA LEU 11 HA LEU 11 13.006 4.715 5.374 75 HB2 LEU 11 HB2 LEU 11 14.970 5.958 6.174 76 HB3 LEU 11 HB3 LEU 11 16.007 5.007 5.129 77 HG LEU 11 HG LEU 11 14.669 5.932 3.176 78 HD11 LEU 11 HD11 LEU 11 12.725 6.691 4.411 79 HD12 LEU 11 HD12 LEU 11 13.493 8.044 3.578 80 HD13 LEU 11 HD13 LEU 11 13.720 7.832 5.315 81 HD21 LEU 11 HD21 LEU 11 16.915 6.701 3.686 82 HD22 LEU 11 HD22 LEU 11 16.278 7.834 4.876 83 HD23 LEU 11 HD23 LEU 11 15.905 8.054 3.166 84 H LYS 12 H LYS 12 12.107 3.758 3.669 85 HA LYS 12 HA LYS 12 13.869 2.300 1.816 86 HB2 LYS 12 HB2 LYS 12 11.070 1.708 2.720 87 HB3 LYS 12 HB3 LYS 12 11.648 1.119 1.166 88 HG2 LYS 12 HG2 LYS 12 12.897 0.534 3.845 89 HG3 LYS 12 HG3 LYS 12 11.890 -0.570 2.904 90 HD2 LYS 12 HD2 LYS 12 13.524 -0.512 1.082 91 HD3 LYS 12 HD3 LYS 12 14.528 0.596 2.017 92 HE2 LYS 12 HE2 LYS 12 14.791 -1.121 3.748 93 HE3 LYS 12 HE3 LYS 12 13.807 -2.227 2.789 94 HZ1 LYS 12 HZ1 LYS 12 16.197 -2.611 2.507 95 HZ2 LYS 12 HZ2 LYS 12 16.384 -1.038 1.908 96 HZ3 LYS 12 HZ3 LYS 12 15.457 -2.167 1.046 97 H GLU 13 H GLU 13 13.667 2.660 -0.351 98 HA GLU 13 HA GLU 13 12.063 5.004 -1.062 99 HB2 GLU 13 HB2 GLU 13 13.482 5.212 -3.033 100 HB3 GLU 13 HB3 GLU 13 14.465 5.155 -1.579 101 HG2 GLU 13 HG2 GLU 13 15.002 2.825 -2.014 102 HG3 GLU 13 HG3 GLU 13 13.982 2.850 -3.452 103 H LEU 14 H LEU 14 10.462 4.899 -2.519 104 HA LEU 14 HA LEU 14 9.615 2.211 -3.277 105 HB2 LEU 14 HB2 LEU 14 8.168 4.861 -3.273 106 HB3 LEU 14 HB3 LEU 14 7.471 3.389 -3.917 107 HG LEU 14 HG LEU 14 6.559 3.643 -1.761 108 HD11 LEU 14 HD11 LEU 14 7.468 1.731 -0.492 109 HD12 LEU 14 HD12 LEU 14 8.828 1.672 -1.613 110 HD13 LEU 14 HD13 LEU 14 7.192 1.372 -2.197 111 HD21 LEU 14 HD21 LEU 14 9.356 4.102 -0.736 112 HD22 LEU 14 HD22 LEU 14 7.912 3.962 0.264 113 HD23 LEU 14 HD23 LEU 14 8.074 5.307 -0.866 114 H ALA 15 H ALA 15 10.168 1.484 -5.194 115 HA ALA 15 HA ALA 15 10.832 3.236 -7.381 116 HB1 ALA 15 HB1 ALA 15 11.165 1.160 -8.647 117 HB2 ALA 15 HB2 ALA 15 10.477 0.236 -7.312 118 HB3 ALA 15 HB3 ALA 15 12.000 1.099 -7.094 119 HA PRO 16 HA PRO 16 6.765 3.514 -9.118 120 HB2 PRO 16 HB2 PRO 16 7.855 3.425 -11.825 121 HB3 PRO 16 HB3 PRO 16 7.105 4.776 -10.973 122 HG2 PRO 16 HG2 PRO 16 9.754 4.681 -11.572 123 HG3 PRO 16 HG3 PRO 16 9.106 5.543 -10.165 124 HD2 PRO 16 HD2 PRO 16 10.453 2.878 -10.305 125 HD3 PRO 16 HD3 PRO 16 10.578 4.146 -9.066 126 H VAL 17 H VAL 17 5.756 1.607 -8.733 127 HA VAL 17 HA VAL 17 6.363 -0.691 -10.471 128 HB VAL 17 HB VAL 17 4.827 -0.545 -7.857 129 HG11 VAL 17 HG11 VAL 17 4.875 -2.973 -7.859 130 HG12 VAL 17 HG12 VAL 17 5.673 -2.970 -9.432 131 HG13 VAL 17 HG13 VAL 17 4.025 -2.362 -9.279 132 HG21 VAL 17 HG21 VAL 17 7.209 -0.138 -7.556 133 HG22 VAL 17 HG22 VAL 17 7.585 -1.618 -8.439 134 HG23 VAL 17 HG23 VAL 17 6.750 -1.706 -6.889 135 HA PRO 18 HA PRO 18 2.451 -0.055 -12.546 136 HB2 PRO 18 HB2 PRO 18 2.529 -2.918 -13.200 137 HB3 PRO 18 HB3 PRO 18 2.590 -1.521 -14.278 138 HG2 PRO 18 HG2 PRO 18 4.743 -3.080 -13.851 139 HG3 PRO 18 HG3 PRO 18 4.884 -1.333 -14.124 140 HD2 PRO 18 HD2 PRO 18 4.988 -2.861 -11.547 141 HD3 PRO 18 HD3 PRO 18 6.000 -1.506 -12.094 142 H ALA 19 H ALA 19 0.734 0.177 -11.274 143 HA ALA 19 HA ALA 19 -0.272 -2.190 -9.833 144 HB1 ALA 19 HB1 ALA 19 -0.507 0.711 -9.023 145 HB2 ALA 19 HB2 ALA 19 0.569 -0.482 -8.292 146 HB3 ALA 19 HB3 ALA 19 -1.180 -0.666 -8.148 147 H LEU 20 H LEU 20 -2.615 -2.256 -9.570 148 HA LEU 20 HA LEU 20 -4.067 -0.668 -11.580 149 HB2 LEU 20 HB2 LEU 20 -3.721 -3.457 -11.594 150 HB3 LEU 20 HB3 LEU 20 -5.363 -3.183 -11.039 151 HG LEU 20 HG LEU 20 -5.586 -1.633 -13.085 152 HD11 LEU 20 HD11 LEU 20 -4.146 -2.208 -14.968 153 HD12 LEU 20 HD12 LEU 20 -3.192 -3.260 -13.922 154 HD13 LEU 20 HD13 LEU 20 -3.219 -1.520 -13.635 155 HD21 LEU 20 HD21 LEU 20 -5.321 -4.613 -13.424 156 HD22 LEU 20 HD22 LEU 20 -6.182 -3.525 -14.513 157 HD23 LEU 20 HD23 LEU 20 -6.748 -3.748 -12.858 158 H LEU 21 H LEU 21 -5.877 0.299 -10.885 159 HA LEU 21 HA LEU 21 -7.393 -0.485 -8.639 160 HB2 LEU 21 HB2 LEU 21 -6.697 1.448 -7.152 161 HB3 LEU 21 HB3 LEU 21 -5.594 0.091 -7.241 162 HG LEU 21 HG LEU 21 -4.371 1.514 -9.046 163 HD11 LEU 21 HD11 LEU 21 -5.865 3.673 -7.567 164 HD12 LEU 21 HD12 LEU 21 -6.073 3.243 -9.264 165 HD13 LEU 21 HD13 LEU 21 -4.542 3.919 -8.709 166 HD21 LEU 21 HD21 LEU 21 -3.425 0.910 -6.895 167 HD22 LEU 21 HD22 LEU 21 -4.296 2.235 -6.120 168 HD23 LEU 21 HD23 LEU 21 -3.030 2.581 -7.299 169 H ILE 22 H ILE 22 -8.965 1.180 -7.986 170 HA ILE 22 HA ILE 22 -9.142 3.412 -9.886 171 HB ILE 22 HB ILE 22 -11.156 2.072 -10.055 172 HG12 ILE 22 HG12 ILE 22 -11.646 4.600 -8.462 173 HG13 ILE 22 HG13 ILE 22 -11.401 4.507 -10.202 174 HG21 ILE 22 HG21 ILE 22 -11.466 2.432 -7.076 175 HG22 ILE 22 HG22 ILE 22 -11.082 0.928 -7.908 176 HG23 ILE 22 HG23 ILE 22 -12.652 1.692 -8.150 177 HD11 ILE 22 HD11 ILE 22 -13.710 3.346 -8.664 178 HD12 ILE 22 HD12 ILE 22 -13.462 3.194 -10.403 179 HD13 ILE 22 HD13 ILE 22 -13.744 4.783 -9.689 180 H ARG 23 H ARG 23 -8.468 5.253 -9.031 181 HA ARG 23 HA ARG 23 -8.170 5.490 -6.178 182 HB2 ARG 23 HB2 ARG 23 -7.248 7.750 -6.703 183 HB3 ARG 23 HB3 ARG 23 -6.407 6.434 -7.507 184 HG2 ARG 23 HG2 ARG 23 -7.555 6.942 -9.586 185 HG3 ARG 23 HG3 ARG 23 -8.472 8.218 -8.784 186 HD2 ARG 23 HD2 ARG 23 -5.473 8.136 -9.105 187 HD3 ARG 23 HD3 ARG 23 -6.583 9.125 -10.051 188 HE ARG 23 HE ARG 23 -6.975 9.664 -7.322 189 HH11 ARG 23 HH11 ARG 23 -4.639 10.204 -9.878 190 HH12 ARG 23 HH12 ARG 23 -3.962 11.615 -9.124 191 HH21 ARG 23 HH21 ARG 23 -6.124 11.538 -6.350 192 HH22 ARG 23 HH22 ARG 23 -4.807 12.391 -7.119 193 H THR 24 H THR 24 -9.665 6.218 -4.864 194 HA THR 24 HA THR 24 -11.706 8.024 -5.933 195 HB THR 24 HB THR 24 -12.716 5.822 -6.083 196 HG1 THR 24 HG1 THR 24 -13.737 7.224 -3.813 197 HG21 THR 24 HG21 THR 24 -12.108 5.549 -3.134 198 HG22 THR 24 HG22 THR 24 -11.352 4.634 -4.438 199 HG23 THR 24 HG23 THR 24 -13.068 4.424 -4.096 200 H GLN 25 H GLN 25 -12.503 9.483 -4.462 201 HA GLN 25 HA GLN 25 -11.137 9.652 -1.940 202 HB2 GLN 25 HB2 GLN 25 -12.869 11.591 -1.618 203 HB3 GLN 25 HB3 GLN 25 -11.506 11.781 -2.702 204 HG2 GLN 25 HG2 GLN 25 -13.467 12.705 -3.715 205 HG3 GLN 25 HG3 GLN 25 -12.980 11.267 -4.605 206 HE21 GLN 25 HE21 GLN 25 -14.376 9.607 -4.806 207 HE22 GLN 25 HE22 GLN 25 -15.973 9.590 -4.131 208 H THR 26 H THR 26 -12.084 9.508 0.116 209 HA THR 26 HA THR 26 -14.346 7.648 0.147 210 HB THR 26 HB THR 26 -12.260 6.930 1.278 211 HG1 THR 26 HG1 THR 26 -13.578 5.858 2.516 212 HG21 THR 26 HG21 THR 26 -12.853 9.209 3.171 213 HG22 THR 26 HG22 THR 26 -11.466 9.087 2.089 214 HG23 THR 26 HG23 THR 26 -11.640 7.954 3.428 215 H ALA 27 H ALA 27 -16.102 7.964 1.597 216 HA ALA 27 HA ALA 27 -16.429 10.644 2.683 217 HB1 ALA 27 HB1 ALA 27 -17.134 10.822 0.332 218 HB2 ALA 27 HB2 ALA 27 -18.476 11.072 1.448 219 HB3 ALA 27 HB3 ALA 27 -18.309 9.535 0.600 220 H MET 28 H MET 28 -18.133 10.857 4.118 221 HA MET 28 HA MET 28 -19.654 10.329 5.681 222 HB2 MET 28 HB2 MET 28 -20.403 8.131 3.758 223 HB3 MET 28 HB3 MET 28 -21.376 8.662 5.125 224 HG2 MET 28 HG2 MET 28 -20.633 10.277 2.698 225 HG3 MET 28 HG3 MET 28 -22.229 9.648 3.112 226 HE1 MET 28 HE1 MET 28 -21.366 12.745 2.374 227 HE2 MET 28 HE2 MET 28 -22.446 13.605 3.472 228 HE3 MET 28 HE3 MET 28 -23.029 12.202 2.573 229 H SER 29 H SER 29 -19.264 6.933 4.743 230 HA SER 29 HA SER 29 -17.931 6.433 7.314 231 HB2 SER 29 HB2 SER 29 -20.260 4.732 6.447 232 HB3 SER 29 HB3 SER 29 -19.551 4.894 8.052 233 HG SER 29 HG SER 29 -21.394 6.508 6.736 234 H GLU 30 H GLU 30 -17.523 6.216 4.224 235 HA GLU 30 HA GLU 30 -17.412 3.376 3.778 236 HB2 GLU 30 HB2 GLU 30 -17.096 5.818 2.127 237 HB3 GLU 30 HB3 GLU 30 -16.346 4.340 1.539 238 HG2 GLU 30 HG2 GLU 30 -18.696 4.840 0.735 239 HG3 GLU 30 HG3 GLU 30 -18.391 3.225 1.370 240 H LEU 31 H LEU 31 -15.510 4.624 5.748 241 HA LEU 31 HA LEU 31 -12.927 4.021 4.657 242 HB2 LEU 31 HB2 LEU 31 -13.987 4.599 7.380 243 HB3 LEU 31 HB3 LEU 31 -12.455 3.756 7.260 244 HG LEU 31 HG LEU 31 -11.582 5.626 5.872 245 HD11 LEU 31 HD11 LEU 31 -12.789 7.736 5.823 246 HD12 LEU 31 HD12 LEU 31 -14.161 6.980 6.636 247 HD13 LEU 31 HD13 LEU 31 -13.702 6.462 5.014 248 HD21 LEU 31 HD21 LEU 31 -11.138 5.512 8.266 249 HD22 LEU 31 HD22 LEU 31 -12.628 6.399 8.591 250 HD23 LEU 31 HD23 LEU 31 -11.305 7.184 7.727 251 H GLY 32 H GLY 32 -15.569 2.213 5.787 252 HA2 GLY 32 HA2 GLY 32 -13.895 -0.206 5.920 253 HA3 GLY 32 HA3 GLY 32 -15.495 -0.053 6.638 254 H SER 33 H SER 33 -17.001 0.967 4.639 255 HA SER 33 HA SER 33 -17.759 -1.263 3.202 256 HB2 SER 33 HB2 SER 33 -18.264 1.542 2.222 257 HB3 SER 33 HB3 SER 33 -19.318 0.134 2.104 258 HG SER 33 HG SER 33 -19.559 1.924 3.869 259 H LEU 34 H LEU 34 -15.756 1.456 2.117 260 HA LEU 34 HA LEU 34 -15.613 0.740 -0.595 261 HB2 LEU 34 HB2 LEU 34 -15.053 2.962 0.468 262 HB3 LEU 34 HB3 LEU 34 -13.545 2.257 1.000 263 HG LEU 34 HG LEU 34 -13.491 3.733 -1.076 264 HD11 LEU 34 HD11 LEU 34 -12.366 0.947 -1.283 265 HD12 LEU 34 HD12 LEU 34 -11.619 2.310 -0.452 266 HD13 LEU 34 HD13 LEU 34 -11.827 2.351 -2.203 267 HD21 LEU 34 HD21 LEU 34 -15.472 2.854 -2.172 268 HD22 LEU 34 HD22 LEU 34 -14.706 1.270 -2.312 269 HD23 LEU 34 HD23 LEU 34 -14.048 2.649 -3.194 270 H PHE 35 H PHE 35 -13.813 -0.299 2.197 271 HA PHE 35 HA PHE 35 -11.700 -1.501 0.639 272 HB2 PHE 35 HB2 PHE 35 -12.287 -1.530 3.611 273 HB3 PHE 35 HB3 PHE 35 -10.866 -2.261 2.873 274 HD1 PHE 35 HD1 PHE 35 -12.628 1.046 2.737 275 HD2 PHE 35 HD2 PHE 35 -8.938 -1.049 3.054 276 HE1 PHE 35 HE1 PHE 35 -11.432 3.188 2.907 277 HE2 PHE 35 HE2 PHE 35 -7.735 1.090 3.223 278 HZ PHE 35 HZ PHE 35 -8.982 3.215 3.150 279 H GLU 36 H GLU 36 -14.356 -2.613 2.723 280 HA GLU 36 HA GLU 36 -13.732 -5.359 2.483 281 HB2 GLU 36 HB2 GLU 36 -16.368 -4.071 3.210 282 HB3 GLU 36 HB3 GLU 36 -15.940 -5.755 3.478 283 HG2 GLU 36 HG2 GLU 36 -14.085 -4.996 4.937 284 HG3 GLU 36 HG3 GLU 36 -14.672 -3.346 4.747 285 H ALA 37 H ALA 37 -15.970 -3.285 0.678 286 HA ALA 37 HA ALA 37 -16.797 -5.550 -0.959 287 HB1 ALA 37 HB1 ALA 37 -18.317 -3.977 -2.035 288 HB2 ALA 37 HB2 ALA 37 -17.577 -2.639 -1.154 289 HB3 ALA 37 HB3 ALA 37 -18.468 -3.885 -0.279 290 H GLY 38 H GLY 38 -14.340 -3.261 -0.911 291 HA2 GLY 38 HA2 GLY 38 -14.129 -2.535 -3.620 292 HA3 GLY 38 HA3 GLY 38 -12.837 -2.454 -2.435 293 H TYR 39 H TYR 39 -12.277 -5.024 -1.818 294 HA TYR 39 HA TYR 39 -10.750 -5.715 -4.095 295 HB2 TYR 39 HB2 TYR 39 -9.914 -7.591 -2.800 296 HB3 TYR 39 HB3 TYR 39 -9.956 -6.139 -1.812 297 HD1 TYR 39 HD1 TYR 39 -11.437 -9.450 -2.363 298 HD2 TYR 39 HD2 TYR 39 -11.433 -5.982 0.105 299 HE1 TYR 39 HE1 TYR 39 -12.675 -10.686 -0.634 300 HE2 TYR 39 HE2 TYR 39 -12.671 -7.212 1.839 301 HH TYR 39 HH TYR 39 -13.008 -10.554 1.846 302 H HIS 40 H HIS 40 -13.892 -6.647 -3.099 303 HA HIS 40 HA HIS 40 -14.036 -9.106 -4.548 304 HB2 HIS 40 HB2 HIS 40 -15.592 -8.327 -2.669 305 HB3 HIS 40 HB3 HIS 40 -16.370 -7.308 -3.873 306 HD1 HIS 40 HD1 HIS 40 -17.324 -10.063 -2.231 307 HD2 HIS 40 HD2 HIS 40 -16.663 -9.493 -6.302 308 HE1 HIS 40 HE1 HIS 40 -18.650 -11.853 -3.397 309 HE2 HIS 40 HE2 HIS 40 -18.107 -11.594 -5.846 310 H ASP 41 H ASP 41 -14.777 -5.734 -5.244 311 HA ASP 41 HA ASP 41 -15.986 -6.211 -7.786 312 HB2 ASP 41 HB2 ASP 41 -16.370 -4.198 -6.318 313 HB3 ASP 41 HB3 ASP 41 -14.762 -3.642 -6.768 314 H ILE 42 H ILE 42 -12.772 -5.202 -6.714 315 HA ILE 42 HA ILE 42 -11.628 -4.625 -9.204 316 HB ILE 42 HB ILE 42 -10.184 -5.811 -6.826 317 HG12 ILE 42 HG12 ILE 42 -11.532 -3.846 -6.167 318 HG13 ILE 42 HG13 ILE 42 -9.806 -3.524 -6.066 319 HG21 ILE 42 HG21 ILE 42 -8.849 -5.768 -8.853 320 HG22 ILE 42 HG22 ILE 42 -8.248 -4.579 -7.698 321 HG23 ILE 42 HG23 ILE 42 -9.213 -4.058 -9.079 322 HD11 ILE 42 HD11 ILE 42 -9.905 -2.324 -8.181 323 HD12 ILE 42 HD12 ILE 42 -11.006 -1.633 -6.989 324 HD13 ILE 42 HD13 ILE 42 -11.635 -2.650 -8.285 325 H LEU 43 H LEU 43 -12.261 -7.657 -7.638 326 HA LEU 43 HA LEU 43 -10.398 -9.322 -8.864 327 HB2 LEU 43 HB2 LEU 43 -11.784 -9.968 -6.949 328 HB3 LEU 43 HB3 LEU 43 -13.206 -9.972 -7.971 329 HG LEU 43 HG LEU 43 -12.193 -11.818 -9.300 330 HD11 LEU 43 HD11 LEU 43 -10.115 -11.779 -7.114 331 HD12 LEU 43 HD12 LEU 43 -9.851 -11.384 -8.813 332 HD13 LEU 43 HD13 LEU 43 -10.286 -13.029 -8.347 333 HD21 LEU 43 HD21 LEU 43 -12.498 -12.346 -6.346 334 HD22 LEU 43 HD22 LEU 43 -12.586 -13.555 -7.626 335 HD23 LEU 43 HD23 LEU 43 -13.804 -12.284 -7.529 336 H GLN 44 H GLN 44 -13.403 -8.019 -10.109 337 HA GLN 44 HA GLN 44 -13.847 -9.928 -12.135 338 HB2 GLN 44 HB2 GLN 44 -15.560 -8.325 -11.318 339 HB3 GLN 44 HB3 GLN 44 -14.692 -7.027 -12.125 340 HG2 GLN 44 HG2 GLN 44 -16.618 -7.791 -13.420 341 HG3 GLN 44 HG3 GLN 44 -15.102 -8.046 -14.282 342 HE21 GLN 44 HE21 GLN 44 -14.346 -10.155 -14.584 343 HE22 GLN 44 HE22 GLN 44 -15.360 -11.541 -14.354 344 H LEU 45 H LEU 45 -11.717 -7.186 -11.958 345 HA LEU 45 HA LEU 45 -11.259 -6.980 -14.783 346 HB2 LEU 45 HB2 LEU 45 -10.864 -5.183 -13.003 347 HB3 LEU 45 HB3 LEU 45 -9.414 -6.059 -12.574 348 HG LEU 45 HG LEU 45 -8.927 -4.121 -13.986 349 HD11 LEU 45 HD11 LEU 45 -7.413 -5.992 -14.129 350 HD12 LEU 45 HD12 LEU 45 -7.577 -5.220 -15.707 351 HD13 LEU 45 HD13 LEU 45 -8.411 -6.740 -15.375 352 HD21 LEU 45 HD21 LEU 45 -11.016 -4.040 -15.239 353 HD22 LEU 45 HD22 LEU 45 -10.558 -5.507 -16.105 354 HD23 LEU 45 HD23 LEU 45 -9.616 -4.030 -16.310 355 H LEU 46 H LEU 46 -9.373 -8.283 -12.062 356 HA LEU 46 HA LEU 46 -7.255 -9.289 -13.615 357 HB2 LEU 46 HB2 LEU 46 -8.227 -9.826 -10.834 358 HB3 LEU 46 HB3 LEU 46 -6.955 -10.815 -11.516 359 HG LEU 46 HG LEU 46 -6.023 -9.057 -10.129 360 HD11 LEU 46 HD11 LEU 46 -5.500 -8.609 -13.059 361 HD12 LEU 46 HD12 LEU 46 -4.704 -9.786 -12.012 362 HD13 LEU 46 HD13 LEU 46 -4.471 -8.060 -11.735 363 HD21 LEU 46 HD21 LEU 46 -7.787 -7.395 -10.334 364 HD22 LEU 46 HD22 LEU 46 -7.357 -7.128 -12.024 365 HD23 LEU 46 HD23 LEU 46 -6.219 -6.701 -10.746 366 H ALA 47 H ALA 47 -10.056 -10.972 -12.187 367 HA ALA 47 HA ALA 47 -9.366 -13.499 -13.289 368 HB1 ALA 47 HB1 ALA 47 -10.781 -13.283 -11.306 369 HB2 ALA 47 HB2 ALA 47 -11.596 -14.198 -12.575 370 HB3 ALA 47 HB3 ALA 47 -12.034 -12.515 -12.280 371 H GLY 48 H GLY 48 -11.156 -10.756 -14.441 372 HA2 GLY 48 HA2 GLY 48 -12.591 -12.051 -16.515 373 HA3 GLY 48 HA3 GLY 48 -12.264 -10.329 -16.404 374 H GLN 49 H GLN 49 -9.505 -10.296 -16.482 375 HA GLN 49 HA GLN 49 -9.067 -10.818 -19.283 376 HB2 GLN 49 HB2 GLN 49 -7.363 -9.567 -17.132 377 HB3 GLN 49 HB3 GLN 49 -6.771 -9.837 -18.766 378 HG2 GLN 49 HG2 GLN 49 -8.561 -8.420 -19.642 379 HG3 GLN 49 HG3 GLN 49 -9.139 -8.147 -18.000 380 HE21 GLN 49 HE21 GLN 49 -8.834 -5.930 -18.207 381 HE22 GLN 49 HE22 GLN 49 -7.264 -5.209 -18.135 382 H GLY 50 H GLY 50 -8.534 -12.479 -16.366 383 HA2 GLY 50 HA2 GLY 50 -7.841 -14.668 -16.099 384 HA3 GLY 50 HA3 GLY 50 -7.430 -14.713 -17.806 385 H LYS 51 H LYS 51 -6.303 -12.769 -15.040 386 HA LYS 51 HA LYS 51 -3.624 -13.838 -15.392 387 HB2 LYS 51 HB2 LYS 51 -2.678 -11.503 -15.515 388 HB3 LYS 51 HB3 LYS 51 -3.498 -12.075 -16.962 389 HG2 LYS 51 HG2 LYS 51 -5.549 -10.862 -16.111 390 HG3 LYS 51 HG3 LYS 51 -4.484 -10.103 -14.927 391 HD2 LYS 51 HD2 LYS 51 -4.734 -8.667 -16.855 392 HD3 LYS 51 HD3 LYS 51 -3.077 -9.268 -16.760 393 HE2 LYS 51 HE2 LYS 51 -3.549 -10.928 -18.453 394 HE3 LYS 51 HE3 LYS 51 -5.242 -10.438 -18.504 395 HZ1 LYS 51 HZ1 LYS 51 -3.959 -9.501 -20.334 396 HZ2 LYS 51 HZ2 LYS 51 -2.936 -8.714 -19.232 397 HZ3 LYS 51 HZ3 LYS 51 -4.573 -8.282 -19.324 398 H SER 52 H SER 52 -2.121 -12.446 -13.783 399 HA SER 52 HA SER 52 -3.596 -12.354 -11.238 400 HB2 SER 52 HB2 SER 52 -0.860 -13.571 -11.682 401 HB3 SER 52 HB3 SER 52 -1.734 -13.505 -10.153 402 HG SER 52 HG SER 52 -3.407 -14.761 -11.228 403 HA PRO 53 HA PRO 53 -1.429 -8.566 -10.491 404 HB2 PRO 53 HB2 PRO 53 -1.625 -8.865 -7.644 405 HB3 PRO 53 HB3 PRO 53 -2.653 -7.907 -8.709 406 HG2 PRO 53 HG2 PRO 53 -3.481 -10.145 -7.333 407 HG3 PRO 53 HG3 PRO 53 -4.262 -9.511 -8.792 408 HD2 PRO 53 HD2 PRO 53 -2.352 -11.789 -8.497 409 HD3 PRO 53 HD3 PRO 53 -3.766 -11.629 -9.560 410 H SER 54 H SER 54 0.154 -7.704 -8.607 411 HA SER 54 HA SER 54 2.517 -9.425 -8.772 412 HB2 SER 54 HB2 SER 54 2.721 -7.074 -9.510 413 HB3 SER 54 HB3 SER 54 2.256 -6.532 -7.898 414 HG SER 54 HG SER 54 4.193 -8.090 -7.381 415 H GLY 55 H GLY 55 0.190 -8.217 -6.534 416 HA2 GLY 55 HA2 GLY 55 1.065 -9.947 -4.468 417 HA3 GLY 55 HA3 GLY 55 1.541 -8.289 -4.126 418 HA PRO 56 HA PRO 56 -2.820 -8.962 -2.622 419 HB2 PRO 56 HB2 PRO 56 -1.808 -7.917 -0.087 420 HB3 PRO 56 HB3 PRO 56 -2.620 -9.447 -0.415 421 HG2 PRO 56 HG2 PRO 56 -0.011 -9.311 0.257 422 HG3 PRO 56 HG3 PRO 56 -0.650 -10.555 -0.833 423 HD2 PRO 56 HD2 PRO 56 0.796 -8.017 -1.500 424 HD3 PRO 56 HD3 PRO 56 1.005 -9.642 -2.188 425 HA PRO 57 HA PRO 57 -4.006 -4.741 -3.102 426 HB2 PRO 57 HB2 PRO 57 -6.093 -4.555 -1.325 427 HB3 PRO 57 HB3 PRO 57 -6.214 -5.295 -2.925 428 HG2 PRO 57 HG2 PRO 57 -5.844 -6.596 -0.254 429 HG3 PRO 57 HG3 PRO 57 -6.866 -7.097 -1.615 430 HD2 PRO 57 HD2 PRO 57 -4.501 -8.270 -1.111 431 HD3 PRO 57 HD3 PRO 57 -5.090 -8.028 -2.768 432 H PHE 58 H PHE 58 -3.697 -2.726 -2.237 433 HA PHE 58 HA PHE 58 -2.910 -2.616 0.594 434 HB2 PHE 58 HB2 PHE 58 -1.171 -0.978 0.036 435 HB3 PHE 58 HB3 PHE 58 -0.884 -2.504 -0.787 436 HD1 PHE 58 HD1 PHE 58 -2.143 0.951 -1.271 437 HD2 PHE 58 HD2 PHE 58 -0.703 -2.601 -3.122 438 HE1 PHE 58 HE1 PHE 58 -1.959 2.146 -3.413 439 HE2 PHE 58 HE2 PHE 58 -0.524 -1.413 -5.269 440 HZ PHE 58 HZ PHE 58 -1.151 0.964 -5.416 441 H ALA 59 H ALA 59 -3.297 -0.612 1.636 442 HA ALA 59 HA ALA 59 -5.348 1.003 0.291 443 HB1 ALA 59 HB1 ALA 59 -4.677 0.817 3.228 444 HB2 ALA 59 HB2 ALA 59 -6.023 0.010 2.423 445 HB3 ALA 59 HB3 ALA 59 -5.980 1.771 2.518 446 H ARG 60 H ARG 60 -4.440 2.654 -0.735 447 HA ARG 60 HA ARG 60 -2.163 4.023 0.482 448 HB2 ARG 60 HB2 ARG 60 -2.072 3.411 -1.924 449 HB3 ARG 60 HB3 ARG 60 -3.448 4.465 -2.221 450 HG2 ARG 60 HG2 ARG 60 -2.143 6.387 -1.486 451 HG3 ARG 60 HG3 ARG 60 -0.764 5.330 -1.171 452 HD2 ARG 60 HD2 ARG 60 -0.684 4.716 -3.527 453 HD3 ARG 60 HD3 ARG 60 -2.078 5.746 -3.855 454 HE ARG 60 HE ARG 60 0.283 6.998 -2.665 455 HH11 ARG 60 HH11 ARG 60 -1.642 6.385 -5.542 456 HH12 ARG 60 HH12 ARG 60 -0.973 7.728 -6.419 457 HH21 ARG 60 HH21 ARG 60 1.116 8.782 -3.771 458 HH22 ARG 60 HH22 ARG 60 0.605 9.103 -5.406 459 H TYR 61 H TYR 61 -2.427 5.791 1.635 460 HA TYR 61 HA TYR 61 -5.023 7.173 1.502 461 HB2 TYR 61 HB2 TYR 61 -3.024 7.128 3.771 462 HB3 TYR 61 HB3 TYR 61 -4.607 7.891 3.798 463 HD1 TYR 61 HD1 TYR 61 -6.651 6.498 3.877 464 HD2 TYR 61 HD2 TYR 61 -2.771 4.775 4.114 465 HE1 TYR 61 HE1 TYR 61 -7.628 4.426 4.768 466 HE2 TYR 61 HE2 TYR 61 -3.738 2.702 5.004 467 HH TYR 61 HH TYR 61 -5.720 1.950 6.157 468 H PHE 62 H PHE 62 -4.882 8.929 0.298 469 HA PHE 62 HA PHE 62 -2.523 10.672 0.589 470 HB2 PHE 62 HB2 PHE 62 -2.847 9.783 -1.694 471 HB3 PHE 62 HB3 PHE 62 -4.470 10.457 -1.724 472 HD1 PHE 62 HD2 PHE 62 -0.905 11.442 -1.360 473 HD2 PHE 62 HD1 PHE 62 -4.823 12.576 -2.570 474 HE1 PHE 62 HE2 PHE 62 -0.008 13.534 -2.288 475 HE2 PHE 62 HE1 PHE 62 -3.934 14.670 -3.504 476 HZ PHE 62 HZ PHE 62 -1.523 15.152 -3.362 477 H GLY 63 H GLY 63 -3.139 12.020 2.224 478 HA2 GLY 63 HA2 GLY 63 -5.579 13.594 1.754 479 HA3 GLY 63 HA3 GLY 63 -5.328 12.834 3.314 480 H MET 64 H MET 64 -2.314 13.507 2.857 481 HA MET 64 HA MET 64 -2.470 15.937 4.379 482 HB2 MET 64 HB2 MET 64 -0.115 14.326 3.394 483 HB3 MET 64 HB3 MET 64 0.046 15.786 4.361 484 HG2 MET 64 HG2 MET 64 -1.304 13.223 5.179 485 HG3 MET 64 HG3 MET 64 0.236 13.847 5.772 486 HE1 MET 64 HE1 MET 64 -0.954 17.096 7.672 487 HE2 MET 64 HE2 MET 64 -0.455 16.966 5.984 488 HE3 MET 64 HE3 MET 64 0.438 16.104 7.237 489 H SER 65 H SER 65 -2.396 15.271 1.103 490 HA SER 65 HA SER 65 -1.646 18.056 0.535 491 HB2 SER 65 HB2 SER 65 -1.057 15.639 -1.193 492 HB3 SER 65 HB3 SER 65 -0.680 17.314 -1.602 493 HG SER 65 HG SER 65 0.699 17.382 0.214 494 H ALA 66 H ALA 66 -4.231 16.918 1.101 495 HA ALA 66 HA ALA 66 -5.657 17.900 -1.201 496 HB1 ALA 66 HB1 ALA 66 -6.061 15.036 -0.336 497 HB2 ALA 66 HB2 ALA 66 -5.288 15.554 -1.834 498 HB3 ALA 66 HB3 ALA 66 -6.996 15.897 -1.558 499 H GLY 67 H GLY 67 -7.850 18.357 -0.727 500 HA2 GLY 67 HA2 GLY 67 -8.433 18.630 2.107 501 HA3 GLY 67 HA3 GLY 67 -9.403 19.250 0.773 502 H THR 68 H THR 68 -9.919 17.100 -0.723 503 HA THR 68 HA THR 68 -11.607 15.445 0.963 504 HB THR 68 HB THR 68 -11.206 15.190 -2.024 505 HG1 THR 68 HG1 THR 68 -12.029 17.352 -0.868 506 HG21 THR 68 HG21 THR 68 -12.407 13.354 -0.944 507 HG22 THR 68 HG22 THR 68 -13.496 14.301 -1.960 508 HG23 THR 68 HG23 THR 68 -13.521 14.505 -0.208 509 H PHE 69 H PHE 69 -11.213 13.272 1.415 510 HA PHE 69 HA PHE 69 -8.395 12.648 1.339 511 HB2 PHE 69 HB2 PHE 69 -9.996 12.342 3.314 512 HB3 PHE 69 HB3 PHE 69 -10.554 10.894 2.487 513 HD1 PHE 69 HD1 PHE 69 -7.666 12.512 4.089 514 HD2 PHE 69 HD2 PHE 69 -9.262 8.905 2.495 515 HE1 PHE 69 HE1 PHE 69 -5.815 11.252 5.105 516 HE2 PHE 69 HE2 PHE 69 -7.413 7.639 3.505 517 HZ PHE 69 HZ PHE 69 -5.686 8.810 4.814 518 H GLU 70 H GLU 70 -7.448 11.530 -0.149 519 HA GLU 70 HA GLU 70 -9.004 9.988 -2.085 520 HB2 GLU 70 HB2 GLU 70 -7.338 11.695 -2.818 521 HB3 GLU 70 HB3 GLU 70 -6.070 10.737 -2.069 522 HG2 GLU 70 HG2 GLU 70 -5.858 10.046 -4.221 523 HG3 GLU 70 HG3 GLU 70 -7.025 8.858 -3.647 524 H VAL 71 H VAL 71 -8.986 7.791 -2.157 525 HA VAL 71 HA VAL 71 -6.802 6.405 -0.758 526 HB VAL 71 HB VAL 71 -8.369 4.633 -0.022 527 HG11 VAL 71 HG11 VAL 71 -9.375 5.881 1.837 528 HG12 VAL 71 HG12 VAL 71 -8.995 7.393 1.013 529 HG13 VAL 71 HG13 VAL 71 -7.694 6.335 1.558 530 HG21 VAL 71 HG21 VAL 71 -10.172 4.995 -1.623 531 HG22 VAL 71 HG22 VAL 71 -10.528 6.556 -0.882 532 HG23 VAL 71 HG23 VAL 71 -10.774 5.069 0.034 533 H GLU 72 H GLU 72 -5.894 4.772 -1.802 534 HA GLU 72 HA GLU 72 -7.253 3.719 -4.198 535 HB2 GLU 72 HB2 GLU 72 -4.264 3.936 -3.797 536 HB3 GLU 72 HB3 GLU 72 -5.090 3.368 -5.239 537 HG2 GLU 72 HG2 GLU 72 -6.099 5.649 -5.453 538 HG3 GLU 72 HG3 GLU 72 -5.041 6.164 -4.140 539 H PHE 73 H PHE 73 -8.151 1.946 -3.326 540 HA PHE 73 HA PHE 73 -6.781 0.237 -1.472 541 HB2 PHE 73 HB2 PHE 73 -9.239 0.648 -1.405 542 HB3 PHE 73 HB3 PHE 73 -9.398 -0.255 -2.907 543 HD1 PHE 73 HD1 PHE 73 -7.809 -0.702 0.443 544 HD2 PHE 73 HD2 PHE 73 -10.083 -2.437 -2.708 545 HE1 PHE 73 HE1 PHE 73 -7.979 -2.796 1.725 546 HE2 PHE 73 HE2 PHE 73 -10.259 -4.531 -1.430 547 HZ PHE 73 HZ PHE 73 -9.205 -4.713 0.788 548 H GLY 74 H GLY 74 -6.374 0.549 -4.701 549 HA2 GLY 74 HA2 GLY 74 -6.627 -2.119 -5.640 550 HA3 GLY 74 HA3 GLY 74 -5.772 -0.819 -6.445 551 H PHE 75 H PHE 75 -4.360 -2.670 -7.031 552 HA PHE 75 HA PHE 75 -2.183 -2.933 -5.129 553 HB2 PHE 75 HB2 PHE 75 -2.206 -5.476 -5.456 554 HB3 PHE 75 HB3 PHE 75 -3.390 -4.792 -4.352 555 HD1 PHE 75 HD1 PHE 75 -2.999 -5.921 -7.878 556 HD2 PHE 75 HD2 PHE 75 -5.620 -5.324 -4.581 557 HE1 PHE 75 HE1 PHE 75 -4.799 -7.055 -9.107 558 HE2 PHE 75 HE2 PHE 75 -7.426 -6.453 -5.808 559 HZ PHE 75 HZ PHE 75 -7.016 -7.319 -8.076 560 HA PRO 76 HA PRO 76 0.292 -3.039 -8.782 561 HB2 PRO 76 HB2 PRO 76 2.090 -5.023 -7.575 562 HB3 PRO 76 HB3 PRO 76 2.404 -3.337 -7.998 563 HG2 PRO 76 HG2 PRO 76 2.217 -4.152 -5.438 564 HG3 PRO 76 HG3 PRO 76 1.666 -2.549 -5.961 565 HD2 PRO 76 HD2 PRO 76 0.059 -5.020 -5.417 566 HD3 PRO 76 HD3 PRO 76 -0.285 -3.333 -4.973 567 H VAL 77 H VAL 77 0.953 -4.339 -10.574 568 HA VAL 77 HA VAL 77 -0.108 -7.084 -10.575 569 HB VAL 77 HB VAL 77 -1.036 -6.711 -12.844 570 HG11 VAL 77 HG11 VAL 77 -2.162 -4.924 -10.688 571 HG12 VAL 77 HG12 VAL 77 -2.509 -6.638 -10.911 572 HG13 VAL 77 HG13 VAL 77 -3.030 -5.469 -12.122 573 HG21 VAL 77 HG21 VAL 77 -1.418 -4.410 -13.619 574 HG22 VAL 77 HG22 VAL 77 0.300 -4.798 -13.519 575 HG23 VAL 77 HG23 VAL 77 -0.454 -3.805 -12.272 576 H GLU 78 H GLU 78 0.883 -8.521 -12.056 577 HA GLU 78 HA GLU 78 3.435 -7.532 -13.148 578 HB2 GLU 78 HB2 GLU 78 2.791 -10.204 -11.911 579 HB3 GLU 78 HB3 GLU 78 4.257 -9.895 -12.829 580 HG2 GLU 78 HG2 GLU 78 4.889 -8.164 -11.229 581 HG3 GLU 78 HG3 GLU 78 3.424 -8.493 -10.304 582 H GLY 79 H GLY 79 0.784 -9.839 -13.620 583 HA2 GLY 79 HA2 GLY 79 1.935 -10.895 -16.028 584 HA3 GLY 79 HA3 GLY 79 0.368 -11.303 -15.356 585 H GLY 80 H GLY 80 1.896 -8.384 -16.730 586 HA2 GLY 80 HA2 GLY 80 1.152 -6.900 -18.323 587 HA3 GLY 80 HA3 GLY 80 0.597 -8.345 -19.154 588 H VAL 81 H VAL 81 -0.488 -6.667 -16.205 589 HA VAL 81 HA VAL 81 -3.232 -7.035 -17.107 590 HB VAL 81 HB VAL 81 -2.417 -5.728 -14.532 591 HG11 VAL 81 HG11 VAL 81 -4.751 -5.554 -15.104 592 HG12 VAL 81 HG12 VAL 81 -4.554 -6.661 -13.745 593 HG13 VAL 81 HG13 VAL 81 -4.846 -7.294 -15.365 594 HG21 VAL 81 HG21 VAL 81 -2.518 -7.949 -13.462 595 HG22 VAL 81 HG22 VAL 81 -1.187 -7.812 -14.613 596 HG23 VAL 81 HG23 VAL 81 -2.653 -8.688 -15.058 597 H GLU 82 H GLU 82 -4.694 -5.334 -17.332 598 HA GLU 82 HA GLU 82 -3.525 -2.668 -17.674 599 HB2 GLU 82 HB2 GLU 82 -3.678 -4.275 -19.798 600 HB3 GLU 82 HB3 GLU 82 -5.344 -3.719 -19.800 601 HG2 GLU 82 HG2 GLU 82 -3.104 -1.746 -19.699 602 HG3 GLU 82 HG3 GLU 82 -3.566 -2.495 -21.224 603 H GLY 83 H GLY 83 -5.115 -0.973 -17.664 604 HA2 GLY 83 HA2 GLY 83 -7.342 -1.737 -15.929 605 HA3 GLY 83 HA3 GLY 83 -6.674 -0.121 -16.109 606 H SER 84 H SER 84 -9.425 -1.581 -16.496 607 HA SER 84 HA SER 84 -9.978 -0.403 -19.133 608 HB2 SER 84 HB2 SER 84 -10.074 -2.940 -18.991 609 HB3 SER 84 HB3 SER 84 -11.476 -2.739 -17.941 610 HG SER 84 HG SER 84 -12.625 -2.487 -19.673 611 H GLY 85 H GLY 85 -10.717 1.563 -18.449 612 HA2 GLY 85 HA2 GLY 85 -12.493 2.984 -18.065 613 HA3 GLY 85 HA3 GLY 85 -13.479 1.585 -17.666 614 H ARG 86 H ARG 86 -13.786 1.021 -15.593 615 HA ARG 86 HA ARG 86 -13.546 3.033 -13.637 616 HB2 ARG 86 HB2 ARG 86 -15.337 1.324 -13.731 617 HB3 ARG 86 HB3 ARG 86 -14.163 0.096 -13.284 618 HG2 ARG 86 HG2 ARG 86 -13.862 1.079 -11.126 619 HG3 ARG 86 HG3 ARG 86 -14.859 2.469 -11.572 620 HD2 ARG 86 HD2 ARG 86 -16.785 1.015 -11.847 621 HD3 ARG 86 HD3 ARG 86 -15.802 -0.390 -11.450 622 HE ARG 86 HE ARG 86 -15.871 1.649 -9.410 623 HH11 ARG 86 HH11 ARG 86 -17.371 -1.228 -10.699 624 HH12 ARG 86 HH12 ARG 86 -18.061 -1.711 -9.181 625 HH21 ARG 86 HH21 ARG 86 -16.841 1.062 -7.408 626 HH22 ARG 86 HH22 ARG 86 -17.806 -0.390 -7.328 627 H VAL 87 H VAL 87 -12.118 -0.238 -13.581 628 HA VAL 87 HA VAL 87 -10.111 0.649 -11.685 629 HB VAL 87 HB VAL 87 -10.388 -2.051 -13.020 630 HG11 VAL 87 HG11 VAL 87 -8.168 -1.668 -12.113 631 HG12 VAL 87 HG12 VAL 87 -9.034 -2.853 -11.134 632 HG13 VAL 87 HG13 VAL 87 -8.865 -1.194 -10.562 633 HG21 VAL 87 HG21 VAL 87 -12.405 -1.485 -11.754 634 HG22 VAL 87 HG22 VAL 87 -11.417 -1.152 -10.331 635 HG23 VAL 87 HG23 VAL 87 -11.503 -2.789 -10.982 636 H VAL 88 H VAL 88 -8.423 1.752 -12.457 637 HA VAL 88 HA VAL 88 -7.484 1.128 -15.177 638 HB VAL 88 HB VAL 88 -6.461 3.398 -15.161 639 HG11 VAL 88 HG11 VAL 88 -8.569 3.082 -16.264 640 HG12 VAL 88 HG12 VAL 88 -8.594 4.632 -15.422 641 HG13 VAL 88 HG13 VAL 88 -9.438 3.242 -14.739 642 HG21 VAL 88 HG21 VAL 88 -8.013 3.718 -12.593 643 HG22 VAL 88 HG22 VAL 88 -7.227 5.024 -13.480 644 HG23 VAL 88 HG23 VAL 88 -6.258 3.732 -12.767 645 H THR 89 H THR 89 -5.076 2.040 -15.354 646 HA THR 89 HA THR 89 -3.527 0.496 -13.427 647 HB THR 89 HB THR 89 -2.387 1.914 -15.820 648 HG1 THR 89 HG1 THR 89 -4.105 -0.301 -15.741 649 HG21 THR 89 HG21 THR 89 -1.703 -0.693 -14.452 650 HG22 THR 89 HG22 THR 89 -0.835 0.831 -14.260 651 HG23 THR 89 HG23 THR 89 -0.843 0.011 -15.822 652 H GLY 90 H GLY 90 -1.664 1.411 -12.421 653 HA2 GLY 90 HA2 GLY 90 -1.361 4.305 -12.442 654 HA3 GLY 90 HA3 GLY 90 -1.893 3.596 -10.921 655 H LEU 91 H LEU 91 0.370 4.911 -10.747 656 HA LEU 91 HA LEU 91 2.392 2.798 -10.540 657 HB2 LEU 91 HB2 LEU 91 2.865 5.584 -11.617 658 HB3 LEU 91 HB3 LEU 91 4.138 4.460 -11.190 659 HG LEU 91 HG LEU 91 2.085 3.995 -13.358 660 HD11 LEU 91 HD11 LEU 91 3.921 4.382 -14.905 661 HD12 LEU 91 HD12 LEU 91 4.995 4.757 -13.559 662 HD13 LEU 91 HD13 LEU 91 3.625 5.810 -13.915 663 HD21 LEU 91 HD21 LEU 91 3.549 2.135 -13.994 664 HD22 LEU 91 HD22 LEU 91 2.887 1.922 -12.373 665 HD23 LEU 91 HD23 LEU 91 4.558 2.448 -12.581 666 H THR 92 H THR 92 3.851 3.067 -8.827 667 HA THR 92 HA THR 92 2.857 4.633 -6.631 668 HB THR 92 HB THR 92 5.025 3.653 -5.550 669 HG1 THR 92 HG1 THR 92 6.174 2.423 -6.835 670 HG21 THR 92 HG21 THR 92 2.753 1.879 -6.452 671 HG22 THR 92 HG22 THR 92 2.774 2.890 -5.008 672 HG23 THR 92 HG23 THR 92 3.872 1.517 -5.137 673 HA PRO 93 HA PRO 93 5.316 8.236 -7.291 674 HB2 PRO 93 HB2 PRO 93 5.666 9.041 -4.695 675 HB3 PRO 93 HB3 PRO 93 4.179 9.294 -5.615 676 HG2 PRO 93 HG2 PRO 93 4.826 7.183 -3.601 677 HG3 PRO 93 HG3 PRO 93 3.320 8.089 -3.832 678 HD2 PRO 93 HD2 PRO 93 3.624 5.554 -4.706 679 HD3 PRO 93 HD3 PRO 93 2.627 6.742 -5.569 680 H SER 94 H SER 94 7.443 8.679 -7.537 681 HA SER 94 HA SER 94 9.348 6.776 -6.484 682 HB2 SER 94 HB2 SER 94 9.791 9.200 -8.240 683 HB3 SER 94 HB3 SER 94 10.949 7.904 -7.939 684 HG SER 94 HG SER 94 8.557 6.941 -8.789 685 H GLY 95 H GLY 95 10.724 7.099 -4.851 686 HA2 GLY 95 HA2 GLY 95 12.025 9.162 -3.839 687 HA3 GLY 95 HA3 GLY 95 10.397 9.530 -3.278 688 H LYS 96 H LYS 96 11.746 9.310 -1.200 689 HA LYS 96 HA LYS 96 11.666 6.503 -0.345 690 HB2 LYS 96 HB2 LYS 96 13.344 7.317 1.450 691 HB3 LYS 96 HB3 LYS 96 13.916 7.011 -0.181 692 HG2 LYS 96 HG2 LYS 96 14.955 8.997 0.441 693 HG3 LYS 96 HG3 LYS 96 13.610 9.516 -0.574 694 HD2 LYS 96 HD2 LYS 96 12.809 9.341 2.193 695 HD3 LYS 96 HD3 LYS 96 14.223 10.381 2.013 696 HE2 LYS 96 HE2 LYS 96 11.664 10.632 0.436 697 HE3 LYS 96 HE3 LYS 96 12.086 11.608 1.837 698 HZ1 LYS 96 HZ1 LYS 96 13.430 11.560 -0.808 699 HZ2 LYS 96 HZ2 LYS 96 14.104 12.315 0.553 700 HZ3 LYS 96 HZ3 LYS 96 12.631 12.865 -0.076 701 H ALA 97 H ALA 97 11.013 6.041 1.808 702 HA ALA 97 HA ALA 97 9.706 8.137 3.333 703 HB1 ALA 97 HB1 ALA 97 7.525 7.041 3.342 704 HB2 ALA 97 HB2 ALA 97 8.119 5.827 2.211 705 HB3 ALA 97 HB3 ALA 97 7.987 7.512 1.707 706 H ALA 98 H ALA 98 8.611 7.094 5.322 707 HA ALA 98 HA ALA 98 10.509 5.169 6.421 708 HB1 ALA 98 HB1 ALA 98 8.421 6.813 7.849 709 HB2 ALA 98 HB2 ALA 98 10.125 7.238 7.688 710 HB3 ALA 98 HB3 ALA 98 9.656 5.806 8.605 711 H SER 99 H SER 99 10.004 3.140 6.327 712 HA SER 99 HA SER 99 7.184 2.353 6.623 713 HB2 SER 99 HB2 SER 99 9.309 0.967 4.969 714 HB3 SER 99 HB3 SER 99 7.622 0.480 5.119 715 HG SER 99 HG SER 99 7.707 3.043 4.389 716 H SER 100 H SER 100 6.743 0.704 8.009 717 HA SER 100 HA SER 100 8.995 -0.707 9.251 718 HB2 SER 100 HB2 SER 100 8.223 1.138 10.753 719 HB3 SER 100 HB3 SER 100 6.620 0.407 10.772 720 HG SER 100 HG SER 100 8.285 -0.110 12.513 721 H LEU 101 H LEU 101 8.485 -2.827 9.965 722 HA LEU 101 HA LEU 101 6.157 -3.923 8.568 723 HB2 LEU 101 HB2 LEU 101 8.624 -5.277 9.657 724 HB3 LEU 101 HB3 LEU 101 7.265 -6.137 8.966 725 HG LEU 101 HG LEU 101 7.694 -4.828 6.828 726 HD11 LEU 101 HD11 LEU 101 10.309 -4.270 8.216 727 HD12 LEU 101 HD12 LEU 101 9.095 -3.073 7.763 728 HD13 LEU 101 HD13 LEU 101 9.957 -3.972 6.512 729 HD21 LEU 101 HD21 LEU 101 9.792 -6.747 7.825 730 HD22 LEU 101 HD22 LEU 101 9.485 -6.343 6.136 731 HD23 LEU 101 HD23 LEU 101 8.251 -7.178 7.082 732 H TYR 102 H TYR 102 4.403 -4.280 9.710 733 HA TYR 102 HA TYR 102 4.589 -4.822 12.572 734 HB2 TYR 102 HB2 TYR 102 2.851 -3.254 11.534 735 HB3 TYR 102 HB3 TYR 102 2.079 -4.697 10.889 736 HD1 TYR 102 HD1 TYR 102 1.780 -6.607 12.838 737 HD2 TYR 102 HD2 TYR 102 1.899 -2.396 13.441 738 HE1 TYR 102 HE1 TYR 102 0.546 -6.880 14.941 739 HE2 TYR 102 HE2 TYR 102 0.666 -2.661 15.552 740 HH TYR 102 HH TYR 102 -0.997 -4.444 16.491 741 H ILE 103 H ILE 103 4.962 -6.873 13.145 742 HA ILE 103 HA ILE 103 4.021 -9.035 11.398 743 HB ILE 103 HB ILE 103 5.993 -9.204 13.688 744 HG12 ILE 103 HG12 ILE 103 7.552 -9.738 11.625 745 HG13 ILE 103 HG13 ILE 103 6.366 -8.781 10.749 746 HG21 ILE 103 HG21 ILE 103 5.226 -11.226 11.588 747 HG22 ILE 103 HG22 ILE 103 4.838 -11.297 13.307 748 HG23 ILE 103 HG23 ILE 103 6.515 -11.423 12.777 749 HD11 ILE 103 HD11 ILE 103 7.944 -7.849 13.133 750 HD12 ILE 103 HD12 ILE 103 6.783 -6.890 12.213 751 HD13 ILE 103 HD13 ILE 103 8.275 -7.444 11.448 752 H GLY 104 H GLY 104 2.188 -10.022 11.950 753 HA2 GLY 104 HA2 GLY 104 1.265 -11.581 13.626 754 HA3 GLY 104 HA3 GLY 104 1.633 -10.364 14.838 755 HA PRO 105 HA PRO 105 -2.882 -9.927 13.911 756 HB2 PRO 105 HB2 PRO 105 -3.410 -8.914 16.422 757 HB3 PRO 105 HB3 PRO 105 -3.484 -10.626 15.994 758 HG2 PRO 105 HG2 PRO 105 -1.302 -9.102 17.349 759 HG3 PRO 105 HG3 PRO 105 -1.906 -10.735 17.681 760 HD2 PRO 105 HD2 PRO 105 0.382 -10.313 16.331 761 HD3 PRO 105 HD3 PRO 105 -0.694 -11.673 15.950 762 H TYR 106 H TYR 106 -3.170 -8.238 12.649 763 HA TYR 106 HA TYR 106 -1.931 -5.669 13.307 764 HB2 TYR 106 HB2 TYR 106 -1.541 -6.814 11.098 765 HB3 TYR 106 HB3 TYR 106 -3.242 -6.570 10.733 766 HD1 TYR 106 HD1 TYR 106 -0.395 -4.470 11.969 767 HD2 TYR 106 HD2 TYR 106 -3.661 -4.856 9.271 768 HE1 TYR 106 HE1 TYR 106 0.181 -2.298 10.972 769 HE2 TYR 106 HE2 TYR 106 -3.100 -2.681 8.272 770 HH TYR 106 HH TYR 106 -1.906 -0.697 8.705 771 H GLY 107 H GLY 107 -3.110 -3.815 13.613 772 HA2 GLY 107 HA2 GLY 107 -5.753 -3.392 12.788 773 HA3 GLY 107 HA3 GLY 107 -5.801 -4.016 14.430 774 H GLU 108 H GLU 108 -3.467 -2.790 15.435 775 HA GLU 108 HA GLU 108 -4.470 -0.047 15.576 776 HB2 GLU 108 HB2 GLU 108 -3.164 0.150 17.657 777 HB3 GLU 108 HB3 GLU 108 -4.342 -1.149 17.719 778 HG2 GLU 108 HG2 GLU 108 -1.448 -1.620 17.077 779 HG3 GLU 108 HG3 GLU 108 -2.074 -1.609 18.721 780 H ILE 109 H ILE 109 -3.566 1.297 14.233 781 HA ILE 109 HA ILE 109 -1.009 1.006 13.072 782 HB ILE 109 HB ILE 109 -2.867 3.380 13.256 783 HG12 ILE 109 HG12 ILE 109 -3.645 1.511 11.890 784 HG13 ILE 109 HG13 ILE 109 -3.248 2.893 10.875 785 HG21 ILE 109 HG21 ILE 109 -0.321 3.179 11.648 786 HG22 ILE 109 HG22 ILE 109 -0.572 4.206 13.060 787 HG23 ILE 109 HG23 ILE 109 -1.491 4.497 11.583 788 HD11 ILE 109 HD11 ILE 109 -1.108 1.857 10.312 789 HD12 ILE 109 HD12 ILE 109 -2.470 0.824 9.876 790 HD13 ILE 109 HD13 ILE 109 -1.520 0.470 11.320 791 H GLU 110 H GLU 110 -2.177 2.717 15.891 792 HA GLU 110 HA GLU 110 -0.211 4.564 16.348 793 HB2 GLU 110 HB2 GLU 110 -1.622 2.895 18.433 794 HB3 GLU 110 HB3 GLU 110 -0.812 4.429 18.721 795 HG2 GLU 110 HG2 GLU 110 -2.402 5.507 17.154 796 HG3 GLU 110 HG3 GLU 110 -3.255 3.969 17.029 797 H ALA 111 H ALA 111 -0.103 1.118 17.138 798 HA ALA 111 HA ALA 111 2.189 1.169 18.763 799 HB1 ALA 111 HB1 ALA 111 1.141 -1.068 17.034 800 HB2 ALA 111 HB2 ALA 111 0.683 -0.738 18.705 801 HB3 ALA 111 HB3 ALA 111 2.330 -1.239 18.325 802 H VAL 112 H VAL 112 1.882 0.429 15.284 803 HA VAL 112 HA VAL 112 4.740 0.232 14.983 804 HB VAL 112 HB VAL 112 3.211 -1.164 13.649 805 HG11 VAL 112 HG11 VAL 112 1.982 -0.221 11.763 806 HG12 VAL 112 HG12 VAL 112 2.453 1.403 12.266 807 HG13 VAL 112 HG13 VAL 112 1.409 0.429 13.301 808 HG21 VAL 112 HG21 VAL 112 4.959 0.690 12.044 809 HG22 VAL 112 HG22 VAL 112 4.317 -0.847 11.467 810 HG23 VAL 112 HG23 VAL 112 5.443 -0.816 12.824 811 H TYR 113 H TYR 113 2.295 2.653 14.537 812 HA TYR 113 HA TYR 113 3.650 4.481 12.896 813 HB2 TYR 113 HB2 TYR 113 1.200 4.488 13.647 814 HB3 TYR 113 HB3 TYR 113 1.767 5.220 15.141 815 HD1 TYR 113 HD2 TYR 113 2.743 7.512 15.093 816 HD2 TYR 113 HD1 TYR 113 1.000 5.742 11.645 817 HE1 TYR 113 HE2 TYR 113 2.586 9.729 14.039 818 HE2 TYR 113 HE1 TYR 113 0.833 7.945 10.580 819 HH TYR 113 HH TYR 113 0.774 10.271 11.157 820 H ASP 114 H ASP 114 3.520 4.140 16.420 821 HA ASP 114 HA ASP 114 5.178 6.372 16.985 822 HB2 ASP 114 HB2 ASP 114 3.566 5.283 18.584 823 HB3 ASP 114 HB3 ASP 114 4.703 3.948 18.730 824 H ALA 115 H ALA 115 5.774 2.961 16.453 825 HA ALA 115 HA ALA 115 8.420 2.801 17.344 826 HB1 ALA 115 HB1 ALA 115 8.583 0.777 16.008 827 HB2 ALA 115 HB2 ALA 115 7.117 1.219 15.131 828 HB3 ALA 115 HB3 ALA 115 7.033 0.840 16.852 829 H LEU 116 H LEU 116 7.160 3.498 14.068 830 HA LEU 116 HA LEU 116 9.813 3.861 13.035 831 HB2 LEU 116 HB2 LEU 116 8.692 4.672 10.977 832 HB3 LEU 116 HB3 LEU 116 8.174 3.082 11.494 833 HG LEU 116 HG LEU 116 6.184 4.393 12.585 834 HD11 LEU 116 HD11 LEU 116 7.060 6.632 12.136 835 HD12 LEU 116 HD12 LEU 116 5.525 6.365 11.310 836 HD13 LEU 116 HD13 LEU 116 7.037 6.299 10.405 837 HD21 LEU 116 HD21 LEU 116 6.444 3.918 9.618 838 HD22 LEU 116 HD22 LEU 116 4.926 4.128 10.490 839 HD23 LEU 116 HD23 LEU 116 5.955 2.737 10.833 840 H MET 117 H MET 117 7.405 5.891 14.477 841 HA MET 117 HA MET 117 8.279 8.414 13.684 842 HB2 MET 117 HB2 MET 117 6.215 7.970 14.993 843 HB3 MET 117 HB3 MET 117 7.204 7.620 16.399 844 HG2 MET 117 HG2 MET 117 6.596 9.777 16.824 845 HG3 MET 117 HG3 MET 117 8.133 10.022 16.002 846 HE1 MET 117 HE1 MET 117 7.016 11.252 12.461 847 HE2 MET 117 HE2 MET 117 7.519 9.634 12.955 848 HE3 MET 117 HE3 MET 117 8.376 11.049 13.564 849 H LYS 118 H LYS 118 9.343 6.420 16.430 850 HA LYS 118 HA LYS 118 11.187 8.185 17.538 851 HB2 LYS 118 HB2 LYS 118 10.694 5.290 17.647 852 HB3 LYS 118 HB3 LYS 118 12.354 5.750 17.978 853 HG2 LYS 118 HG2 LYS 118 11.165 5.603 20.044 854 HG3 LYS 118 HG3 LYS 118 11.538 7.297 19.725 855 HD2 LYS 118 HD2 LYS 118 9.274 7.683 18.960 856 HD3 LYS 118 HD3 LYS 118 8.887 5.972 19.161 857 HE2 LYS 118 HE2 LYS 118 9.380 6.192 21.579 858 HE3 LYS 118 HE3 LYS 118 9.636 7.921 21.341 859 HZ1 LYS 118 HZ1 LYS 118 7.107 6.470 20.765 860 HZ2 LYS 118 HZ2 LYS 118 7.356 8.147 20.631 861 HZ3 LYS 118 HZ3 LYS 118 7.404 7.402 22.149 862 H TRP 119 H TRP 119 11.657 5.779 14.976 863 HA TRP 119 HA TRP 119 14.460 6.047 14.829 864 HB2 TRP 119 HB2 TRP 119 13.244 4.091 13.966 865 HB3 TRP 119 HB3 TRP 119 12.520 5.096 12.715 866 HD1 TRP 119 HD1 TRP 119 15.865 3.486 13.696 867 HE1 TRP 119 HE1 TRP 119 17.393 3.444 11.617 868 HE3 TRP 119 HE3 TRP 119 12.974 6.241 10.504 869 HZ2 TRP 119 HZ2 TRP 119 17.371 4.454 8.988 870 HZ3 TRP 119 HZ3 TRP 119 13.801 6.652 8.228 871 HH2 TRP 119 HH2 TRP 119 15.953 5.777 7.488 872 H VAL 120 H VAL 120 11.863 7.464 12.834 873 HA VAL 120 HA VAL 120 13.691 8.826 11.124 874 HB VAL 120 HB VAL 120 11.398 8.223 10.446 875 HG11 VAL 120 HG11 VAL 120 9.511 9.637 11.071 876 HG12 VAL 120 HG12 VAL 120 10.539 10.496 12.217 877 HG13 VAL 120 HG13 VAL 120 10.182 8.786 12.464 878 HG21 VAL 120 HG21 VAL 120 12.121 11.135 10.235 879 HG22 VAL 120 HG22 VAL 120 10.951 10.306 9.209 880 HG23 VAL 120 HG23 VAL 120 12.650 9.835 9.167 881 H ASP 121 H ASP 121 11.898 9.720 14.005 882 HA ASP 121 HA ASP 121 12.424 12.466 14.075 883 HB2 ASP 121 HB2 ASP 121 10.861 11.466 15.624 884 HB3 ASP 121 HB3 ASP 121 12.134 10.494 16.351 885 H ASP 122 H ASP 122 14.433 9.743 14.964 886 HA ASP 122 HA ASP 122 16.504 11.268 16.193 887 HB2 ASP 122 HB2 ASP 122 16.314 8.938 16.735 888 HB3 ASP 122 HB3 ASP 122 16.448 8.475 15.041 889 H ASN 123 H ASN 123 16.013 9.971 12.940 890 HA ASN 123 HA ASN 123 18.650 10.785 12.097 891 HB2 ASN 123 HB2 ASN 123 16.361 9.432 10.686 892 HB3 ASN 123 HB3 ASN 123 17.834 9.914 9.847 893 HD21 ASN 123 HD21 ASN 123 16.449 7.753 12.201 894 HD22 ASN 123 HD22 ASN 123 17.801 6.676 12.292 895 H GLY 124 H GLY 124 15.338 11.897 11.581 896 HA2 GLY 124 HA2 GLY 124 14.662 14.040 10.991 897 HA3 GLY 124 HA3 GLY 124 16.347 14.473 10.733 898 H PHE 125 H PHE 125 13.917 12.284 9.302 899 HA PHE 125 HA PHE 125 14.960 12.990 6.655 900 HB2 PHE 125 HB2 PHE 125 13.444 10.615 7.700 901 HB3 PHE 125 HB3 PHE 125 13.498 10.968 5.983 902 HD1 PHE 125 HD2 PHE 125 16.052 11.620 5.224 903 HD2 PHE 125 HD1 PHE 125 14.922 9.016 8.394 904 HE1 PHE 125 HE2 PHE 125 18.231 10.491 5.065 905 HE2 PHE 125 HE1 PHE 125 17.101 7.883 8.240 906 HZ PHE 125 HZ PHE 125 18.757 8.620 6.573 907 H ASP 126 H ASP 126 13.145 13.010 4.899 908 HA ASP 126 HA ASP 126 10.910 14.578 5.986 909 HB2 ASP 126 HB2 ASP 126 11.213 16.300 4.334 910 HB3 ASP 126 HB3 ASP 126 12.727 16.079 5.202 911 H LEU 127 H LEU 127 9.044 13.884 5.336 912 HA LEU 127 HA LEU 127 8.602 13.641 2.480 913 HB2 LEU 127 HB2 LEU 127 8.768 11.297 3.276 914 HB3 LEU 127 HB3 LEU 127 7.493 11.613 4.430 915 HG LEU 127 HG LEU 127 5.993 12.144 2.473 916 HD11 LEU 127 HD11 LEU 127 8.248 10.900 0.909 917 HD12 LEU 127 HD12 LEU 127 7.739 12.587 0.826 918 HD13 LEU 127 HD13 LEU 127 6.652 11.309 0.281 919 HD21 LEU 127 HD21 LEU 127 5.585 9.798 1.923 920 HD22 LEU 127 HD22 LEU 127 5.866 10.016 3.650 921 HD23 LEU 127 HD23 LEU 127 7.142 9.361 2.623 922 H SER 128 H SER 128 6.577 14.430 1.886 923 HA SER 128 HA SER 128 5.231 16.196 3.546 924 HB2 SER 128 HB2 SER 128 4.059 14.657 1.216 925 HB3 SER 128 HB3 SER 128 3.484 16.196 1.857 926 HG SER 128 HG SER 128 5.553 17.076 1.283 927 H GLY 129 H GLY 129 4.728 12.737 3.023 928 HA2 GLY 129 HA2 GLY 129 4.090 11.465 4.996 929 HA3 GLY 129 HA3 GLY 129 3.007 12.778 5.420 930 H GLU 130 H GLU 130 3.559 10.470 2.756 931 HA GLU 130 HA GLU 130 0.670 10.234 2.397 932 HB2 GLU 130 HB2 GLU 130 2.266 10.383 0.425 933 HB3 GLU 130 HB3 GLU 130 2.854 8.790 0.879 934 HG2 GLU 130 HG2 GLU 130 0.535 7.934 0.627 935 HG3 GLU 130 HG3 GLU 130 0.069 9.517 0.009 936 H ALA 131 H ALA 131 -0.448 8.285 2.830 937 HA ALA 131 HA ALA 131 1.045 6.528 4.670 938 HB1 ALA 131 HB1 ALA 131 -1.932 6.978 4.503 939 HB2 ALA 131 HB2 ALA 131 -0.840 7.725 5.671 940 HB3 ALA 131 HB3 ALA 131 -1.092 5.980 5.688 941 H TYR 132 H TYR 132 1.153 4.367 4.352 942 HA TYR 132 HA TYR 132 -0.317 3.204 2.090 943 HB2 TYR 132 HB2 TYR 132 1.844 3.985 1.217 944 HB3 TYR 132 HB3 TYR 132 2.686 3.085 2.469 945 HD1 TYR 132 HD2 TYR 132 0.887 2.857 -0.707 946 HD2 TYR 132 HD1 TYR 132 2.925 0.675 2.323 947 HE1 TYR 132 HE2 TYR 132 1.044 0.917 -2.212 948 HE2 TYR 132 HE1 TYR 132 3.090 -1.266 0.829 949 HH TYR 132 HH TYR 132 2.391 -1.084 -2.504 950 H GLU 133 H GLU 133 -1.406 1.556 2.995 951 HA GLU 133 HA GLU 133 0.044 -0.210 4.872 952 HB2 GLU 133 HB2 GLU 133 -2.931 0.275 4.626 953 HB3 GLU 133 HB3 GLU 133 -2.190 -0.902 5.696 954 HG2 GLU 133 HG2 GLU 133 -1.021 0.968 6.838 955 HG3 GLU 133 HG3 GLU 133 -1.953 2.089 5.842 956 H ILE 134 H ILE 134 0.573 -2.136 3.988 957 HA ILE 134 HA ILE 134 -0.969 -3.073 1.683 958 HB ILE 134 HB ILE 134 1.422 -3.054 1.330 959 HG12 ILE 134 HG12 ILE 134 0.456 -5.899 1.692 960 HG13 ILE 134 HG13 ILE 134 0.090 -4.875 0.307 961 HG21 ILE 134 HG21 ILE 134 2.960 -4.436 2.628 962 HG22 ILE 134 HG22 ILE 134 1.640 -4.890 3.706 963 HG23 ILE 134 HG23 ILE 134 2.178 -3.212 3.628 964 HD11 ILE 134 HD11 ILE 134 2.461 -4.788 -0.254 965 HD12 ILE 134 HD12 ILE 134 1.868 -6.449 -0.198 966 HD13 ILE 134 HD13 ILE 134 2.830 -5.809 1.137 967 H TYR 135 H TYR 135 -2.462 -4.628 1.878 968 HA TYR 135 HA TYR 135 -2.548 -6.080 4.437 969 HB2 TYR 135 HB2 TYR 135 -4.769 -5.405 2.500 970 HB3 TYR 135 HB3 TYR 135 -4.970 -6.419 3.926 971 HD1 TYR 135 HD1 TYR 135 -4.208 -5.323 6.190 972 HD2 TYR 135 HD2 TYR 135 -5.202 -3.130 2.682 973 HE1 TYR 135 HE1 TYR 135 -4.641 -3.332 7.565 974 HE2 TYR 135 HE2 TYR 135 -5.635 -1.131 4.048 975 HH TYR 135 HH TYR 135 -4.617 -0.779 7.186 976 H LEU 136 H LEU 136 -1.636 -7.995 4.233 977 HA LEU 136 HA LEU 136 -1.336 -9.421 1.828 978 HB2 LEU 136 HB2 LEU 136 -1.163 -10.386 4.690 979 HB3 LEU 136 HB3 LEU 136 -0.672 -11.331 3.300 980 HG LEU 136 HG LEU 136 0.990 -9.447 2.803 981 HD11 LEU 136 HD11 LEU 136 1.696 -8.126 4.755 982 HD12 LEU 136 HD12 LEU 136 0.302 -8.734 5.651 983 HD13 LEU 136 HD13 LEU 136 0.062 -7.724 4.224 984 HD21 LEU 136 HD21 LEU 136 1.678 -11.611 3.648 985 HD22 LEU 136 HD22 LEU 136 1.302 -11.113 5.297 986 HD23 LEU 136 HD23 LEU 136 2.617 -10.332 4.419 987 H ASP 137 H ASP 137 -3.173 -10.529 4.661 988 HA ASP 137 HA ASP 137 -5.654 -10.880 3.453 989 HB2 ASP 137 HB2 ASP 137 -4.184 -12.647 2.194 990 HB3 ASP 137 HB3 ASP 137 -4.299 -13.562 3.694 991 H ASN 138 H ASN 138 -6.498 -13.230 4.851 992 HA ASN 138 HA ASN 138 -6.589 -12.170 7.520 993 HB2 ASN 138 HB2 ASN 138 -8.454 -13.425 6.313 994 HB3 ASN 138 HB3 ASN 138 -7.533 -14.894 6.602 995 HD21 ASN 138 HD21 ASN 138 -7.445 -15.749 8.673 996 HD22 ASN 138 HD22 ASN 138 -8.477 -15.192 9.945 997 HA PRO 139 HA PRO 139 -3.033 -14.309 9.057 998 HB2 PRO 139 HB2 PRO 139 -4.091 -14.086 11.756 999 HB3 PRO 139 HB3 PRO 139 -2.741 -13.223 11.018 1000 HG2 PRO 139 HG2 PRO 139 -5.080 -12.020 11.687 1001 HG3 PRO 139 HG3 PRO 139 -4.056 -11.472 10.347 1002 HD2 PRO 139 HD2 PRO 139 -6.550 -13.124 10.274 1003 HD3 PRO 139 HD3 PRO 139 -6.034 -11.813 9.190 1004 H ALA 140 H ALA 140 -2.354 -16.143 10.324 1005 HA ALA 140 HA ALA 140 -2.452 -18.184 11.305 1006 HB1 ALA 140 HB1 ALA 140 -4.032 -17.177 12.871 1007 HB2 ALA 140 HB2 ALA 140 -4.438 -18.862 12.541 1008 HB3 ALA 140 HB3 ALA 140 -5.364 -17.567 11.781 1009 H GLU 141 H GLU 141 -3.355 -17.613 8.411 1010 HA GLU 141 HA GLU 141 -4.156 -20.389 7.930 1011 HB2 GLU 141 HB2 GLU 141 -6.070 -18.633 7.733 1012 HB3 GLU 141 HB3 GLU 141 -5.276 -18.177 6.234 1013 HG2 GLU 141 HG2 GLU 141 -6.393 -20.891 6.912 1014 HG3 GLU 141 HG3 GLU 141 -7.095 -19.712 5.810 1015 H THR 142 H THR 142 -3.342 -17.439 6.069 1016 HA THR 142 HA THR 142 -2.291 -19.024 3.946 1017 HB THR 142 HB THR 142 -3.374 -16.890 3.469 1018 HG1 THR 142 HG1 THR 142 -0.805 -17.492 2.622 1019 HG21 THR 142 HG21 THR 142 -2.267 -14.762 3.944 1020 HG22 THR 142 HG22 THR 142 -0.995 -15.615 4.820 1021 HG23 THR 142 HG23 THR 142 -2.648 -15.627 5.434 1022 H ALA 143 H ALA 143 -0.861 -17.299 6.626 1023 HA ALA 143 HA ALA 143 1.543 -18.778 6.456 1024 HB1 ALA 143 HB1 ALA 143 1.761 -15.864 5.688 1025 HB2 ALA 143 HB2 ALA 143 2.027 -17.239 4.616 1026 HB3 ALA 143 HB3 ALA 143 3.112 -16.961 5.980 1027 HA PRO 144 HA PRO 144 0.282 -17.234 10.597 1028 HB2 PRO 144 HB2 PRO 144 1.508 -19.342 11.888 1029 HB3 PRO 144 HB3 PRO 144 -0.172 -19.334 11.342 1030 HG2 PRO 144 HG2 PRO 144 2.236 -20.532 10.049 1031 HG3 PRO 144 HG3 PRO 144 0.583 -21.157 10.156 1032 HD2 PRO 144 HD2 PRO 144 1.529 -20.021 7.912 1033 HD3 PRO 144 HD3 PRO 144 -0.166 -19.850 8.407 1034 H ASP 145 H ASP 145 1.388 -15.770 11.524 1035 HA ASP 145 HA ASP 145 3.021 -14.597 12.580 1036 HB2 ASP 145 HB2 ASP 145 3.817 -16.765 13.493 1037 HB3 ASP 145 HB3 ASP 145 4.850 -16.952 12.082 1038 H GLN 146 H GLN 146 3.326 -15.781 9.404 1039 HA GLN 146 HA GLN 146 5.617 -14.117 8.778 1040 HB2 GLN 146 HB2 GLN 146 3.951 -16.025 7.179 1041 HB3 GLN 146 HB3 GLN 146 4.996 -14.869 6.369 1042 HG2 GLN 146 HG2 GLN 146 6.265 -16.814 6.501 1043 HG3 GLN 146 HG3 GLN 146 6.875 -15.801 7.805 1044 HE21 GLN 146 HE21 GLN 146 6.559 -16.408 9.912 1045 HE22 GLN 146 HE22 GLN 146 5.948 -17.966 10.361 1046 H LEU 147 H LEU 147 2.407 -13.522 9.231 1047 HA LEU 147 HA LEU 147 1.913 -11.708 7.097 1048 HB2 LEU 147 HB2 LEU 147 0.590 -12.362 9.653 1049 HB3 LEU 147 HB3 LEU 147 0.316 -10.740 9.048 1050 HG LEU 147 HG LEU 147 -0.300 -11.957 6.821 1051 HD11 LEU 147 HD11 LEU 147 0.421 -14.180 7.537 1052 HD12 LEU 147 HD12 LEU 147 -1.298 -14.143 7.140 1053 HD13 LEU 147 HD13 LEU 147 -0.784 -14.149 8.827 1054 HD21 LEU 147 HD21 LEU 147 -2.629 -12.118 7.567 1055 HD22 LEU 147 HD22 LEU 147 -1.851 -10.642 8.138 1056 HD23 LEU 147 HD23 LEU 147 -2.091 -11.997 9.241 1057 H ARG 148 H ARG 148 3.398 -10.229 6.781 1058 HA ARG 148 HA ARG 148 4.099 -8.429 9.001 1059 HB2 ARG 148 HB2 ARG 148 5.704 -9.127 6.528 1060 HB3 ARG 148 HB3 ARG 148 6.191 -7.971 7.761 1061 HG2 ARG 148 HG2 ARG 148 6.694 -9.605 9.286 1062 HG3 ARG 148 HG3 ARG 148 5.566 -10.764 8.578 1063 HD2 ARG 148 HD2 ARG 148 8.145 -9.855 7.307 1064 HD3 ARG 148 HD3 ARG 148 7.923 -11.372 8.181 1065 HE ARG 148 HE ARG 148 5.994 -11.519 6.327 1066 HH11 ARG 148 HH11 ARG 148 9.413 -10.790 6.088 1067 HH12 ARG 148 HH12 ARG 148 9.560 -11.407 4.467 1068 HH21 ARG 148 HH21 ARG 148 6.179 -12.304 4.190 1069 HH22 ARG 148 HH22 ARG 148 7.713 -12.262 3.385 1070 H THR 149 H THR 149 3.110 -6.538 8.808 1071 HA THR 149 HA THR 149 2.254 -5.655 6.145 1072 HB THR 149 HB THR 149 1.489 -4.461 8.826 1073 HG1 THR 149 HG1 THR 149 0.862 -6.765 8.365 1074 HG21 THR 149 HG21 THR 149 0.265 -4.238 6.072 1075 HG22 THR 149 HG22 THR 149 1.161 -2.976 6.916 1076 HG23 THR 149 HG23 THR 149 -0.392 -3.527 7.545 1077 H ARG 150 H ARG 150 3.859 -4.600 5.178 1078 HA ARG 150 HA ARG 150 5.613 -2.802 6.576 1079 HB2 ARG 150 HB2 ARG 150 6.415 -4.048 4.620 1080 HB3 ARG 150 HB3 ARG 150 5.207 -3.262 3.611 1081 HG2 ARG 150 HG2 ARG 150 6.282 -1.076 4.168 1082 HG3 ARG 150 HG3 ARG 150 7.566 -1.983 4.968 1083 HD2 ARG 150 HD2 ARG 150 6.780 -2.271 2.073 1084 HD3 ARG 150 HD3 ARG 150 8.148 -1.331 2.663 1085 HE ARG 150 HE ARG 150 8.016 -4.198 3.280 1086 HH11 ARG 150 HH11 ARG 150 9.503 -1.550 1.534 1087 HH12 ARG 150 HH12 ARG 150 10.924 -2.456 1.099 1088 HH21 ARG 150 HH21 ARG 150 9.884 -5.386 2.735 1089 HH22 ARG 150 HH22 ARG 150 11.148 -4.633 1.805 1090 H VAL 151 H VAL 151 4.533 -1.101 7.431 1091 HA VAL 151 HA VAL 151 2.668 0.339 5.695 1092 HB VAL 151 HB VAL 151 1.884 -0.329 7.956 1093 HG11 VAL 151 HG11 VAL 151 3.939 1.647 8.934 1094 HG12 VAL 151 HG12 VAL 151 3.923 -0.089 9.230 1095 HG13 VAL 151 HG13 VAL 151 2.664 0.932 9.921 1096 HG21 VAL 151 HG21 VAL 151 0.880 1.831 8.532 1097 HG22 VAL 151 HG22 VAL 151 0.828 1.516 6.798 1098 HG23 VAL 151 HG23 VAL 151 2.020 2.638 7.453 1099 H SER 152 H SER 152 3.141 2.223 4.835 1100 HA SER 152 HA SER 152 5.600 3.599 5.679 1101 HB2 SER 152 HB2 SER 152 5.470 2.950 3.286 1102 HB3 SER 152 HB3 SER 152 3.989 3.892 3.125 1103 HG SER 152 HG SER 152 5.171 5.594 2.869 1104 H LEU 153 H LEU 153 5.419 5.553 6.698 1105 HA LEU 153 HA LEU 153 2.750 6.790 6.686 1106 HB2 LEU 153 HB2 LEU 153 4.271 5.938 9.140 1107 HB3 LEU 153 HB3 LEU 153 2.879 7.004 9.178 1108 HG LEU 153 HG LEU 153 2.757 4.230 8.009 1109 HD11 LEU 153 HD11 LEU 153 1.786 3.488 10.111 1110 HD12 LEU 153 HD12 LEU 153 2.081 5.075 10.821 1111 HD13 LEU 153 HD13 LEU 153 3.438 4.055 10.345 1112 HD21 LEU 153 HD21 LEU 153 0.635 6.128 9.004 1113 HD22 LEU 153 HD22 LEU 153 0.357 4.502 8.378 1114 HD23 LEU 153 HD23 LEU 153 0.997 5.757 7.317 1115 H MET 154 H MET 154 2.840 8.802 8.244 1116 HA MET 154 HA MET 154 4.443 10.722 6.965 1117 HB2 MET 154 HB2 MET 154 3.056 10.965 9.640 1118 HB3 MET 154 HB3 MET 154 3.539 12.285 8.586 1119 HG2 MET 154 HG2 MET 154 1.909 11.678 6.956 1120 HG3 MET 154 HG3 MET 154 1.530 10.186 7.817 1121 HE1 MET 154 HE1 MET 154 2.176 13.751 9.361 1122 HE2 MET 154 HE2 MET 154 0.535 14.399 9.414 1123 HE3 MET 154 HE3 MET 154 1.315 14.100 7.859 1124 H LEU 155 H LEU 155 6.622 10.647 7.143 1125 HA LEU 155 HA LEU 155 7.790 10.077 9.757 1126 HB2 LEU 155 HB2 LEU 155 9.905 9.822 8.541 1127 HB3 LEU 155 HB3 LEU 155 8.647 8.711 8.061 1128 HG LEU 155 HG LEU 155 9.073 11.188 6.445 1129 HD11 LEU 155 HD11 LEU 155 10.714 9.974 5.072 1130 HD12 LEU 155 HD12 LEU 155 10.735 8.677 6.266 1131 HD13 LEU 155 HD13 LEU 155 11.311 10.285 6.701 1132 HD21 LEU 155 HD21 LEU 155 8.326 9.724 4.641 1133 HD22 LEU 155 HD22 LEU 155 7.168 9.724 5.972 1134 HD23 LEU 155 HD23 LEU 155 8.268 8.362 5.760 1135 H HIS 156 H HIS 156 6.684 12.506 9.618 1136 HA HIS 156 HA HIS 156 9.069 14.119 10.038 1137 HB2 HIS 156 HB2 HIS 156 8.049 16.122 9.121 1138 HB3 HIS 156 HB3 HIS 156 8.180 14.880 7.897 1139 HD1 HIS 156 HD1 HIS 156 5.779 17.114 9.581 1140 HD2 HIS 156 HD2 HIS 156 5.645 13.764 7.109 1141 HE1 HIS 156 HE1 HIS 156 3.431 17.017 8.693 1142 HE2 HIS 156 HE2 HIS 156 3.491 15.192 6.959 1143 H GLU 157 H GLU 157 5.568 13.929 10.615 1144 HA GLU 157 HA GLU 157 5.988 14.594 13.404 1145 HB2 GLU 157 HB2 GLU 157 4.320 16.308 11.551 1146 HB3 GLU 157 HB3 GLU 157 4.197 16.371 13.304 1147 HG2 GLU 157 HG2 GLU 157 6.269 17.355 13.546 1148 HG3 GLU 157 HG3 GLU 157 6.842 16.772 11.984 1149 H SER 158 H SER 158 4.441 13.673 14.694 1150 HA SER 158 HA SER 158 2.666 11.805 13.418 1151 HB2 SER 158 HB2 SER 158 2.108 11.187 15.800 1152 HB3 SER 158 HB3 SER 158 3.816 11.041 15.381 1153 HG SER 158 HG SER 158 2.640 13.284 16.670 1154 H LEU 159 H LEU 159 1.125 13.104 12.368 1155 HA LEU 159 HA LEU 159 -0.542 14.838 14.005 1156 HB2 LEU 159 HB2 LEU 159 -0.379 14.264 11.075 1157 HB3 LEU 159 HB3 LEU 159 -1.851 14.951 11.730 1158 HG LEU 159 HG LEU 159 -0.463 16.830 12.661 1159 HD11 LEU 159 HD11 LEU 159 1.666 15.612 10.911 1160 HD12 LEU 159 HD12 LEU 159 1.705 15.757 12.669 1161 HD13 LEU 159 HD13 LEU 159 1.745 17.205 11.663 1162 HD21 LEU 159 HD21 LEU 159 -0.468 16.438 9.672 1163 HD22 LEU 159 HD22 LEU 159 -0.263 17.980 10.505 1164 HD23 LEU 159 HD23 LEU 159 -1.782 17.096 10.646 1165 H GLU 160 H GLU 160 -0.371 11.608 13.316 1166 HA GLU 160 HA GLU 160 -3.185 11.052 13.293 1167 HB2 GLU 160 HB2 GLU 160 -0.847 9.605 12.705 1168 HB3 GLU 160 HB3 GLU 160 -1.566 8.802 14.097 1169 HG2 GLU 160 HG2 GLU 160 -2.824 9.309 11.416 1170 HG3 GLU 160 HG3 GLU 160 -2.405 7.757 12.139 1171 H HIS 161 H HIS 161 -4.170 11.784 15.092 1172 HA HIS 161 HA HIS 161 -3.172 10.742 17.661 1173 HB2 HIS 161 HB2 HIS 161 -4.615 13.327 17.063 1174 HB3 HIS 161 HB3 HIS 161 -4.465 12.674 18.689 1175 HD1 HIS 161 HD1 HIS 161 -2.849 14.932 16.428 1176 HD2 HIS 161 HD2 HIS 161 -1.582 12.312 19.404 1177 HE1 HIS 161 HE1 HIS 161 -0.536 15.692 17.064 1178 HE2 HIS 161 HE2 HIS 161 0.087 14.256 19.040 1179 H HIS 162 H HIS 162 -4.313 9.046 18.166 1180 HA HIS 162 HA HIS 162 -7.235 9.223 18.172 1181 HB2 HIS 162 HB2 HIS 162 -5.594 7.257 16.636 1182 HB3 HIS 162 HB3 HIS 162 -7.062 6.679 17.411 1183 HD1 HIS 162 HD1 HIS 162 -5.899 8.078 14.323 1184 HD2 HIS 162 HD2 HIS 162 -9.405 8.324 16.554 1185 HE1 HIS 162 HE1 HIS 162 -7.683 8.828 12.718 1186 HE2 HIS 162 HE2 HIS 162 -9.829 8.687 14.030 1187 H HIS 163 H HIS 163 -7.926 6.848 19.086 1188 HA HIS 163 HA HIS 163 -6.026 5.919 21.084 1189 HB2 HIS 163 HB2 HIS 163 -7.630 5.944 22.899 1190 HB3 HIS 163 HB3 HIS 163 -7.462 7.574 22.267 1191 HD1 HIS 163 HD1 HIS 163 -9.921 5.138 23.214 1192 HD2 HIS 163 HD2 HIS 163 -9.748 8.282 20.501 1193 HE1 HIS 163 HE1 HIS 163 -12.311 5.684 22.661 1194 HE2 HIS 163 HE2 HIS 163 -12.178 7.750 21.222 1195 H HIS 164 H HIS 164 -6.630 4.896 18.673 1196 HA HIS 164 HA HIS 164 -8.796 3.029 18.680 1197 HB2 HIS 164 HB2 HIS 164 -7.886 4.148 16.637 1198 HB3 HIS 164 HB3 HIS 164 -6.415 3.205 16.814 1199 HD1 HIS 164 HD1 HIS 164 -6.960 2.286 14.392 1200 HD2 HIS 164 HD2 HIS 164 -9.667 1.188 17.346 1201 HE1 HIS 164 HE1 HIS 164 -8.266 0.371 13.429 1202 HE2 HIS 164 HE2 HIS 164 -9.710 -0.431 15.327 1203 H HIS 165 H HIS 165 -5.791 3.017 20.149 1204 HA HIS 165 HA HIS 165 -5.066 0.315 20.024 1205 HB2 HIS 165 HB2 HIS 165 -3.871 0.643 22.102 1206 HB3 HIS 165 HB3 HIS 165 -3.671 2.073 21.102 1207 HD1 HIS 165 HD1 HIS 165 -5.695 0.907 24.122 1208 HD2 HIS 165 HD2 HIS 165 -4.324 4.409 22.334 1209 HE1 HIS 165 HE1 HIS 165 -6.207 2.750 25.750 1210 HE2 HIS 165 HE2 HIS 165 -5.125 4.795 24.764 1211 H HIS 166 H HIS 166 -5.304 -1.280 21.818 1212 HA HIS 166 HA HIS 166 -8.032 -1.846 22.289 1213 HB2 HIS 166 HB2 HIS 166 -5.635 -3.033 23.713 1214 HB3 HIS 166 HB3 HIS 166 -7.249 -3.729 23.623 1215 HD1 HIS 166 HD1 HIS 166 -8.015 -4.540 21.186 1216 HD2 HIS 166 HD2 HIS 166 -3.973 -3.686 21.645 1217 HE1 HIS 166 HE1 HIS 166 -6.867 -5.585 19.201 1218 HE2 HIS 166 HE2 HIS 166 -4.467 -4.818 19.377 Start of MODEL 6 1 H1 MET 1 H1 MET 1 5.436 -13.361 18.137 2 H2 MET 1 H2 MET 1 6.523 -12.072 18.309 3 H3 MET 1 H3 MET 1 6.555 -13.359 19.408 4 HA MET 1 HA MET 1 7.291 -14.871 17.744 5 HB2 MET 1 HB2 MET 1 6.104 -13.856 15.846 6 HB3 MET 1 HB3 MET 1 7.192 -12.474 15.897 7 HG2 MET 1 HG2 MET 1 7.774 -14.039 14.117 8 HG3 MET 1 HG3 MET 1 9.064 -13.889 15.307 9 HE1 MET 1 HE1 MET 1 6.197 -17.509 15.066 10 HE2 MET 1 HE2 MET 1 6.119 -16.119 13.984 11 HE3 MET 1 HE3 MET 1 5.700 -15.933 15.686 12 H ASP 2 H ASP 2 9.347 -15.288 18.136 13 HA ASP 2 HA ASP 2 11.553 -15.070 18.635 14 HB2 ASP 2 HB2 ASP 2 11.396 -13.515 16.523 15 HB3 ASP 2 HB3 ASP 2 11.562 -12.210 17.691 16 H PHE 3 H PHE 3 12.969 -12.808 19.651 17 HA PHE 3 HA PHE 3 11.729 -12.699 22.284 18 HB2 PHE 3 HB2 PHE 3 14.094 -13.281 22.161 19 HB3 PHE 3 HB3 PHE 3 14.446 -11.779 21.313 20 HD1 PHE 3 HD2 PHE 3 13.134 -13.102 24.533 21 HD2 PHE 3 HD1 PHE 3 15.020 -9.867 22.505 22 HE1 PHE 3 HE2 PHE 3 13.528 -11.983 26.690 23 HE2 PHE 3 HE1 PHE 3 15.417 -8.745 24.660 24 HZ PHE 3 HZ PHE 3 14.674 -9.804 26.755 25 H GLU 4 H GLU 4 10.251 -11.159 22.543 26 HA GLU 4 HA GLU 4 9.393 -9.084 22.898 27 HB2 GLU 4 HB2 GLU 4 11.669 -8.470 23.646 28 HB3 GLU 4 HB3 GLU 4 12.101 -8.071 21.992 29 HG2 GLU 4 HG2 GLU 4 11.617 -6.097 23.353 30 HG3 GLU 4 HG3 GLU 4 10.529 -6.251 21.973 31 H CYS 5 H CYS 5 8.545 -7.213 21.716 32 HA CYS 5 HA CYS 5 7.948 -7.844 18.988 33 HB2 CYS 5 HB2 CYS 5 7.355 -5.336 20.578 34 HB3 CYS 5 HB3 CYS 5 6.626 -5.772 19.034 35 HG CYS 5 HG CYS 5 4.988 -6.147 21.476 36 H GLN 6 H GLN 6 9.254 -7.440 17.339 37 HA GLN 6 HA GLN 6 11.265 -5.314 17.651 38 HB2 GLN 6 HB2 GLN 6 11.387 -7.814 15.957 39 HB3 GLN 6 HB3 GLN 6 12.660 -6.607 16.103 40 HG2 GLN 6 HG2 GLN 6 13.017 -7.158 18.397 41 HG3 GLN 6 HG3 GLN 6 11.600 -8.207 18.421 42 HE21 GLN 6 HE21 GLN 6 12.750 -9.992 19.054 43 HE22 GLN 6 HE22 GLN 6 13.832 -10.834 17.991 44 H PHE 7 H PHE 7 10.114 -3.622 16.762 45 HA PHE 7 HA PHE 7 9.082 -3.883 14.052 46 HB2 PHE 7 HB2 PHE 7 9.088 -1.531 15.959 47 HB3 PHE 7 HB3 PHE 7 8.360 -1.518 14.357 48 HD1 PHE 7 HD2 PHE 7 6.347 -2.833 13.896 49 HD2 PHE 7 HD1 PHE 7 8.021 -2.617 17.804 50 HE1 PHE 7 HE2 PHE 7 4.242 -3.691 14.839 51 HE2 PHE 7 HE1 PHE 7 5.919 -3.473 18.752 52 HZ PHE 7 HZ PHE 7 4.027 -4.011 17.271 53 H VAL 8 H VAL 8 10.891 -4.134 12.789 54 HA VAL 8 HA VAL 8 13.209 -2.494 13.046 55 HB VAL 8 HB VAL 8 12.345 -4.162 10.674 56 HG11 VAL 8 HG11 VAL 8 14.742 -4.178 10.111 57 HG12 VAL 8 HG12 VAL 8 15.049 -3.067 11.445 58 HG13 VAL 8 HG13 VAL 8 14.059 -2.552 10.079 59 HG21 VAL 8 HG21 VAL 8 12.488 -5.495 12.721 60 HG22 VAL 8 HG22 VAL 8 14.130 -4.906 12.987 61 HG23 VAL 8 HG23 VAL 8 13.770 -5.913 11.585 62 H CYS 9 H CYS 9 13.036 -0.369 12.715 63 HA CYS 9 HA CYS 9 11.285 0.688 10.656 64 HB2 CYS 9 HB2 CYS 9 13.119 2.146 12.571 65 HB3 CYS 9 HB3 CYS 9 11.854 2.869 11.584 66 HG CYS 9 HG CYS 9 10.925 0.446 13.759 67 H GLU 10 H GLU 10 11.998 0.863 8.630 68 HA GLU 10 HA GLU 10 14.849 1.477 8.213 69 HB2 GLU 10 HB2 GLU 10 13.716 -0.984 7.716 70 HB3 GLU 10 HB3 GLU 10 13.633 -0.207 6.145 71 HG2 GLU 10 HG2 GLU 10 16.153 -0.410 7.770 72 HG3 GLU 10 HG3 GLU 10 15.672 -1.591 6.555 73 H LEU 11 H LEU 11 15.321 2.474 6.171 74 HA LEU 11 HA LEU 11 13.154 4.242 5.334 75 HB2 LEU 11 HB2 LEU 11 15.340 5.213 5.916 76 HB3 LEU 11 HB3 LEU 11 16.098 4.271 4.647 77 HG LEU 11 HG LEU 11 14.727 5.498 2.973 78 HD11 LEU 11 HD11 LEU 11 12.861 6.140 4.368 79 HD12 LEU 11 HD12 LEU 11 13.621 7.580 3.687 80 HD13 LEU 11 HD13 LEU 11 13.917 7.138 5.368 81 HD21 LEU 11 HD21 LEU 11 15.994 7.583 3.104 82 HD22 LEU 11 HD22 LEU 11 17.012 6.190 3.467 83 HD23 LEU 11 HD23 LEU 11 16.427 7.218 4.774 84 H LYS 12 H LYS 12 11.930 3.645 3.690 85 HA LYS 12 HA LYS 12 13.127 2.007 1.557 86 HB2 LYS 12 HB2 LYS 12 10.254 2.347 2.420 87 HB3 LYS 12 HB3 LYS 12 10.711 1.566 0.917 88 HG2 LYS 12 HG2 LYS 12 11.650 0.626 3.613 89 HG3 LYS 12 HG3 LYS 12 10.182 0.039 2.835 90 HD2 LYS 12 HD2 LYS 12 11.732 -1.561 2.216 91 HD3 LYS 12 HD3 LYS 12 11.762 -0.471 0.829 92 HE2 LYS 12 HE2 LYS 12 14.019 -1.107 1.503 93 HE3 LYS 12 HE3 LYS 12 13.754 0.622 1.732 94 HZ1 LYS 12 HZ1 LYS 12 14.898 -0.366 3.624 95 HZ2 LYS 12 HZ2 LYS 12 13.612 -1.446 3.864 96 HZ3 LYS 12 HZ3 LYS 12 13.375 0.215 4.078 97 H GLU 13 H GLU 13 13.501 2.952 -0.324 98 HA GLU 13 HA GLU 13 12.368 5.576 -0.855 99 HB2 GLU 13 HB2 GLU 13 14.746 5.170 -1.339 100 HB3 GLU 13 HB3 GLU 13 14.301 3.898 -2.469 101 HG2 GLU 13 HG2 GLU 13 13.182 5.528 -3.883 102 HG3 GLU 13 HG3 GLU 13 13.583 6.809 -2.739 103 H LEU 14 H LEU 14 10.557 5.830 -1.937 104 HA LEU 14 HA LEU 14 9.143 3.608 -3.013 105 HB2 LEU 14 HB2 LEU 14 8.593 6.568 -3.235 106 HB3 LEU 14 HB3 LEU 14 7.480 5.301 -3.717 107 HG LEU 14 HG LEU 14 8.461 5.782 -0.901 108 HD11 LEU 14 HD11 LEU 14 6.948 7.536 -1.716 109 HD12 LEU 14 HD12 LEU 14 6.209 6.557 -0.451 110 HD13 LEU 14 HD13 LEU 14 5.761 6.302 -2.137 111 HD21 LEU 14 HD21 LEU 14 7.988 3.429 -1.327 112 HD22 LEU 14 HD22 LEU 14 6.403 3.853 -1.973 113 HD23 LEU 14 HD23 LEU 14 6.765 4.133 -0.270 114 H ALA 15 H ALA 15 9.715 2.667 -4.826 115 HA ALA 15 HA ALA 15 10.972 4.143 -6.981 116 HB1 ALA 15 HB1 ALA 15 11.218 1.956 -8.049 117 HB2 ALA 15 HB2 ALA 15 10.237 1.219 -6.782 118 HB3 ALA 15 HB3 ALA 15 11.809 1.916 -6.387 119 HA PRO 16 HA PRO 16 7.170 4.637 -9.189 120 HB2 PRO 16 HB2 PRO 16 8.481 4.965 -11.703 121 HB3 PRO 16 HB3 PRO 16 7.931 6.228 -10.604 122 HG2 PRO 16 HG2 PRO 16 10.578 5.649 -11.209 123 HG3 PRO 16 HG3 PRO 16 10.021 6.588 -9.817 124 HD2 PRO 16 HD2 PRO 16 10.896 3.744 -9.960 125 HD3 PRO 16 HD3 PRO 16 11.083 4.924 -8.645 126 H VAL 17 H VAL 17 6.107 2.720 -9.244 127 HA VAL 17 HA VAL 17 6.828 0.831 -11.397 128 HB VAL 17 HB VAL 17 5.751 0.159 -8.643 129 HG11 VAL 17 HG11 VAL 17 4.925 -1.380 -10.342 130 HG12 VAL 17 HG12 VAL 17 6.071 -2.173 -9.259 131 HG13 VAL 17 HG13 VAL 17 6.580 -1.684 -10.874 132 HG21 VAL 17 HG21 VAL 17 8.083 0.817 -8.539 133 HG22 VAL 17 HG22 VAL 17 8.480 -0.327 -9.821 134 HG23 VAL 17 HG23 VAL 17 7.917 -0.916 -8.257 135 HA PRO 18 HA PRO 18 2.580 1.452 -12.649 136 HB2 PRO 18 HB2 PRO 18 2.748 -1.123 -14.035 137 HB3 PRO 18 HB3 PRO 18 2.560 0.497 -14.709 138 HG2 PRO 18 HG2 PRO 18 4.838 -0.921 -14.980 139 HG3 PRO 18 HG3 PRO 18 4.829 0.848 -14.844 140 HD2 PRO 18 HD2 PRO 18 5.447 -1.211 -12.757 141 HD3 PRO 18 HD3 PRO 18 6.255 0.336 -13.088 142 H ALA 19 H ALA 19 0.782 1.035 -11.593 143 HA ALA 19 HA ALA 19 0.198 -1.708 -10.725 144 HB1 ALA 19 HB1 ALA 19 1.119 -0.547 -8.775 145 HB2 ALA 19 HB2 ALA 19 -0.593 -0.911 -8.554 146 HB3 ALA 19 HB3 ALA 19 -0.087 0.728 -8.963 147 H LEU 20 H LEU 20 -2.082 -2.113 -10.438 148 HA LEU 20 HA LEU 20 -3.761 -0.168 -11.856 149 HB2 LEU 20 HB2 LEU 20 -3.910 -3.129 -11.524 150 HB3 LEU 20 HB3 LEU 20 -5.406 -2.238 -11.729 151 HG LEU 20 HG LEU 20 -4.463 -1.294 -13.858 152 HD11 LEU 20 HD11 LEU 20 -2.583 -2.495 -14.889 153 HD12 LEU 20 HD12 LEU 20 -2.326 -3.362 -13.374 154 HD13 LEU 20 HD13 LEU 20 -2.104 -1.613 -13.439 155 HD21 LEU 20 HD21 LEU 20 -6.046 -3.131 -13.882 156 HD22 LEU 20 HD22 LEU 20 -4.732 -4.289 -13.672 157 HD23 LEU 20 HD23 LEU 20 -4.841 -3.339 -15.154 158 H LEU 21 H LEU 21 -5.173 0.992 -10.776 159 HA LEU 21 HA LEU 21 -6.213 0.110 -8.231 160 HB2 LEU 21 HB2 LEU 21 -5.322 2.374 -7.239 161 HB3 LEU 21 HB3 LEU 21 -4.337 0.924 -7.223 162 HG LEU 21 HG LEU 21 -3.310 1.799 -9.405 163 HD11 LEU 21 HD11 LEU 21 -4.575 4.350 -8.423 164 HD12 LEU 21 HD12 LEU 21 -4.961 3.497 -9.917 165 HD13 LEU 21 HD13 LEU 21 -3.369 4.224 -9.703 166 HD21 LEU 21 HD21 LEU 21 -1.721 3.201 -8.194 167 HD22 LEU 21 HD22 LEU 21 -2.122 1.747 -7.280 168 HD23 LEU 21 HD23 LEU 21 -2.836 3.296 -6.832 169 H ILE 22 H ILE 22 -7.493 1.948 -7.206 170 HA ILE 22 HA ILE 22 -8.770 3.642 -9.222 171 HB ILE 22 HB ILE 22 -10.286 1.813 -9.091 172 HG12 ILE 22 HG12 ILE 22 -12.288 2.759 -7.928 173 HG13 ILE 22 HG13 ILE 22 -11.245 3.990 -7.225 174 HG21 ILE 22 HG21 ILE 22 -9.406 0.685 -7.151 175 HG22 ILE 22 HG22 ILE 22 -11.151 0.899 -6.981 176 HG23 ILE 22 HG23 ILE 22 -10.041 1.946 -6.092 177 HD11 ILE 22 HD11 ILE 22 -11.719 3.579 -10.166 178 HD12 ILE 22 HD12 ILE 22 -10.736 4.847 -9.432 179 HD13 ILE 22 HD13 ILE 22 -12.477 4.814 -9.161 180 H ARG 23 H ARG 23 -9.265 5.664 -8.475 181 HA ARG 23 HA ARG 23 -8.173 6.399 -5.912 182 HB2 ARG 23 HB2 ARG 23 -9.660 8.037 -7.970 183 HB3 ARG 23 HB3 ARG 23 -8.919 8.689 -6.519 184 HG2 ARG 23 HG2 ARG 23 -6.724 7.815 -7.379 185 HG3 ARG 23 HG3 ARG 23 -7.555 7.475 -8.900 186 HD2 ARG 23 HD2 ARG 23 -7.308 10.160 -7.551 187 HD3 ARG 23 HD3 ARG 23 -6.450 9.634 -8.999 188 HE ARG 23 HE ARG 23 -8.523 9.687 -10.191 189 HH11 ARG 23 HH11 ARG 23 -8.721 11.009 -6.935 190 HH12 ARG 23 HH12 ARG 23 -10.107 12.000 -7.303 191 HH21 ARG 23 HH21 ARG 23 -10.362 10.952 -10.647 192 HH22 ARG 23 HH22 ARG 23 -11.037 11.967 -9.410 193 H THR 24 H THR 24 -9.258 6.465 -4.082 194 HA THR 24 HA THR 24 -12.176 6.780 -4.210 195 HB THR 24 HB THR 24 -10.717 4.911 -2.332 196 HG1 THR 24 HG1 THR 24 -10.996 4.440 -4.771 197 HG21 THR 24 HG21 THR 24 -13.665 5.271 -2.890 198 HG22 THR 24 HG22 THR 24 -12.817 5.836 -1.450 199 HG23 THR 24 HG23 THR 24 -12.952 4.107 -1.774 200 H GLN 25 H GLN 25 -12.722 8.578 -3.149 201 HA GLN 25 HA GLN 25 -11.047 9.630 -1.066 202 HB2 GLN 25 HB2 GLN 25 -13.112 11.216 -0.807 203 HB3 GLN 25 HB3 GLN 25 -12.030 11.381 -2.181 204 HG2 GLN 25 HG2 GLN 25 -14.022 11.478 -3.238 205 HG3 GLN 25 HG3 GLN 25 -13.749 9.744 -3.308 206 HE21 GLN 25 HE21 GLN 25 -15.926 9.260 -3.461 207 HE22 GLN 25 HE22 GLN 25 -17.015 9.443 -2.130 208 H THR 26 H THR 26 -11.092 9.034 0.931 209 HA THR 26 HA THR 26 -13.072 7.027 1.672 210 HB THR 26 HB THR 26 -10.682 6.470 1.929 211 HG1 THR 26 HG1 THR 26 -11.623 6.611 4.569 212 HG21 THR 26 HG21 THR 26 -10.697 8.635 4.037 213 HG22 THR 26 HG22 THR 26 -9.819 8.678 2.508 214 HG23 THR 26 HG23 THR 26 -9.380 7.499 3.743 215 H ALA 27 H ALA 27 -14.292 7.064 3.517 216 HA ALA 27 HA ALA 27 -14.747 9.646 4.753 217 HB1 ALA 27 HB1 ALA 27 -16.101 6.989 5.226 218 HB2 ALA 27 HB2 ALA 27 -16.666 8.254 4.133 219 HB3 ALA 27 HB3 ALA 27 -16.619 8.547 5.871 220 H MET 28 H MET 28 -15.346 9.068 7.331 221 HA MET 28 HA MET 28 -12.699 8.949 8.412 222 HB2 MET 28 HB2 MET 28 -15.379 9.215 9.778 223 HB3 MET 28 HB3 MET 28 -13.826 9.377 10.585 224 HG2 MET 28 HG2 MET 28 -13.286 11.288 9.160 225 HG3 MET 28 HG3 MET 28 -14.853 11.133 8.368 226 HE1 MET 28 HE1 MET 28 -15.281 14.396 10.498 227 HE2 MET 28 HE2 MET 28 -15.400 13.679 8.890 228 HE3 MET 28 HE3 MET 28 -13.825 13.849 9.665 229 H SER 29 H SER 29 -15.503 6.798 8.441 230 HA SER 29 HA SER 29 -13.785 4.660 9.447 231 HB2 SER 29 HB2 SER 29 -14.801 5.733 11.451 232 HB3 SER 29 HB3 SER 29 -16.401 5.382 10.799 233 HG SER 29 HG SER 29 -15.872 3.166 10.896 234 H GLU 30 H GLU 30 -14.956 5.127 6.873 235 HA GLU 30 HA GLU 30 -17.084 3.097 6.754 236 HB2 GLU 30 HB2 GLU 30 -17.432 5.424 5.781 237 HB3 GLU 30 HB3 GLU 30 -16.258 4.985 4.549 238 HG2 GLU 30 HG2 GLU 30 -17.705 3.091 3.903 239 HG3 GLU 30 HG3 GLU 30 -18.900 3.645 5.075 240 H LEU 31 H LEU 31 -14.043 2.812 6.903 241 HA LEU 31 HA LEU 31 -13.071 2.000 4.389 242 HB2 LEU 31 HB2 LEU 31 -12.121 1.479 7.193 243 HB3 LEU 31 HB3 LEU 31 -11.278 0.856 5.794 244 HG LEU 31 HG LEU 31 -11.057 3.257 5.005 245 HD11 LEU 31 HD11 LEU 31 -11.886 3.830 7.844 246 HD12 LEU 31 HD12 LEU 31 -12.794 4.247 6.392 247 HD13 LEU 31 HD13 LEU 31 -11.231 5.001 6.700 248 HD21 LEU 31 HD21 LEU 31 -9.140 3.691 6.431 249 HD22 LEU 31 HD22 LEU 31 -9.217 1.983 5.995 250 HD23 LEU 31 HD23 LEU 31 -9.722 2.507 7.601 251 H GLY 32 H GLY 32 -14.850 0.295 6.868 252 HA2 GLY 32 HA2 GLY 32 -13.996 -2.325 6.368 253 HA3 GLY 32 HA3 GLY 32 -15.544 -1.880 7.067 254 H SER 33 H SER 33 -17.143 -0.999 5.352 255 HA SER 33 HA SER 33 -17.630 -3.133 3.560 256 HB2 SER 33 HB2 SER 33 -18.934 -0.402 3.634 257 HB3 SER 33 HB3 SER 33 -19.589 -1.856 2.879 258 HG SER 33 HG SER 33 -19.838 -2.784 4.883 259 H LEU 34 H LEU 34 -16.082 -0.027 3.201 260 HA LEU 34 HA LEU 34 -16.341 0.240 0.404 261 HB2 LEU 34 HB2 LEU 34 -15.633 1.962 2.207 262 HB3 LEU 34 HB3 LEU 34 -14.021 1.317 1.979 263 HG LEU 34 HG LEU 34 -15.657 2.492 -0.270 264 HD11 LEU 34 HD11 LEU 34 -14.300 4.511 0.020 265 HD12 LEU 34 HD12 LEU 34 -13.577 3.811 1.468 266 HD13 LEU 34 HD13 LEU 34 -15.299 4.187 1.437 267 HD21 LEU 34 HD21 LEU 34 -13.842 0.994 -0.954 268 HD22 LEU 34 HD22 LEU 34 -12.702 1.940 0.005 269 HD23 LEU 34 HD23 LEU 34 -13.497 2.668 -1.392 270 H PHE 35 H PHE 35 -13.578 -0.886 2.376 271 HA PHE 35 HA PHE 35 -12.001 -1.524 0.094 272 HB2 PHE 35 HB2 PHE 35 -11.714 -2.095 3.031 273 HB3 PHE 35 HB3 PHE 35 -10.583 -2.755 1.857 274 HD1 PHE 35 HD2 PHE 35 -12.163 0.549 2.627 275 HD2 PHE 35 HD1 PHE 35 -8.645 -1.594 1.566 276 HE1 PHE 35 HE2 PHE 35 -10.874 2.645 2.680 277 HE2 PHE 35 HE1 PHE 35 -7.349 0.494 1.616 278 HZ PHE 35 HZ PHE 35 -8.464 2.620 2.175 279 H GLU 36 H GLU 36 -14.031 -3.445 2.264 280 HA GLU 36 HA GLU 36 -13.260 -5.985 1.358 281 HB2 GLU 36 HB2 GLU 36 -14.610 -5.620 3.390 282 HB3 GLU 36 HB3 GLU 36 -15.972 -5.124 2.390 283 HG2 GLU 36 HG2 GLU 36 -15.959 -7.367 1.344 284 HG3 GLU 36 HG3 GLU 36 -14.686 -7.844 2.466 285 H ALA 37 H ALA 37 -16.137 -4.089 0.425 286 HA ALA 37 HA ALA 37 -16.888 -5.805 -1.686 287 HB1 ALA 37 HB1 ALA 37 -17.533 -2.885 -1.297 288 HB2 ALA 37 HB2 ALA 37 -18.451 -4.245 -0.651 289 HB3 ALA 37 HB3 ALA 37 -18.362 -3.992 -2.393 290 H GLY 38 H GLY 38 -14.897 -2.914 -1.528 291 HA2 GLY 38 HA2 GLY 38 -14.590 -2.337 -4.214 292 HA3 GLY 38 HA3 GLY 38 -13.378 -2.026 -2.983 293 H TYR 39 H TYR 39 -12.515 -4.469 -2.237 294 HA TYR 39 HA TYR 39 -10.703 -5.128 -4.245 295 HB2 TYR 39 HB2 TYR 39 -10.234 -5.666 -1.939 296 HB3 TYR 39 HB3 TYR 39 -11.619 -6.747 -1.867 297 HD1 TYR 39 HD2 TYR 39 -8.326 -6.297 -3.545 298 HD2 TYR 39 HD1 TYR 39 -11.376 -9.016 -2.361 299 HE1 TYR 39 HE2 TYR 39 -6.893 -8.185 -4.203 300 HE2 TYR 39 HE1 TYR 39 -9.954 -10.909 -3.018 301 HH TYR 39 HH TYR 39 -6.660 -10.606 -3.642 302 H HIS 40 H HIS 40 -13.772 -6.687 -3.411 303 HA HIS 40 HA HIS 40 -13.465 -8.808 -5.307 304 HB2 HIS 40 HB2 HIS 40 -15.838 -7.798 -3.746 305 HB3 HIS 40 HB3 HIS 40 -15.958 -9.134 -4.887 306 HD1 HIS 40 HD1 HIS 40 -15.635 -11.377 -3.882 307 HD2 HIS 40 HD2 HIS 40 -13.760 -8.400 -1.663 308 HE1 HIS 40 HE1 HIS 40 -14.680 -12.532 -1.866 309 HE2 HIS 40 HE2 HIS 40 -13.380 -10.753 -0.648 310 H ASP 41 H ASP 41 -14.816 -5.606 -5.380 311 HA ASP 41 HA ASP 41 -16.307 -6.006 -7.813 312 HB2 ASP 41 HB2 ASP 41 -17.171 -4.482 -6.152 313 HB3 ASP 41 HB3 ASP 41 -15.687 -3.537 -6.183 314 H ILE 42 H ILE 42 -13.178 -4.672 -6.930 315 HA ILE 42 HA ILE 42 -12.809 -3.466 -9.542 316 HB ILE 42 HB ILE 42 -10.648 -2.714 -8.756 317 HG12 ILE 42 HG12 ILE 42 -11.198 -4.176 -6.167 318 HG13 ILE 42 HG13 ILE 42 -10.147 -4.800 -7.433 319 HG21 ILE 42 HG21 ILE 42 -11.369 -1.303 -6.885 320 HG22 ILE 42 HG22 ILE 42 -12.799 -2.316 -6.681 321 HG23 ILE 42 HG23 ILE 42 -12.585 -1.381 -8.161 322 HD11 ILE 42 HD11 ILE 42 -9.742 -2.227 -5.929 323 HD12 ILE 42 HD12 ILE 42 -8.678 -2.882 -7.174 324 HD13 ILE 42 HD13 ILE 42 -8.882 -3.741 -5.646 325 H LEU 43 H LEU 43 -10.880 -3.868 -10.798 326 HA LEU 43 HA LEU 43 -9.437 -5.138 -11.993 327 HB2 LEU 43 HB2 LEU 43 -8.447 -5.336 -9.648 328 HB3 LEU 43 HB3 LEU 43 -9.208 -6.913 -9.568 329 HG LEU 43 HG LEU 43 -7.902 -7.558 -11.615 330 HD11 LEU 43 HD11 LEU 43 -6.447 -4.982 -11.040 331 HD12 LEU 43 HD12 LEU 43 -7.449 -5.314 -12.452 332 HD13 LEU 43 HD13 LEU 43 -5.955 -6.216 -12.200 333 HD21 LEU 43 HD21 LEU 43 -5.812 -7.904 -10.400 334 HD22 LEU 43 HD22 LEU 43 -7.212 -8.245 -9.385 335 HD23 LEU 43 HD23 LEU 43 -6.323 -6.735 -9.182 336 H GLN 44 H GLN 44 -12.303 -5.772 -11.913 337 HA GLN 44 HA GLN 44 -12.696 -8.573 -11.875 338 HB2 GLN 44 HB2 GLN 44 -14.473 -6.840 -11.565 339 HB3 GLN 44 HB3 GLN 44 -14.366 -6.487 -13.284 340 HG2 GLN 44 HG2 GLN 44 -15.152 -8.656 -13.857 341 HG3 GLN 44 HG3 GLN 44 -15.038 -9.201 -12.184 342 HE21 GLN 44 HE21 GLN 44 -16.559 -8.514 -10.696 343 HE22 GLN 44 HE22 GLN 44 -18.068 -7.815 -11.175 344 H LEU 45 H LEU 45 -11.524 -6.379 -14.265 345 HA LEU 45 HA LEU 45 -11.990 -8.018 -16.544 346 HB2 LEU 45 HB2 LEU 45 -11.612 -5.600 -16.693 347 HB3 LEU 45 HB3 LEU 45 -9.982 -5.808 -16.092 348 HG LEU 45 HG LEU 45 -10.675 -7.293 -18.567 349 HD11 LEU 45 HD11 LEU 45 -10.265 -4.305 -18.508 350 HD12 LEU 45 HD12 LEU 45 -11.751 -5.139 -18.962 351 HD13 LEU 45 HD13 LEU 45 -10.303 -5.313 -19.954 352 HD21 LEU 45 HD21 LEU 45 -8.439 -7.391 -17.546 353 HD22 LEU 45 HD22 LEU 45 -8.290 -5.642 -17.727 354 HD23 LEU 45 HD23 LEU 45 -8.399 -6.671 -19.155 355 H LEU 46 H LEU 46 -9.634 -8.019 -14.025 356 HA LEU 46 HA LEU 46 -7.841 -9.794 -15.513 357 HB2 LEU 46 HB2 LEU 46 -7.042 -7.878 -14.020 358 HB3 LEU 46 HB3 LEU 46 -7.546 -8.853 -12.665 359 HG LEU 46 HG LEU 46 -5.563 -9.915 -14.664 360 HD11 LEU 46 HD11 LEU 46 -4.705 -7.773 -13.850 361 HD12 LEU 46 HD12 LEU 46 -3.777 -9.131 -13.214 362 HD13 LEU 46 HD13 LEU 46 -4.953 -8.309 -12.187 363 HD21 LEU 46 HD21 LEU 46 -4.868 -11.304 -12.795 364 HD22 LEU 46 HD22 LEU 46 -6.597 -11.498 -13.090 365 HD23 LEU 46 HD23 LEU 46 -6.038 -10.507 -11.743 366 H ALA 47 H ALA 47 -9.499 -9.677 -12.395 367 HA ALA 47 HA ALA 47 -9.110 -12.331 -11.642 368 HB1 ALA 47 HB1 ALA 47 -10.938 -11.994 -10.075 369 HB2 ALA 47 HB2 ALA 47 -11.446 -10.553 -10.955 370 HB3 ALA 47 HB3 ALA 47 -9.890 -10.577 -10.124 371 H GLY 48 H GLY 48 -11.732 -10.886 -13.532 372 HA2 GLY 48 HA2 GLY 48 -13.057 -13.456 -13.820 373 HA3 GLY 48 HA3 GLY 48 -13.599 -11.917 -14.474 374 H GLN 49 H GLN 49 -10.337 -12.473 -15.103 375 HA GLN 49 HA GLN 49 -10.957 -13.336 -17.842 376 HB2 GLN 49 HB2 GLN 49 -9.687 -11.199 -17.505 377 HB3 GLN 49 HB3 GLN 49 -8.390 -12.138 -16.778 378 HG2 GLN 49 HG2 GLN 49 -8.074 -13.342 -18.867 379 HG3 GLN 49 HG3 GLN 49 -9.391 -12.430 -19.602 380 HE21 GLN 49 HE21 GLN 49 -8.608 -9.964 -18.212 381 HE22 GLN 49 HE22 GLN 49 -7.213 -9.380 -19.056 382 H GLY 50 H GLY 50 -9.457 -14.278 -14.893 383 HA2 GLY 50 HA2 GLY 50 -9.203 -16.635 -14.491 384 HA3 GLY 50 HA3 GLY 50 -8.746 -16.825 -16.174 385 H LYS 51 H LYS 51 -7.283 -14.122 -14.666 386 HA LYS 51 HA LYS 51 -4.820 -15.696 -14.365 387 HB2 LYS 51 HB2 LYS 51 -5.110 -12.708 -14.713 388 HB3 LYS 51 HB3 LYS 51 -3.590 -13.577 -14.551 389 HG2 LYS 51 HG2 LYS 51 -4.594 -14.893 -16.640 390 HG3 LYS 51 HG3 LYS 51 -5.409 -13.344 -16.869 391 HD2 LYS 51 HD2 LYS 51 -3.380 -13.230 -18.089 392 HD3 LYS 51 HD3 LYS 51 -3.143 -12.254 -16.640 393 HE2 LYS 51 HE2 LYS 51 -1.909 -14.025 -15.587 394 HE3 LYS 51 HE3 LYS 51 -2.272 -15.130 -16.912 395 HZ1 LYS 51 HZ1 LYS 51 -0.123 -14.414 -17.346 396 HZ2 LYS 51 HZ2 LYS 51 -0.430 -12.813 -16.890 397 HZ3 LYS 51 HZ3 LYS 51 -1.054 -13.413 -18.351 398 H SER 52 H SER 52 -3.289 -14.654 -12.695 399 HA SER 52 HA SER 52 -4.857 -14.224 -10.247 400 HB2 SER 52 HB2 SER 52 -2.736 -15.123 -9.112 401 HB3 SER 52 HB3 SER 52 -3.719 -16.282 -10.006 402 HG SER 52 HG SER 52 -2.208 -16.450 -11.514 403 HA PRO 53 HA PRO 53 -2.962 -10.258 -9.769 404 HB2 PRO 53 HB2 PRO 53 -2.981 -10.662 -6.861 405 HB3 PRO 53 HB3 PRO 53 -3.885 -9.500 -7.836 406 HG2 PRO 53 HG2 PRO 53 -5.081 -11.590 -6.630 407 HG3 PRO 53 HG3 PRO 53 -5.633 -10.956 -8.191 408 HD2 PRO 53 HD2 PRO 53 -3.964 -13.376 -7.613 409 HD3 PRO 53 HD3 PRO 53 -5.288 -13.171 -8.780 410 H SER 54 H SER 54 -1.056 -9.193 -8.940 411 HA SER 54 HA SER 54 1.235 -10.909 -8.947 412 HB2 SER 54 HB2 SER 54 1.159 -8.615 -9.980 413 HB3 SER 54 HB3 SER 54 1.122 -7.944 -8.352 414 HG SER 54 HG SER 54 3.139 -9.178 -8.028 415 H GLY 55 H GLY 55 -0.797 -9.543 -6.549 416 HA2 GLY 55 HA2 GLY 55 0.289 -10.987 -4.430 417 HA3 GLY 55 HA3 GLY 55 1.005 -9.380 -4.387 418 HA PRO 56 HA PRO 56 -3.033 -9.173 -2.135 419 HB2 PRO 56 HB2 PRO 56 -2.086 -8.052 0.124 420 HB3 PRO 56 HB3 PRO 56 -2.022 -9.795 -0.155 421 HG2 PRO 56 HG2 PRO 56 0.137 -7.746 -0.464 422 HG3 PRO 56 HG3 PRO 56 0.227 -9.369 0.246 423 HD2 PRO 56 HD2 PRO 56 1.041 -8.783 -2.296 424 HD3 PRO 56 HD3 PRO 56 0.453 -10.381 -1.798 425 HA PRO 57 HA PRO 57 -3.842 -4.913 -3.031 426 HB2 PRO 57 HB2 PRO 57 -5.300 -4.564 -0.499 427 HB3 PRO 57 HB3 PRO 57 -5.902 -4.503 -2.157 428 HG2 PRO 57 HG2 PRO 57 -6.489 -6.540 -0.503 429 HG3 PRO 57 HG3 PRO 57 -6.272 -6.776 -2.247 430 HD2 PRO 57 HD2 PRO 57 -4.373 -7.347 -0.002 431 HD3 PRO 57 HD3 PRO 57 -4.716 -8.303 -1.459 432 H PHE 58 H PHE 58 -2.931 -2.940 -2.741 433 HA PHE 58 HA PHE 58 -1.568 -2.454 -0.167 434 HB2 PHE 58 HB2 PHE 58 -0.589 -1.482 -2.859 435 HB3 PHE 58 HB3 PHE 58 0.256 -1.400 -1.318 436 HD1 PHE 58 HD1 PHE 58 0.383 -3.910 -0.185 437 HD2 PHE 58 HD2 PHE 58 0.278 -2.979 -4.331 438 HE1 PHE 58 HE1 PHE 58 1.494 -6.045 -0.689 439 HE2 PHE 58 HE2 PHE 58 1.388 -5.110 -4.843 440 HZ PHE 58 HZ PHE 58 2.000 -6.648 -3.020 441 H ALA 59 H ALA 59 -2.425 -0.753 0.847 442 HA ALA 59 HA ALA 59 -4.045 1.099 -0.740 443 HB1 ALA 59 HB1 ALA 59 -5.102 1.733 1.339 444 HB2 ALA 59 HB2 ALA 59 -3.965 0.742 2.252 445 HB3 ALA 59 HB3 ALA 59 -5.126 -0.023 1.168 446 H ARG 60 H ARG 60 -2.948 2.791 -1.447 447 HA ARG 60 HA ARG 60 -0.975 4.038 0.327 448 HB2 ARG 60 HB2 ARG 60 -0.331 5.385 -1.638 449 HB3 ARG 60 HB3 ARG 60 -0.274 3.667 -2.006 450 HG2 ARG 60 HG2 ARG 60 -2.526 3.896 -3.054 451 HG3 ARG 60 HG3 ARG 60 -2.393 5.640 -2.828 452 HD2 ARG 60 HD2 ARG 60 -0.434 3.953 -4.380 453 HD3 ARG 60 HD3 ARG 60 -1.762 4.851 -5.104 454 HE ARG 60 HE ARG 60 0.378 6.217 -3.577 455 HH11 ARG 60 HH11 ARG 60 -1.661 5.896 -6.427 456 HH12 ARG 60 HH12 ARG 60 -0.919 7.236 -7.252 457 HH21 ARG 60 HH21 ARG 60 1.316 8.008 -4.648 458 HH22 ARG 60 HH22 ARG 60 0.759 8.435 -6.241 459 H TYR 61 H TYR 61 -1.188 6.110 1.069 460 HA TYR 61 HA TYR 61 -3.911 7.225 0.880 461 HB2 TYR 61 HB2 TYR 61 -1.975 7.229 3.205 462 HB3 TYR 61 HB3 TYR 61 -3.487 8.132 3.177 463 HD1 TYR 61 HD1 TYR 61 -2.042 4.724 3.137 464 HD2 TYR 61 HD2 TYR 61 -5.556 7.065 3.634 465 HE1 TYR 61 HE1 TYR 61 -3.239 2.743 3.965 466 HE2 TYR 61 HE2 TYR 61 -6.762 5.090 4.466 467 HH TYR 61 HH TYR 61 -5.179 2.204 5.328 468 H PHE 62 H PHE 62 -3.943 9.012 -0.297 469 HA PHE 62 HA PHE 62 -1.524 10.698 -0.328 470 HB2 PHE 62 HB2 PHE 62 -2.007 9.395 -2.426 471 HB3 PHE 62 HB3 PHE 62 -3.496 10.318 -2.588 472 HD1 PHE 62 HD1 PHE 62 0.192 10.666 -2.408 473 HD2 PHE 62 HD2 PHE 62 -3.494 12.396 -3.654 474 HE1 PHE 62 HE1 PHE 62 1.428 12.413 -3.625 475 HE2 PHE 62 HE2 PHE 62 -2.263 14.143 -4.872 476 HZ PHE 62 HZ PHE 62 0.198 14.154 -4.856 477 H GLY 63 H GLY 63 -1.767 12.919 -0.380 478 HA2 GLY 63 HA2 GLY 63 -3.169 14.872 -0.746 479 HA3 GLY 63 HA3 GLY 63 -4.507 13.965 -0.056 480 H MET 64 H MET 64 -3.717 13.008 2.227 481 HA MET 64 HA MET 64 -3.610 13.545 4.417 482 HB2 MET 64 HB2 MET 64 -1.281 15.175 3.405 483 HB3 MET 64 HB3 MET 64 -1.656 14.983 5.113 484 HG2 MET 64 HG2 MET 64 -0.972 12.781 3.180 485 HG3 MET 64 HG3 MET 64 0.077 13.439 4.435 486 HE1 MET 64 HE1 MET 64 -0.543 10.316 4.097 487 HE2 MET 64 HE2 MET 64 -0.772 9.851 5.782 488 HE3 MET 64 HE3 MET 64 0.516 10.974 5.345 489 H SER 65 H SER 65 -5.696 14.559 4.015 490 HA SER 65 HA SER 65 -5.660 17.317 4.942 491 HB2 SER 65 HB2 SER 65 -7.259 16.440 2.516 492 HB3 SER 65 HB3 SER 65 -7.270 18.049 3.242 493 HG SER 65 HG SER 65 -4.745 17.273 2.684 494 H ALA 66 H ALA 66 -7.777 17.949 5.833 495 HA ALA 66 HA ALA 66 -9.033 15.667 7.098 496 HB1 ALA 66 HB1 ALA 66 -10.181 17.297 8.486 497 HB2 ALA 66 HB2 ALA 66 -9.580 18.610 7.474 498 HB3 ALA 66 HB3 ALA 66 -8.454 17.646 8.427 499 H GLY 67 H GLY 67 -11.054 14.931 6.734 500 HA2 GLY 67 HA2 GLY 67 -13.248 14.965 5.910 501 HA3 GLY 67 HA3 GLY 67 -12.866 16.437 5.024 502 H THR 68 H THR 68 -11.369 16.179 3.161 503 HA THR 68 HA THR 68 -12.087 13.767 1.684 504 HB THR 68 HB THR 68 -10.754 16.283 0.660 505 HG1 THR 68 HG1 THR 68 -13.389 15.637 1.240 506 HG21 THR 68 HG21 THR 68 -11.451 15.475 -1.541 507 HG22 THR 68 HG22 THR 68 -12.143 14.030 -0.802 508 HG23 THR 68 HG23 THR 68 -10.400 14.296 -0.753 509 H PHE 69 H PHE 69 -10.687 12.196 1.281 510 HA PHE 69 HA PHE 69 -7.812 12.680 1.462 511 HB2 PHE 69 HB2 PHE 69 -8.788 12.022 3.738 512 HB3 PHE 69 HB3 PHE 69 -9.117 10.449 3.029 513 HD1 PHE 69 HD2 PHE 69 -6.133 12.511 2.350 514 HD2 PHE 69 HD1 PHE 69 -7.722 9.134 4.389 515 HE1 PHE 69 HE2 PHE 69 -3.854 11.793 2.935 516 HE2 PHE 69 HE1 PHE 69 -5.448 8.417 4.982 517 HZ PHE 69 HZ PHE 69 -3.510 9.747 4.251 518 H GLU 70 H GLU 70 -6.692 11.461 -0.014 519 HA GLU 70 HA GLU 70 -8.357 9.860 -1.811 520 HB2 GLU 70 HB2 GLU 70 -6.900 11.701 -2.680 521 HB3 GLU 70 HB3 GLU 70 -5.497 10.792 -2.138 522 HG2 GLU 70 HG2 GLU 70 -5.698 10.385 -4.443 523 HG3 GLU 70 HG3 GLU 70 -6.271 8.927 -3.637 524 H VAL 71 H VAL 71 -8.353 7.694 -1.669 525 HA VAL 71 HA VAL 71 -5.879 6.409 -0.721 526 HB VAL 71 HB VAL 71 -7.097 4.721 0.479 527 HG11 VAL 71 HG11 VAL 71 -8.084 6.048 2.271 528 HG12 VAL 71 HG12 VAL 71 -8.146 7.451 1.205 529 HG13 VAL 71 HG13 VAL 71 -6.588 6.776 1.686 530 HG21 VAL 71 HG21 VAL 71 -9.531 4.773 0.763 531 HG22 VAL 71 HG22 VAL 71 -9.072 4.519 -0.921 532 HG23 VAL 71 HG23 VAL 71 -9.631 6.104 -0.390 533 H GLU 72 H GLU 72 -5.133 4.771 -1.898 534 HA GLU 72 HA GLU 72 -6.921 3.587 -3.918 535 HB2 GLU 72 HB2 GLU 72 -3.979 4.197 -4.277 536 HB3 GLU 72 HB3 GLU 72 -5.007 3.385 -5.448 537 HG2 GLU 72 HG2 GLU 72 -6.349 5.398 -5.693 538 HG3 GLU 72 HG3 GLU 72 -5.359 6.215 -4.486 539 H PHE 73 H PHE 73 -7.382 1.749 -2.891 540 HA PHE 73 HA PHE 73 -5.438 0.216 -1.450 541 HB2 PHE 73 HB2 PHE 73 -7.330 -1.433 -1.208 542 HB3 PHE 73 HB3 PHE 73 -7.626 0.173 -0.560 543 HD1 PHE 73 HD1 PHE 73 -9.103 1.744 -1.810 544 HD2 PHE 73 HD2 PHE 73 -8.687 -2.346 -2.910 545 HE1 PHE 73 HE1 PHE 73 -11.195 1.881 -3.099 546 HE2 PHE 73 HE2 PHE 73 -10.774 -2.213 -4.205 547 HZ PHE 73 HZ PHE 73 -12.030 -0.097 -4.302 548 H GLY 74 H GLY 74 -5.779 0.549 -4.653 549 HA2 GLY 74 HA2 GLY 74 -5.972 -2.074 -5.668 550 HA3 GLY 74 HA3 GLY 74 -5.284 -0.701 -6.515 551 H PHE 75 H PHE 75 -3.900 -2.517 -7.357 552 HA PHE 75 HA PHE 75 -1.396 -2.545 -5.992 553 HB2 PHE 75 HB2 PHE 75 -1.311 -5.102 -5.852 554 HB3 PHE 75 HB3 PHE 75 -2.229 -4.257 -4.615 555 HD1 PHE 75 HD2 PHE 75 -4.652 -4.395 -4.552 556 HD2 PHE 75 HD1 PHE 75 -2.401 -6.526 -7.467 557 HE1 PHE 75 HE2 PHE 75 -6.617 -5.796 -5.033 558 HE2 PHE 75 HE1 PHE 75 -4.362 -7.930 -7.954 559 HZ PHE 75 HZ PHE 75 -6.471 -7.567 -6.738 560 HA PRO 76 HA PRO 76 0.194 -3.240 -10.062 561 HB2 PRO 76 HB2 PRO 76 2.342 -4.867 -9.492 562 HB3 PRO 76 HB3 PRO 76 2.344 -3.109 -9.321 563 HG2 PRO 76 HG2 PRO 76 1.935 -5.215 -7.241 564 HG3 PRO 76 HG3 PRO 76 2.862 -3.705 -7.144 565 HD2 PRO 76 HD2 PRO 76 0.423 -3.922 -6.049 566 HD3 PRO 76 HD3 PRO 76 0.967 -2.415 -6.816 567 H VAL 77 H VAL 77 0.724 -4.972 -11.630 568 HA VAL 77 HA VAL 77 -0.948 -7.330 -11.046 569 HB VAL 77 HB VAL 77 -1.498 -7.364 -13.480 570 HG11 VAL 77 HG11 VAL 77 -3.136 -5.547 -13.370 571 HG12 VAL 77 HG12 VAL 77 -2.285 -4.869 -11.983 572 HG13 VAL 77 HG13 VAL 77 -3.061 -6.447 -11.855 573 HG21 VAL 77 HG21 VAL 77 0.397 -6.059 -14.302 574 HG22 VAL 77 HG22 VAL 77 -0.217 -4.632 -13.466 575 HG23 VAL 77 HG23 VAL 77 -1.131 -5.334 -14.800 576 H GLU 78 H GLU 78 -0.555 -9.009 -12.919 577 HA GLU 78 HA GLU 78 2.027 -10.064 -12.465 578 HB2 GLU 78 HB2 GLU 78 -0.006 -11.424 -12.807 579 HB3 GLU 78 HB3 GLU 78 -0.088 -10.878 -14.472 580 HG2 GLU 78 HG2 GLU 78 2.368 -12.266 -13.517 581 HG3 GLU 78 HG3 GLU 78 0.920 -13.208 -13.858 582 H GLY 79 H GLY 79 0.613 -8.185 -15.048 583 HA2 GLY 79 HA2 GLY 79 2.047 -6.786 -16.385 584 HA3 GLY 79 HA3 GLY 79 3.278 -8.039 -16.286 585 H GLY 80 H GLY 80 0.518 -6.876 -17.953 586 HA2 GLY 80 HA2 GLY 80 0.549 -7.600 -20.371 587 HA3 GLY 80 HA3 GLY 80 0.569 -9.239 -19.730 588 H VAL 81 H VAL 81 -1.245 -6.769 -18.129 589 HA VAL 81 HA VAL 81 -3.734 -7.950 -19.176 590 HB VAL 81 HB VAL 81 -3.452 -6.799 -16.403 591 HG11 VAL 81 HG11 VAL 81 -5.715 -6.921 -17.252 592 HG12 VAL 81 HG12 VAL 81 -5.487 -8.101 -15.962 593 HG13 VAL 81 HG13 VAL 81 -5.502 -8.627 -17.644 594 HG21 VAL 81 HG21 VAL 81 -3.189 -9.700 -17.191 595 HG22 VAL 81 HG22 VAL 81 -3.293 -9.087 -15.540 596 HG23 VAL 81 HG23 VAL 81 -1.907 -8.672 -16.548 597 H GLU 82 H GLU 82 -5.539 -6.494 -19.282 598 HA GLU 82 HA GLU 82 -4.718 -3.834 -20.062 599 HB2 GLU 82 HB2 GLU 82 -7.462 -5.104 -20.104 600 HB3 GLU 82 HB3 GLU 82 -7.025 -3.580 -20.855 601 HG2 GLU 82 HG2 GLU 82 -7.142 -5.182 -22.576 602 HG3 GLU 82 HG3 GLU 82 -5.432 -4.861 -22.305 603 H GLY 83 H GLY 83 -6.033 -1.952 -19.376 604 HA2 GLY 83 HA2 GLY 83 -6.351 -1.749 -16.564 605 HA3 GLY 83 HA3 GLY 83 -6.924 -0.584 -17.755 606 H SER 84 H SER 84 -8.257 -1.635 -15.327 607 HA SER 84 HA SER 84 -10.267 -3.464 -16.368 608 HB2 SER 84 HB2 SER 84 -9.036 -3.573 -14.053 609 HB3 SER 84 HB3 SER 84 -10.256 -2.399 -13.562 610 HG SER 84 HG SER 84 -11.813 -3.877 -13.773 611 H GLY 85 H GLY 85 -10.037 -0.478 -17.006 612 HA2 GLY 85 HA2 GLY 85 -11.583 1.092 -17.677 613 HA3 GLY 85 HA3 GLY 85 -12.853 0.002 -17.137 614 H ARG 86 H ARG 86 -13.290 -0.072 -14.830 615 HA ARG 86 HA ARG 86 -13.489 2.485 -13.615 616 HB2 ARG 86 HB2 ARG 86 -15.032 0.545 -13.225 617 HB3 ARG 86 HB3 ARG 86 -13.742 -0.247 -12.334 618 HG2 ARG 86 HG2 ARG 86 -13.781 1.504 -10.664 619 HG3 ARG 86 HG3 ARG 86 -15.017 2.375 -11.578 620 HD2 ARG 86 HD2 ARG 86 -15.290 -0.364 -10.339 621 HD3 ARG 86 HD3 ARG 86 -16.040 1.123 -9.760 622 HE ARG 86 HE ARG 86 -17.090 1.068 -12.158 623 HH11 ARG 86 HH11 ARG 86 -16.611 -1.616 -9.947 624 HH12 ARG 86 HH12 ARG 86 -17.845 -2.595 -10.677 625 HH21 ARG 86 HH21 ARG 86 -18.740 -0.234 -13.105 626 HH22 ARG 86 HH22 ARG 86 -19.077 -1.803 -12.430 627 H VAL 87 H VAL 87 -11.304 -0.214 -13.380 628 HA VAL 87 HA VAL 87 -9.637 1.167 -11.408 629 HB VAL 87 HB VAL 87 -9.387 -1.623 -12.554 630 HG11 VAL 87 HG11 VAL 87 -7.238 -0.741 -11.827 631 HG12 VAL 87 HG12 VAL 87 -7.794 -2.015 -10.741 632 HG13 VAL 87 HG13 VAL 87 -7.927 -0.322 -10.260 633 HG21 VAL 87 HG21 VAL 87 -10.445 -0.680 -9.898 634 HG22 VAL 87 HG22 VAL 87 -10.195 -2.363 -10.361 635 HG23 VAL 87 HG23 VAL 87 -11.388 -1.380 -11.213 636 H VAL 88 H VAL 88 -8.002 2.378 -12.123 637 HA VAL 88 HA VAL 88 -7.224 2.094 -14.942 638 HB VAL 88 HB VAL 88 -6.381 4.402 -14.781 639 HG11 VAL 88 HG11 VAL 88 -8.656 4.030 -15.549 640 HG12 VAL 88 HG12 VAL 88 -8.564 5.520 -14.610 641 HG13 VAL 88 HG13 VAL 88 -9.243 4.062 -13.886 642 HG21 VAL 88 HG21 VAL 88 -6.930 5.769 -12.806 643 HG22 VAL 88 HG22 VAL 88 -5.806 4.466 -12.420 644 HG23 VAL 88 HG23 VAL 88 -7.508 4.321 -11.980 645 H THR 89 H THR 89 -4.910 2.856 -15.372 646 HA THR 89 HA THR 89 -3.142 1.389 -13.587 647 HB THR 89 HB THR 89 -1.447 1.771 -15.399 648 HG1 THR 89 HG1 THR 89 -2.010 3.433 -16.628 649 HG21 THR 89 HG21 THR 89 -2.486 0.238 -17.021 650 HG22 THR 89 HG22 THR 89 -4.056 0.512 -16.263 651 HG23 THR 89 HG23 THR 89 -2.767 -0.285 -15.360 652 H GLY 90 H GLY 90 -1.493 2.306 -12.442 653 HA2 GLY 90 HA2 GLY 90 -0.839 5.122 -12.820 654 HA3 GLY 90 HA3 GLY 90 -1.535 4.684 -11.263 655 H LEU 91 H LEU 91 0.719 5.633 -10.713 656 HA LEU 91 HA LEU 91 2.418 3.374 -10.133 657 HB2 LEU 91 HB2 LEU 91 4.409 4.158 -11.140 658 HB3 LEU 91 HB3 LEU 91 3.181 4.200 -12.386 659 HG LEU 91 HG LEU 91 4.063 6.636 -10.833 660 HD11 LEU 91 HD11 LEU 91 4.932 5.703 -13.566 661 HD12 LEU 91 HD12 LEU 91 5.931 5.716 -12.113 662 HD13 LEU 91 HD13 LEU 91 5.362 7.235 -12.806 663 HD21 LEU 91 HD21 LEU 91 1.839 6.812 -11.817 664 HD22 LEU 91 HD22 LEU 91 2.485 6.331 -13.386 665 HD23 LEU 91 HD23 LEU 91 2.985 7.857 -12.657 666 H THR 92 H THR 92 4.076 3.886 -8.581 667 HA THR 92 HA THR 92 3.272 5.986 -6.765 668 HB THR 92 HB THR 92 5.361 4.958 -5.513 669 HG1 THR 92 HG1 THR 92 6.235 3.425 -6.702 670 HG21 THR 92 HG21 THR 92 3.054 4.758 -4.739 671 HG22 THR 92 HG22 THR 92 3.897 3.218 -4.566 672 HG23 THR 92 HG23 THR 92 2.765 3.462 -5.897 673 HA PRO 93 HA PRO 93 6.467 8.792 -8.117 674 HB2 PRO 93 HB2 PRO 93 6.420 10.525 -6.063 675 HB3 PRO 93 HB3 PRO 93 5.099 10.429 -7.233 676 HG2 PRO 93 HG2 PRO 93 5.271 9.302 -4.471 677 HG3 PRO 93 HG3 PRO 93 3.897 10.071 -5.284 678 HD2 PRO 93 HD2 PRO 93 4.227 7.351 -5.021 679 HD3 PRO 93 HD3 PRO 93 3.257 8.123 -6.289 680 H SER 94 H SER 94 8.582 9.605 -7.433 681 HA SER 94 HA SER 94 9.949 7.597 -5.839 682 HB2 SER 94 HB2 SER 94 11.116 9.898 -7.419 683 HB3 SER 94 HB3 SER 94 11.979 8.484 -6.807 684 HG SER 94 HG SER 94 10.082 7.451 -8.180 685 H GLY 95 H GLY 95 10.782 7.918 -3.855 686 HA2 GLY 95 HA2 GLY 95 11.736 10.314 -2.799 687 HA3 GLY 95 HA3 GLY 95 10.040 10.195 -2.346 688 H LYS 96 H LYS 96 11.681 10.273 -0.288 689 HA LYS 96 HA LYS 96 12.385 7.539 0.504 690 HB2 LYS 96 HB2 LYS 96 12.815 10.001 2.181 691 HB3 LYS 96 HB3 LYS 96 13.700 8.486 2.216 692 HG2 LYS 96 HG2 LYS 96 13.803 10.450 -0.059 693 HG3 LYS 96 HG3 LYS 96 14.951 10.411 1.274 694 HD2 LYS 96 HD2 LYS 96 15.560 8.101 0.646 695 HD3 LYS 96 HD3 LYS 96 14.455 8.209 -0.729 696 HE2 LYS 96 HE2 LYS 96 15.737 10.029 -1.669 697 HE3 LYS 96 HE3 LYS 96 16.788 10.065 -0.254 698 HZ1 LYS 96 HZ1 LYS 96 17.831 8.929 -2.105 699 HZ2 LYS 96 HZ2 LYS 96 16.552 7.818 -2.191 700 HZ3 LYS 96 HZ3 LYS 96 17.563 7.844 -0.827 701 H ALA 97 H ALA 97 11.199 6.406 1.971 702 HA ALA 97 HA ALA 97 9.255 7.867 3.620 703 HB1 ALA 97 HB1 ALA 97 7.554 6.157 3.183 704 HB2 ALA 97 HB2 ALA 97 8.639 5.380 2.030 705 HB3 ALA 97 HB3 ALA 97 8.026 7.000 1.708 706 H ALA 98 H ALA 98 8.909 7.031 5.648 707 HA ALA 98 HA ALA 98 10.796 5.059 6.608 708 HB1 ALA 98 HB1 ALA 98 8.583 6.537 8.039 709 HB2 ALA 98 HB2 ALA 98 10.289 6.988 8.004 710 HB3 ALA 98 HB3 ALA 98 9.786 5.503 8.810 711 H SER 99 H SER 99 10.392 2.926 6.617 712 HA SER 99 HA SER 99 7.575 2.084 6.539 713 HB2 SER 99 HB2 SER 99 8.743 2.003 4.292 714 HB3 SER 99 HB3 SER 99 9.795 0.764 4.971 715 HG SER 99 HG SER 99 7.003 0.662 4.521 716 H SER 100 H SER 100 7.035 0.362 7.721 717 HA SER 100 HA SER 100 8.960 -1.537 8.693 718 HB2 SER 100 HB2 SER 100 9.040 0.429 10.338 719 HB3 SER 100 HB3 SER 100 7.383 0.003 10.767 720 HG SER 100 HG SER 100 9.724 -1.579 11.035 721 H LEU 101 H LEU 101 7.647 -3.170 10.181 722 HA LEU 101 HA LEU 101 5.005 -3.387 8.922 723 HB2 LEU 101 HB2 LEU 101 5.416 -5.942 9.328 724 HB3 LEU 101 HB3 LEU 101 6.004 -5.132 7.893 725 HG LEU 101 HG LEU 101 8.248 -4.945 9.020 726 HD11 LEU 101 HD11 LEU 101 8.738 -6.376 10.899 727 HD12 LEU 101 HD12 LEU 101 7.060 -6.918 10.964 728 HD13 LEU 101 HD13 LEU 101 7.460 -5.242 11.340 729 HD21 LEU 101 HD21 LEU 101 8.840 -7.266 8.563 730 HD22 LEU 101 HD22 LEU 101 7.745 -6.632 7.334 731 HD23 LEU 101 HD23 LEU 101 7.133 -7.710 8.587 732 H TYR 102 H TYR 102 3.300 -3.675 10.107 733 HA TYR 102 HA TYR 102 3.607 -4.128 12.984 734 HB2 TYR 102 HB2 TYR 102 2.259 -2.230 12.542 735 HB3 TYR 102 HB3 TYR 102 1.381 -3.049 11.258 736 HD1 TYR 102 HD2 TYR 102 1.980 -3.369 14.944 737 HD2 TYR 102 HD1 TYR 102 -0.733 -3.787 11.697 738 HE1 TYR 102 HE2 TYR 102 0.191 -3.981 16.521 739 HE2 TYR 102 HE1 TYR 102 -2.519 -4.404 13.256 740 HH TYR 102 HH TYR 102 -2.847 -5.243 15.426 741 H ILE 103 H ILE 103 3.101 -6.049 13.872 742 HA ILE 103 HA ILE 103 2.179 -8.141 12.051 743 HB ILE 103 HB ILE 103 3.437 -8.401 14.792 744 HG12 ILE 103 HG12 ILE 103 5.312 -9.457 13.310 745 HG13 ILE 103 HG13 ILE 103 4.572 -8.530 12.010 746 HG21 ILE 103 HG21 ILE 103 1.974 -10.269 14.304 747 HG22 ILE 103 HG22 ILE 103 3.660 -10.782 14.244 748 HG23 ILE 103 HG23 ILE 103 2.765 -10.512 12.748 749 HD11 ILE 103 HD11 ILE 103 5.661 -7.391 14.576 750 HD12 ILE 103 HD12 ILE 103 4.957 -6.471 13.246 751 HD13 ILE 103 HD13 ILE 103 6.463 -7.357 13.005 752 H GLY 104 H GLY 104 0.191 -8.969 12.182 753 HA2 GLY 104 HA2 GLY 104 -1.354 -10.142 13.709 754 HA3 GLY 104 HA3 GLY 104 -1.225 -8.746 14.768 755 HA PRO 105 HA PRO 105 -4.976 -8.163 12.046 756 HB2 PRO 105 HB2 PRO 105 -6.746 -7.844 14.076 757 HB3 PRO 105 HB3 PRO 105 -6.351 -9.429 13.402 758 HG2 PRO 105 HG2 PRO 105 -5.311 -8.115 15.883 759 HG3 PRO 105 HG3 PRO 105 -5.826 -9.795 15.638 760 HD2 PRO 105 HD2 PRO 105 -3.221 -9.047 15.643 761 HD3 PRO 105 HD3 PRO 105 -3.828 -10.395 14.662 762 H TYR 106 H TYR 106 -6.639 -6.234 12.493 763 HA TYR 106 HA TYR 106 -4.850 -3.951 12.866 764 HB2 TYR 106 HB2 TYR 106 -6.115 -4.120 10.752 765 HB3 TYR 106 HB3 TYR 106 -7.623 -4.080 11.656 766 HD1 TYR 106 HD1 TYR 106 -4.650 -2.090 10.710 767 HD2 TYR 106 HD2 TYR 106 -8.559 -2.024 12.398 768 HE1 TYR 106 HE1 TYR 106 -4.657 0.368 10.587 769 HE2 TYR 106 HE2 TYR 106 -8.572 0.431 12.280 770 HH TYR 106 HH TYR 106 -6.865 2.284 12.219 771 H GLY 107 H GLY 107 -5.071 -2.491 14.406 772 HA2 GLY 107 HA2 GLY 107 -7.316 -1.681 15.776 773 HA3 GLY 107 HA3 GLY 107 -6.690 -3.056 16.680 774 H GLU 108 H GLU 108 -4.480 -2.950 17.435 775 HA GLU 108 HA GLU 108 -3.819 -0.264 18.328 776 HB2 GLU 108 HB2 GLU 108 -2.592 -2.937 19.049 777 HB3 GLU 108 HB3 GLU 108 -2.245 -1.401 19.836 778 HG2 GLU 108 HG2 GLU 108 -4.555 -1.247 20.588 779 HG3 GLU 108 HG3 GLU 108 -4.931 -2.767 19.777 780 H ILE 109 H ILE 109 -3.426 -0.311 15.707 781 HA ILE 109 HA ILE 109 -0.887 -1.297 14.863 782 HB ILE 109 HB ILE 109 -2.772 -0.985 13.300 783 HG12 ILE 109 HG12 ILE 109 -0.363 0.706 12.593 784 HG13 ILE 109 HG13 ILE 109 -0.443 -1.047 12.460 785 HG21 ILE 109 HG21 ILE 109 -3.350 1.259 12.498 786 HG22 ILE 109 HG22 ILE 109 -2.278 1.959 13.712 787 HG23 ILE 109 HG23 ILE 109 -3.710 1.056 14.213 788 HD11 ILE 109 HD11 ILE 109 -2.202 -0.839 10.784 789 HD12 ILE 109 HD12 ILE 109 -0.743 0.025 10.301 790 HD13 ILE 109 HD13 ILE 109 -2.131 0.919 10.924 791 H GLU 110 H GLU 110 -1.845 1.459 16.589 792 HA GLU 110 HA GLU 110 -0.058 3.411 15.693 793 HB2 GLU 110 HB2 GLU 110 -1.909 3.963 17.150 794 HB3 GLU 110 HB3 GLU 110 -1.238 2.974 18.440 795 HG2 GLU 110 HG2 GLU 110 0.602 4.475 18.719 796 HG3 GLU 110 HG3 GLU 110 0.123 5.400 17.297 797 H ALA 111 H ALA 111 0.495 0.572 17.564 798 HA ALA 111 HA ALA 111 2.733 1.206 19.057 799 HB1 ALA 111 HB1 ALA 111 2.202 -1.394 17.627 800 HB2 ALA 111 HB2 ALA 111 1.540 -0.933 19.196 801 HB3 ALA 111 HB3 ALA 111 3.280 -1.158 19.004 802 H VAL 112 H VAL 112 2.528 0.459 15.601 803 HA VAL 112 HA VAL 112 5.389 0.354 15.308 804 HB VAL 112 HB VAL 112 3.879 -0.959 13.842 805 HG11 VAL 112 HG11 VAL 112 3.197 1.708 12.620 806 HG12 VAL 112 HG12 VAL 112 2.099 0.657 13.516 807 HG13 VAL 112 HG13 VAL 112 2.754 0.132 11.965 808 HG21 VAL 112 HG21 VAL 112 5.659 0.992 12.389 809 HG22 VAL 112 HG22 VAL 112 5.105 -0.564 11.768 810 HG23 VAL 112 HG23 VAL 112 6.176 -0.504 13.168 811 H TYR 113 H TYR 113 2.879 2.775 14.895 812 HA TYR 113 HA TYR 113 4.498 4.721 13.596 813 HB2 TYR 113 HB2 TYR 113 2.042 5.079 15.334 814 HB3 TYR 113 HB3 TYR 113 2.780 6.349 14.369 815 HD1 TYR 113 HD1 TYR 113 0.766 3.299 14.293 816 HD2 TYR 113 HD2 TYR 113 2.521 6.382 11.948 817 HE1 TYR 113 HE1 TYR 113 -0.653 2.654 12.396 818 HE2 TYR 113 HE2 TYR 113 1.105 5.744 10.039 819 HH TYR 113 HH TYR 113 -0.164 3.887 9.221 820 H ASP 114 H ASP 114 3.948 3.754 16.878 821 HA ASP 114 HA ASP 114 5.163 5.960 18.178 822 HB2 ASP 114 HB2 ASP 114 3.609 4.346 19.255 823 HB3 ASP 114 HB3 ASP 114 4.855 3.109 19.150 824 H ALA 115 H ALA 115 6.402 3.167 16.579 825 HA ALA 115 HA ALA 115 9.055 3.450 17.718 826 HB1 ALA 115 HB1 ALA 115 9.659 1.604 16.236 827 HB2 ALA 115 HB2 ALA 115 8.066 1.682 15.482 828 HB3 ALA 115 HB3 ALA 115 8.219 1.222 17.179 829 H LEU 116 H LEU 116 7.318 4.251 14.780 830 HA LEU 116 HA LEU 116 9.599 5.031 13.270 831 HB2 LEU 116 HB2 LEU 116 6.677 5.700 12.940 832 HB3 LEU 116 HB3 LEU 116 7.920 6.132 11.783 833 HG LEU 116 HG LEU 116 7.172 3.309 12.560 834 HD11 LEU 116 HD11 LEU 116 6.560 4.912 10.079 835 HD12 LEU 116 HD12 LEU 116 5.401 4.369 11.292 836 HD13 LEU 116 HD13 LEU 116 6.241 3.190 10.286 837 HD21 LEU 116 HD21 LEU 116 8.594 2.658 10.680 838 HD22 LEU 116 HD22 LEU 116 9.517 3.514 11.913 839 HD23 LEU 116 HD23 LEU 116 9.043 4.344 10.430 840 H MET 117 H MET 117 7.578 6.661 15.594 841 HA MET 117 HA MET 117 8.062 9.299 14.746 842 HB2 MET 117 HB2 MET 117 7.208 10.018 16.903 843 HB3 MET 117 HB3 MET 117 6.210 8.738 16.239 844 HG2 MET 117 HG2 MET 117 6.343 8.139 18.443 845 HG3 MET 117 HG3 MET 117 7.646 7.186 17.740 846 HE1 MET 117 HE1 MET 117 7.346 7.796 20.894 847 HE2 MET 117 HE2 MET 117 9.039 8.095 21.291 848 HE3 MET 117 HE3 MET 117 8.613 6.797 20.178 849 H LYS 118 H LYS 118 9.889 7.215 16.950 850 HA LYS 118 HA LYS 118 11.709 9.307 17.655 851 HB2 LYS 118 HB2 LYS 118 12.995 7.549 18.744 852 HB3 LYS 118 HB3 LYS 118 11.301 7.426 19.176 853 HG2 LYS 118 HG2 LYS 118 11.139 5.376 18.341 854 HG3 LYS 118 HG3 LYS 118 11.979 5.821 16.855 855 HD2 LYS 118 HD2 LYS 118 13.299 5.177 19.495 856 HD3 LYS 118 HD3 LYS 118 13.184 4.087 18.111 857 HE2 LYS 118 HE2 LYS 118 14.438 5.753 16.760 858 HE3 LYS 118 HE3 LYS 118 14.637 6.732 18.213 859 HZ1 LYS 118 HZ1 LYS 118 15.676 3.983 17.784 860 HZ2 LYS 118 HZ2 LYS 118 15.812 4.851 19.234 861 HZ3 LYS 118 HZ3 LYS 118 16.590 5.407 17.834 862 H TRP 119 H TRP 119 11.456 6.939 15.136 863 HA TRP 119 HA TRP 119 14.202 6.846 14.428 864 HB2 TRP 119 HB2 TRP 119 12.531 5.097 13.821 865 HB3 TRP 119 HB3 TRP 119 11.798 6.232 12.694 866 HD1 TRP 119 HD1 TRP 119 15.050 4.231 13.210 867 HE1 TRP 119 HE1 TRP 119 16.200 3.943 10.922 868 HE3 TRP 119 HE3 TRP 119 11.953 7.160 10.378 869 HZ2 TRP 119 HZ2 TRP 119 15.826 4.835 8.268 870 HZ3 TRP 119 HZ3 TRP 119 12.420 7.384 7.972 871 HH2 TRP 119 HH2 TRP 119 14.317 6.247 6.941 872 H VAL 120 H VAL 120 11.427 8.657 13.146 873 HA VAL 120 HA VAL 120 12.900 10.037 11.153 874 HB VAL 120 HB VAL 120 10.448 9.851 11.110 875 HG11 VAL 120 HG11 VAL 120 9.053 11.316 12.484 876 HG12 VAL 120 HG12 VAL 120 10.483 11.813 13.389 877 HG13 VAL 120 HG13 VAL 120 9.935 10.137 13.458 878 HG21 VAL 120 HG21 VAL 120 11.476 12.678 11.152 879 HG22 VAL 120 HG22 VAL 120 9.971 12.153 10.397 880 HG23 VAL 120 HG23 VAL 120 11.518 11.569 9.784 881 H ASP 121 H ASP 121 12.132 10.706 14.498 882 HA ASP 121 HA ASP 121 13.159 13.314 14.684 883 HB2 ASP 121 HB2 ASP 121 11.765 12.323 16.438 884 HB3 ASP 121 HB3 ASP 121 13.021 11.143 16.790 885 H ASP 122 H ASP 122 14.680 10.172 15.272 886 HA ASP 122 HA ASP 122 17.235 11.112 15.962 887 HB2 ASP 122 HB2 ASP 122 16.647 8.852 16.462 888 HB3 ASP 122 HB3 ASP 122 16.305 8.501 14.773 889 H ASN 123 H ASN 123 15.927 10.100 12.817 890 HA ASN 123 HA ASN 123 18.372 10.526 11.422 891 HB2 ASN 123 HB2 ASN 123 15.533 10.081 10.553 892 HB3 ASN 123 HB3 ASN 123 16.773 10.508 9.378 893 HD21 ASN 123 HD21 ASN 123 15.685 8.097 11.653 894 HD22 ASN 123 HD22 ASN 123 16.655 6.804 11.033 895 H GLY 124 H GLY 124 15.650 12.563 12.206 896 HA2 GLY 124 HA2 GLY 124 15.443 14.848 12.115 897 HA3 GLY 124 HA3 GLY 124 17.157 14.919 11.732 898 H PHE 125 H PHE 125 14.301 13.612 10.054 899 HA PHE 125 HA PHE 125 14.914 15.368 7.786 900 HB2 PHE 125 HB2 PHE 125 15.896 13.013 7.525 901 HB3 PHE 125 HB3 PHE 125 14.236 12.449 7.415 902 HD1 PHE 125 HD2 PHE 125 16.234 15.240 5.941 903 HD2 PHE 125 HD1 PHE 125 13.544 12.015 5.279 904 HE1 PHE 125 HE2 PHE 125 16.229 15.744 3.534 905 HE2 PHE 125 HE1 PHE 125 13.535 12.510 2.871 906 HZ PHE 125 HZ PHE 125 14.879 14.378 1.996 907 H ASP 126 H ASP 126 13.061 15.313 6.170 908 HA ASP 126 HA ASP 126 10.524 14.341 7.119 909 HB2 ASP 126 HB2 ASP 126 9.433 16.299 7.628 910 HB3 ASP 126 HB3 ASP 126 11.048 16.719 8.181 911 H LEU 127 H LEU 127 9.051 14.132 5.488 912 HA LEU 127 HA LEU 127 9.459 15.540 2.982 913 HB2 LEU 127 HB2 LEU 127 9.547 12.552 3.253 914 HB3 LEU 127 HB3 LEU 127 8.929 13.290 1.789 915 HG LEU 127 HG LEU 127 11.711 13.629 2.911 916 HD11 LEU 127 HD11 LEU 127 11.291 11.447 1.894 917 HD12 LEU 127 HD12 LEU 127 12.397 12.414 0.918 918 HD13 LEU 127 HD13 LEU 127 10.710 12.241 0.430 919 HD21 LEU 127 HD21 LEU 127 10.501 14.744 0.381 920 HD22 LEU 127 HD22 LEU 127 12.183 14.896 0.889 921 HD23 LEU 127 HD23 LEU 127 10.906 15.677 1.821 922 H SER 128 H SER 128 7.588 15.849 1.831 923 HA SER 128 HA SER 128 5.137 15.057 3.250 924 HB2 SER 128 HB2 SER 128 5.536 17.407 1.385 925 HB3 SER 128 HB3 SER 128 4.111 17.068 2.369 926 HG SER 128 HG SER 128 6.702 17.852 3.208 927 H GLY 129 H GLY 129 5.630 13.024 1.937 928 HA2 GLY 129 HA2 GLY 129 4.719 13.258 -0.840 929 HA3 GLY 129 HA3 GLY 129 5.517 11.860 -0.131 930 H GLU 130 H GLU 130 4.311 10.235 0.646 931 HA GLU 130 HA GLU 130 1.506 10.625 1.269 932 HB2 GLU 130 HB2 GLU 130 0.767 8.875 -0.300 933 HB3 GLU 130 HB3 GLU 130 1.446 10.261 -1.143 934 HG2 GLU 130 HG2 GLU 130 3.563 9.040 -1.399 935 HG3 GLU 130 HG3 GLU 130 2.833 7.644 -0.607 936 H ALA 131 H ALA 131 0.529 8.496 1.982 937 HA ALA 131 HA ALA 131 2.524 6.911 3.449 938 HB1 ALA 131 HB1 ALA 131 -0.474 7.064 3.786 939 HB2 ALA 131 HB2 ALA 131 0.724 7.891 4.782 940 HB3 ALA 131 HB3 ALA 131 0.635 6.131 4.790 941 H TYR 132 H TYR 132 2.398 4.593 3.356 942 HA TYR 132 HA TYR 132 0.817 3.465 1.172 943 HB2 TYR 132 HB2 TYR 132 2.911 4.135 0.111 944 HB3 TYR 132 HB3 TYR 132 3.833 3.283 1.339 945 HD1 TYR 132 HD1 TYR 132 1.167 2.586 -1.197 946 HD2 TYR 132 HD2 TYR 132 4.658 1.204 0.805 947 HE1 TYR 132 HE1 TYR 132 1.192 0.585 -2.629 948 HE2 TYR 132 HE2 TYR 132 4.689 -0.800 -0.616 949 HH TYR 132 HH TYR 132 3.293 -2.103 -2.004 950 H GLU 133 H GLU 133 -0.255 1.925 2.180 951 HA GLU 133 HA GLU 133 1.149 0.302 4.201 952 HB2 GLU 133 HB2 GLU 133 -1.634 1.445 4.174 953 HB3 GLU 133 HB3 GLU 133 -1.250 0.038 5.150 954 HG2 GLU 133 HG2 GLU 133 -1.177 2.053 6.473 955 HG3 GLU 133 HG3 GLU 133 0.419 1.323 6.366 956 H ILE 134 H ILE 134 1.350 -1.756 3.620 957 HA ILE 134 HA ILE 134 -0.361 -2.792 1.495 958 HB ILE 134 HB ILE 134 1.160 -4.529 1.169 959 HG12 ILE 134 HG12 ILE 134 2.560 -3.946 3.779 960 HG13 ILE 134 HG13 ILE 134 1.256 -5.122 3.647 961 HG21 ILE 134 HG21 ILE 134 2.758 -2.144 2.080 962 HG22 ILE 134 HG22 ILE 134 2.104 -2.429 0.467 963 HG23 ILE 134 HG23 ILE 134 3.387 -3.464 1.094 964 HD11 ILE 134 HD11 ILE 134 3.866 -5.212 2.152 965 HD12 ILE 134 HD12 ILE 134 2.562 -6.395 2.031 966 HD13 ILE 134 HD13 ILE 134 3.432 -6.192 3.553 967 H TYR 135 H TYR 135 -1.587 -4.708 1.690 968 HA TYR 135 HA TYR 135 -2.061 -5.562 4.469 969 HB2 TYR 135 HB2 TYR 135 -3.983 -5.476 2.136 970 HB3 TYR 135 HB3 TYR 135 -4.339 -6.259 3.674 971 HD1 TYR 135 HD2 TYR 135 -4.133 -4.773 5.788 972 HD2 TYR 135 HD1 TYR 135 -4.511 -3.227 1.842 973 HE1 TYR 135 HE2 TYR 135 -4.906 -2.629 6.708 974 HE2 TYR 135 HE1 TYR 135 -5.284 -1.078 2.754 975 HH TYR 135 HH TYR 135 -4.995 -0.264 6.028 976 H LEU 136 H LEU 136 -3.070 -7.876 4.450 977 HA LEU 136 HA LEU 136 -1.483 -9.535 2.603 978 HB2 LEU 136 HB2 LEU 136 -1.643 -9.534 5.501 979 HB3 LEU 136 HB3 LEU 136 -2.079 -11.098 4.840 980 HG LEU 136 HG LEU 136 0.295 -11.010 5.406 981 HD11 LEU 136 HD11 LEU 136 -0.413 -12.413 3.537 982 HD12 LEU 136 HD12 LEU 136 1.207 -11.767 3.275 983 HD13 LEU 136 HD13 LEU 136 -0.171 -11.064 2.427 984 HD21 LEU 136 HD21 LEU 136 0.663 -8.617 5.117 985 HD22 LEU 136 HD22 LEU 136 0.452 -8.786 3.374 986 HD23 LEU 136 HD23 LEU 136 1.824 -9.553 4.175 987 H ASP 137 H ASP 137 -2.490 -11.950 2.902 988 HA ASP 137 HA ASP 137 -5.214 -11.655 1.927 989 HB2 ASP 137 HB2 ASP 137 -3.354 -13.080 0.809 990 HB3 ASP 137 HB3 ASP 137 -3.687 -14.252 2.078 991 H ASN 138 H ASN 138 -6.133 -14.252 2.628 992 HA ASN 138 HA ASN 138 -7.274 -13.569 5.156 993 HB2 ASN 138 HB2 ASN 138 -7.492 -16.104 3.518 994 HB3 ASN 138 HB3 ASN 138 -8.501 -15.700 4.902 995 HD21 ASN 138 HD21 ASN 138 -7.755 -14.974 1.581 996 HD22 ASN 138 HD22 ASN 138 -9.191 -14.059 1.261 997 HA PRO 139 HA PRO 139 -4.543 -15.803 7.877 998 HB2 PRO 139 HB2 PRO 139 -6.879 -16.300 9.585 999 HB3 PRO 139 HB3 PRO 139 -5.424 -15.365 9.932 1000 HG2 PRO 139 HG2 PRO 139 -7.825 -14.197 9.551 1001 HG3 PRO 139 HG3 PRO 139 -6.304 -13.424 9.067 1002 HD2 PRO 139 HD2 PRO 139 -8.322 -14.857 7.386 1003 HD3 PRO 139 HD3 PRO 139 -7.400 -13.380 7.029 1004 H ALA 140 H ALA 140 -4.158 -17.956 8.538 1005 HA ALA 140 HA ALA 140 -4.130 -20.210 8.289 1006 HB1 ALA 140 HB1 ALA 140 -7.131 -19.954 8.137 1007 HB2 ALA 140 HB2 ALA 140 -6.183 -20.086 9.620 1008 HB3 ALA 140 HB3 ALA 140 -6.220 -21.425 8.475 1009 H GLU 141 H GLU 141 -4.939 -18.224 5.826 1010 HA GLU 141 HA GLU 141 -5.414 -20.342 3.872 1011 HB2 GLU 141 HB2 GLU 141 -6.189 -17.613 4.086 1012 HB3 GLU 141 HB3 GLU 141 -5.170 -17.761 2.663 1013 HG2 GLU 141 HG2 GLU 141 -7.555 -19.504 3.204 1014 HG3 GLU 141 HG3 GLU 141 -7.614 -18.024 2.251 1015 H THR 142 H THR 142 -3.057 -17.876 4.756 1016 HA THR 142 HA THR 142 -1.083 -19.301 3.165 1017 HB THR 142 HB THR 142 -1.883 -17.540 1.678 1018 HG1 THR 142 HG1 THR 142 0.180 -17.749 1.184 1019 HG21 THR 142 HG21 THR 142 -2.666 -15.904 3.289 1020 HG22 THR 142 HG22 THR 142 -1.473 -15.163 2.222 1021 HG23 THR 142 HG23 THR 142 -1.017 -15.637 3.857 1022 H ALA 143 H ALA 143 -1.701 -16.823 5.627 1023 HA ALA 143 HA ALA 143 0.803 -17.557 6.918 1024 HB1 ALA 143 HB1 ALA 143 1.593 -15.262 7.088 1025 HB2 ALA 143 HB2 ALA 143 0.218 -14.708 6.131 1026 HB3 ALA 143 HB3 ALA 143 1.437 -15.755 5.402 1027 HA PRO 144 HA PRO 144 -2.371 -16.706 10.138 1028 HB2 PRO 144 HB2 PRO 144 -1.749 -18.844 11.664 1029 HB3 PRO 144 HB3 PRO 144 -2.870 -18.948 10.301 1030 HG2 PRO 144 HG2 PRO 144 0.009 -19.729 10.452 1031 HG3 PRO 144 HG3 PRO 144 -1.343 -20.564 9.673 1032 HD2 PRO 144 HD2 PRO 144 0.460 -19.034 8.314 1033 HD3 PRO 144 HD3 PRO 144 -1.216 -19.276 7.785 1034 H ASP 145 H ASP 145 -1.847 -15.360 11.682 1035 HA ASP 145 HA ASP 145 -0.763 -14.226 13.329 1036 HB2 ASP 145 HB2 ASP 145 -0.297 -16.387 14.382 1037 HB3 ASP 145 HB3 ASP 145 1.122 -16.598 13.362 1038 H GLN 146 H GLN 146 0.705 -15.103 10.431 1039 HA GLN 146 HA GLN 146 3.037 -13.384 10.843 1040 HB2 GLN 146 HB2 GLN 146 2.399 -15.268 8.561 1041 HB3 GLN 146 HB3 GLN 146 3.900 -14.375 8.770 1042 HG2 GLN 146 HG2 GLN 146 4.336 -15.595 10.845 1043 HG3 GLN 146 HG3 GLN 146 2.840 -16.499 10.624 1044 HE21 GLN 146 HE21 GLN 146 6.107 -16.070 9.606 1045 HE22 GLN 146 HE22 GLN 146 6.206 -17.476 8.608 1046 H LEU 147 H LEU 147 0.076 -12.798 10.231 1047 HA LEU 147 HA LEU 147 0.025 -11.361 7.789 1048 HB2 LEU 147 HB2 LEU 147 -1.636 -11.053 10.296 1049 HB3 LEU 147 HB3 LEU 147 -1.998 -10.295 8.758 1050 HG LEU 147 HG LEU 147 -1.938 -13.274 9.246 1051 HD11 LEU 147 HD11 LEU 147 -3.783 -12.192 10.423 1052 HD12 LEU 147 HD12 LEU 147 -4.370 -13.148 9.062 1053 HD13 LEU 147 HD13 LEU 147 -4.274 -11.391 8.929 1054 HD21 LEU 147 HD21 LEU 147 -1.374 -12.642 6.946 1055 HD22 LEU 147 HD22 LEU 147 -2.856 -11.691 6.849 1056 HD23 LEU 147 HD23 LEU 147 -2.943 -13.442 7.039 1057 H ARG 148 H ARG 148 1.495 -9.799 7.467 1058 HA ARG 148 HA ARG 148 2.026 -7.927 9.676 1059 HB2 ARG 148 HB2 ARG 148 3.890 -8.840 7.478 1060 HB3 ARG 148 HB3 ARG 148 4.270 -7.603 8.671 1061 HG2 ARG 148 HG2 ARG 148 4.151 -9.202 10.452 1062 HG3 ARG 148 HG3 ARG 148 3.578 -10.454 9.349 1063 HD2 ARG 148 HD2 ARG 148 5.701 -10.341 8.133 1064 HD3 ARG 148 HD3 ARG 148 6.269 -9.097 9.246 1065 HE ARG 148 HE ARG 148 5.792 -10.976 10.991 1066 HH11 ARG 148 HH11 ARG 148 7.123 -11.392 7.777 1067 HH12 ARG 148 HH12 ARG 148 8.061 -12.786 8.217 1068 HH21 ARG 148 HH21 ARG 148 7.007 -12.799 11.563 1069 HH22 ARG 148 HH22 ARG 148 7.998 -13.591 10.367 1070 H THR 149 H THR 149 1.570 -5.886 9.350 1071 HA THR 149 HA THR 149 0.791 -5.037 6.650 1072 HB THR 149 HB THR 149 0.265 -3.666 9.300 1073 HG1 THR 149 HG1 THR 149 -0.767 -5.827 8.791 1074 HG21 THR 149 HG21 THR 149 0.207 -2.143 7.391 1075 HG22 THR 149 HG22 THR 149 -1.416 -2.396 8.037 1076 HG23 THR 149 HG23 THR 149 -0.915 -3.214 6.555 1077 H ARG 150 H ARG 150 2.542 -4.263 5.609 1078 HA ARG 150 HA ARG 150 4.609 -2.790 6.942 1079 HB2 ARG 150 HB2 ARG 150 4.013 -3.225 4.015 1080 HB3 ARG 150 HB3 ARG 150 5.374 -2.273 4.589 1081 HG2 ARG 150 HG2 ARG 150 6.257 -4.248 5.742 1082 HG3 ARG 150 HG3 ARG 150 4.901 -5.198 5.124 1083 HD2 ARG 150 HD2 ARG 150 5.598 -4.789 2.851 1084 HD3 ARG 150 HD3 ARG 150 6.883 -3.718 3.403 1085 HE ARG 150 HE ARG 150 7.105 -6.352 4.497 1086 HH11 ARG 150 HH11 ARG 150 7.736 -4.412 1.662 1087 HH12 ARG 150 HH12 ARG 150 9.108 -5.361 1.157 1088 HH21 ARG 150 HH21 ARG 150 8.882 -7.617 3.824 1089 HH22 ARG 150 HH22 ARG 150 9.747 -7.183 2.381 1090 H VAL 151 H VAL 151 4.262 -0.854 7.701 1091 HA VAL 151 HA VAL 151 2.455 0.969 6.292 1092 HB VAL 151 HB VAL 151 1.975 0.721 8.660 1093 HG11 VAL 151 HG11 VAL 151 4.809 1.617 9.143 1094 HG12 VAL 151 HG12 VAL 151 4.165 0.001 9.432 1095 HG13 VAL 151 HG13 VAL 151 3.583 1.366 10.386 1096 HG21 VAL 151 HG21 VAL 151 1.626 2.934 7.700 1097 HG22 VAL 151 HG22 VAL 151 3.282 3.383 8.113 1098 HG23 VAL 151 HG23 VAL 151 2.113 3.050 9.392 1099 H SER 152 H SER 152 3.199 2.725 5.254 1100 HA SER 152 HA SER 152 6.003 3.512 5.702 1101 HB2 SER 152 HB2 SER 152 4.665 3.545 2.986 1102 HB3 SER 152 HB3 SER 152 6.374 3.795 3.354 1103 HG SER 152 HG SER 152 4.868 1.399 3.527 1104 H LEU 153 H LEU 153 6.088 5.588 6.315 1105 HA LEU 153 HA LEU 153 3.713 7.228 5.733 1106 HB2 LEU 153 HB2 LEU 153 3.687 6.292 8.019 1107 HB3 LEU 153 HB3 LEU 153 5.216 7.078 8.339 1108 HG LEU 153 HG LEU 153 4.096 9.282 7.969 1109 HD11 LEU 153 HD11 LEU 153 2.237 8.550 6.600 1110 HD12 LEU 153 HD12 LEU 153 1.645 9.347 8.058 1111 HD13 LEU 153 HD13 LEU 153 1.604 7.588 7.934 1112 HD21 LEU 153 HD21 LEU 153 2.948 7.532 10.137 1113 HD22 LEU 153 HD22 LEU 153 2.954 9.295 10.129 1114 HD23 LEU 153 HD23 LEU 153 4.476 8.408 10.207 1115 H MET 154 H MET 154 3.983 9.471 5.786 1116 HA MET 154 HA MET 154 6.298 10.535 4.628 1117 HB2 MET 154 HB2 MET 154 4.025 11.852 6.125 1118 HB3 MET 154 HB3 MET 154 5.261 12.740 5.243 1119 HG2 MET 154 HG2 MET 154 4.510 11.987 3.180 1120 HG3 MET 154 HG3 MET 154 3.625 10.638 3.887 1121 HE1 MET 154 HE1 MET 154 3.548 14.255 5.373 1122 HE2 MET 154 HE2 MET 154 2.230 15.003 4.470 1123 HE3 MET 154 HE3 MET 154 3.740 14.598 3.652 1124 H LEU 155 H LEU 155 8.047 11.581 5.466 1125 HA LEU 155 HA LEU 155 8.636 11.102 8.247 1126 HB2 LEU 155 HB2 LEU 155 10.235 12.384 6.035 1127 HB3 LEU 155 HB3 LEU 155 10.837 12.142 7.665 1128 HG LEU 155 HG LEU 155 9.963 9.935 5.799 1129 HD11 LEU 155 HD11 LEU 155 12.717 10.834 6.621 1130 HD12 LEU 155 HD12 LEU 155 12.003 10.980 5.014 1131 HD13 LEU 155 HD13 LEU 155 12.347 9.384 5.685 1132 HD21 LEU 155 HD21 LEU 155 10.978 8.456 7.467 1133 HD22 LEU 155 HD22 LEU 155 9.621 9.365 8.133 1134 HD23 LEU 155 HD23 LEU 155 11.275 9.846 8.513 1135 H HIS 156 H HIS 156 6.947 13.453 6.711 1136 HA HIS 156 HA HIS 156 7.913 15.695 8.271 1137 HB2 HIS 156 HB2 HIS 156 6.953 15.951 5.951 1138 HB3 HIS 156 HB3 HIS 156 5.383 15.521 6.617 1139 HD1 HIS 156 HD1 HIS 156 7.894 18.300 6.506 1140 HD2 HIS 156 HD2 HIS 156 4.120 17.534 8.098 1141 HE1 HIS 156 HE1 HIS 156 7.004 20.532 7.271 1142 HE2 HIS 156 HE2 HIS 156 4.663 20.064 8.082 1143 H GLU 157 H GLU 157 7.661 14.387 10.239 1144 HA GLU 157 HA GLU 157 6.710 14.063 12.264 1145 HB2 GLU 157 HB2 GLU 157 5.680 16.284 12.022 1146 HB3 GLU 157 HB3 GLU 157 4.326 15.568 11.161 1147 HG2 GLU 157 HG2 GLU 157 3.748 14.280 13.163 1148 HG3 GLU 157 HG3 GLU 157 5.094 15.027 14.022 1149 H SER 158 H SER 158 5.368 12.539 13.285 1150 HA SER 158 HA SER 158 4.433 10.468 11.530 1151 HB2 SER 158 HB2 SER 158 5.639 9.882 13.582 1152 HB3 SER 158 HB3 SER 158 4.387 10.655 14.554 1153 HG SER 158 HG SER 158 3.832 8.534 12.759 1154 H LEU 159 H LEU 159 2.658 11.358 10.470 1155 HA LEU 159 HA LEU 159 0.372 12.216 12.010 1156 HB2 LEU 159 HB2 LEU 159 0.995 12.033 9.087 1157 HB3 LEU 159 HB3 LEU 159 -0.674 12.144 9.604 1158 HG LEU 159 HG LEU 159 -0.102 14.273 10.790 1159 HD11 LEU 159 HD11 LEU 159 1.953 15.426 10.188 1160 HD12 LEU 159 HD12 LEU 159 2.495 14.008 9.288 1161 HD13 LEU 159 HD13 LEU 159 2.295 13.920 11.039 1162 HD21 LEU 159 HD21 LEU 159 0.400 14.179 7.818 1163 HD22 LEU 159 HD22 LEU 159 -0.025 15.619 8.744 1164 HD23 LEU 159 HD23 LEU 159 -1.171 14.285 8.611 1165 H GLU 160 H GLU 160 -1.737 11.251 10.840 1166 HA GLU 160 HA GLU 160 -3.239 9.602 11.079 1167 HB2 GLU 160 HB2 GLU 160 -1.073 8.272 9.497 1168 HB3 GLU 160 HB3 GLU 160 -2.559 7.420 9.909 1169 HG2 GLU 160 HG2 GLU 160 -2.308 9.964 8.319 1170 HG3 GLU 160 HG3 GLU 160 -2.792 8.374 7.726 1171 H HIS 161 H HIS 161 -3.167 9.595 13.298 1172 HA HIS 161 HA HIS 161 -2.205 7.029 14.382 1173 HB2 HIS 161 HB2 HIS 161 -2.437 9.733 15.697 1174 HB3 HIS 161 HB3 HIS 161 -2.473 8.258 16.655 1175 HD1 HIS 161 HD1 HIS 161 -0.271 7.768 17.620 1176 HD2 HIS 161 HD2 HIS 161 0.060 9.568 13.879 1177 HE1 HIS 161 HE1 HIS 161 2.203 7.956 17.167 1178 HE2 HIS 161 HE2 HIS 161 2.374 8.922 14.840 1179 H HIS 162 H HIS 162 -4.380 7.042 12.923 1180 HA HIS 162 HA HIS 162 -6.792 7.921 14.027 1181 HB2 HIS 162 HB2 HIS 162 -6.295 7.270 11.626 1182 HB3 HIS 162 HB3 HIS 162 -6.473 5.595 12.131 1183 HD1 HIS 162 HD1 HIS 162 -8.583 8.741 12.574 1184 HD2 HIS 162 HD2 HIS 162 -8.952 4.736 11.514 1185 HE1 HIS 162 HE1 HIS 162 -11.018 8.405 12.040 1186 HE2 HIS 162 HE2 HIS 162 -11.162 6.045 11.173 1187 H HIS 163 H HIS 163 -7.384 7.325 16.003 1188 HA HIS 163 HA HIS 163 -7.258 4.523 16.820 1189 HB2 HIS 163 HB2 HIS 163 -8.113 7.022 18.299 1190 HB3 HIS 163 HB3 HIS 163 -8.170 5.406 18.991 1191 HD1 HIS 163 HD1 HIS 163 -6.019 8.295 18.629 1192 HD2 HIS 163 HD2 HIS 163 -5.474 4.205 19.187 1193 HE1 HIS 163 HE1 HIS 163 -3.678 8.032 19.506 1194 HE2 HIS 163 HE2 HIS 163 -3.325 5.547 19.747 1195 H HIS 164 H HIS 164 -9.377 3.942 18.202 1196 HA HIS 164 HA HIS 164 -11.774 4.924 16.832 1197 HB2 HIS 164 HB2 HIS 164 -12.679 2.720 16.484 1198 HB3 HIS 164 HB3 HIS 164 -11.089 2.774 15.736 1199 HD1 HIS 164 HD1 HIS 164 -13.001 1.172 18.509 1200 HD2 HIS 164 HD2 HIS 164 -9.167 1.094 16.909 1201 HE1 HIS 164 HE1 HIS 164 -11.881 -0.821 19.544 1202 HE2 HIS 164 HE2 HIS 164 -9.676 -1.002 18.339 1203 H HIS 165 H HIS 165 -13.724 4.608 18.053 1204 HA HIS 165 HA HIS 165 -13.217 4.394 20.930 1205 HB2 HIS 165 HB2 HIS 165 -15.263 5.497 21.288 1206 HB3 HIS 165 HB3 HIS 165 -14.614 6.279 19.855 1207 HD1 HIS 165 HD1 HIS 165 -17.645 4.972 21.137 1208 HD2 HIS 165 HD2 HIS 165 -15.850 4.978 17.385 1209 HE1 HIS 165 HE1 HIS 165 -19.493 4.486 19.496 1210 HE2 HIS 165 HE2 HIS 165 -18.399 4.540 17.227 1211 H HIS 166 H HIS 166 -14.794 3.106 22.247 1212 HA HIS 166 HA HIS 166 -15.392 0.600 20.843 1213 HB2 HIS 166 HB2 HIS 166 -13.983 0.525 22.911 1214 HB3 HIS 166 HB3 HIS 166 -15.366 1.121 23.823 1215 HD1 HIS 166 HD1 HIS 166 -14.016 -1.929 22.155 1216 HD2 HIS 166 HD2 HIS 166 -17.409 -0.757 24.255 1217 HE1 HIS 166 HE1 HIS 166 -15.260 -4.057 22.681 1218 HE2 HIS 166 HE2 HIS 166 -17.392 -3.302 23.808 Start of MODEL 7 1 H1 MET 1 H1 MET 1 0.401 -2.279 23.059 2 H2 MET 1 H2 MET 1 -0.718 -1.031 23.321 3 H3 MET 1 H3 MET 1 -1.165 -2.637 23.608 4 HA MET 1 HA MET 1 0.931 -1.162 25.078 5 HB2 MET 1 HB2 MET 1 -1.920 -1.811 25.839 6 HB3 MET 1 HB3 MET 1 -0.706 -1.233 26.971 7 HG2 MET 1 HG2 MET 1 -2.077 0.605 26.309 8 HG3 MET 1 HG3 MET 1 -0.473 0.818 25.616 9 HE1 MET 1 HE1 MET 1 -1.324 2.637 23.908 10 HE2 MET 1 HE2 MET 1 -2.938 2.519 24.612 11 HE3 MET 1 HE3 MET 1 -2.729 2.423 22.862 12 H ASP 2 H ASP 2 0.301 -4.076 23.853 13 HA ASP 2 HA ASP 2 0.877 -5.546 26.334 14 HB2 ASP 2 HB2 ASP 2 -0.989 -6.369 24.889 15 HB3 ASP 2 HB3 ASP 2 0.181 -6.667 23.610 16 H PHE 3 H PHE 3 1.949 -5.256 22.974 17 HA PHE 3 HA PHE 3 4.400 -6.681 23.487 18 HB2 PHE 3 HB2 PHE 3 3.470 -5.101 21.081 19 HB3 PHE 3 HB3 PHE 3 4.950 -6.045 21.145 20 HD1 PHE 3 HD2 PHE 3 4.738 -8.550 21.599 21 HD2 PHE 3 HD1 PHE 3 1.462 -6.087 20.453 22 HE1 PHE 3 HE2 PHE 3 3.497 -10.544 20.862 23 HE2 PHE 3 HE1 PHE 3 0.217 -8.076 19.719 24 HZ PHE 3 HZ PHE 3 1.236 -10.308 19.923 25 H GLU 4 H GLU 4 6.520 -5.743 23.113 26 HA GLU 4 HA GLU 4 6.956 -3.398 24.602 27 HB2 GLU 4 HB2 GLU 4 8.814 -4.780 22.659 28 HB3 GLU 4 HB3 GLU 4 9.296 -3.569 23.840 29 HG2 GLU 4 HG2 GLU 4 8.434 -5.111 25.622 30 HG3 GLU 4 HG3 GLU 4 8.242 -6.333 24.366 31 H CYS 5 H CYS 5 7.404 -1.330 24.041 32 HA CYS 5 HA CYS 5 6.301 -0.500 21.488 33 HB2 CYS 5 HB2 CYS 5 7.244 1.171 23.827 34 HB3 CYS 5 HB3 CYS 5 6.279 1.730 22.461 35 HG CYS 5 HG CYS 5 4.679 -0.780 23.752 36 H GLN 6 H GLN 6 7.477 1.704 20.746 37 HA GLN 6 HA GLN 6 9.138 2.480 19.434 38 HB2 GLN 6 HB2 GLN 6 10.811 1.394 21.699 39 HB3 GLN 6 HB3 GLN 6 11.444 2.384 20.397 40 HG2 GLN 6 HG2 GLN 6 9.976 4.213 21.057 41 HG3 GLN 6 HG3 GLN 6 9.326 3.218 22.359 42 HE21 GLN 6 HE21 GLN 6 11.901 2.018 22.992 43 HE22 GLN 6 HE22 GLN 6 12.814 3.247 23.809 44 H PHE 7 H PHE 7 8.389 0.658 18.000 45 HA PHE 7 HA PHE 7 10.233 -1.540 17.708 46 HB2 PHE 7 HB2 PHE 7 7.728 -1.593 17.162 47 HB3 PHE 7 HB3 PHE 7 8.142 -0.696 15.704 48 HD1 PHE 7 HD1 PHE 7 8.379 -3.898 17.437 49 HD2 PHE 7 HD2 PHE 7 9.369 -1.749 13.900 50 HE1 PHE 7 HE1 PHE 7 8.924 -6.016 16.311 51 HE2 PHE 7 HE2 PHE 7 9.917 -3.863 12.765 52 HZ PHE 7 HZ PHE 7 9.694 -6.001 13.969 53 H VAL 8 H VAL 8 11.909 -1.676 16.333 54 HA VAL 8 HA VAL 8 13.219 0.605 15.475 55 HB VAL 8 HB VAL 8 14.389 -1.489 15.840 56 HG11 VAL 8 HG11 VAL 8 14.293 -3.324 14.232 57 HG12 VAL 8 HG12 VAL 8 13.037 -2.472 13.334 58 HG13 VAL 8 HG13 VAL 8 12.719 -3.033 14.975 59 HG21 VAL 8 HG21 VAL 8 15.481 0.153 14.424 60 HG22 VAL 8 HG22 VAL 8 14.680 -0.512 13.001 61 HG23 VAL 8 HG23 VAL 8 15.866 -1.479 13.877 62 H CYS 9 H CYS 9 13.142 1.879 13.772 63 HA CYS 9 HA CYS 9 11.688 0.997 11.374 64 HB2 CYS 9 HB2 CYS 9 10.983 3.422 11.151 65 HB3 CYS 9 HB3 CYS 9 10.237 2.533 12.474 66 HG CYS 9 HG CYS 9 12.554 5.014 12.627 67 H GLU 10 H GLU 10 12.326 2.138 9.394 68 HA GLU 10 HA GLU 10 14.883 3.513 9.444 69 HB2 GLU 10 HB2 GLU 10 15.911 1.967 7.818 70 HB3 GLU 10 HB3 GLU 10 15.569 1.175 9.351 71 HG2 GLU 10 HG2 GLU 10 13.676 0.053 8.438 72 HG3 GLU 10 HG3 GLU 10 13.759 1.002 6.956 73 H LEU 11 H LEU 11 15.480 4.305 7.252 74 HA LEU 11 HA LEU 11 13.105 5.011 5.704 75 HB2 LEU 11 HB2 LEU 11 14.830 6.713 6.350 76 HB3 LEU 11 HB3 LEU 11 15.973 5.881 5.317 77 HG LEU 11 HG LEU 11 14.452 6.342 3.381 78 HD11 LEU 11 HD11 LEU 11 12.746 8.072 3.647 79 HD12 LEU 11 HD12 LEU 11 13.043 8.101 5.385 80 HD13 LEU 11 HD13 LEU 11 12.379 6.653 4.630 81 HD21 LEU 11 HD21 LEU 11 15.094 8.695 3.189 82 HD22 LEU 11 HD22 LEU 11 16.416 7.713 3.821 83 HD23 LEU 11 HD23 LEU 11 15.475 8.732 4.910 84 H LYS 12 H LYS 12 12.531 3.739 4.057 85 HA LYS 12 HA LYS 12 14.627 2.046 2.859 86 HB2 LYS 12 HB2 LYS 12 11.692 1.381 3.120 87 HB3 LYS 12 HB3 LYS 12 12.957 0.326 2.502 88 HG2 LYS 12 HG2 LYS 12 14.035 0.473 4.766 89 HG3 LYS 12 HG3 LYS 12 12.569 1.282 5.322 90 HD2 LYS 12 HD2 LYS 12 12.356 -1.026 5.867 91 HD3 LYS 12 HD3 LYS 12 11.275 -0.707 4.509 92 HE2 LYS 12 HE2 LYS 12 12.506 -2.808 4.214 93 HE3 LYS 12 HE3 LYS 12 12.913 -1.633 2.963 94 HZ1 LYS 12 HZ1 LYS 12 14.952 -1.128 4.081 95 HZ2 LYS 12 HZ2 LYS 12 14.859 -2.807 3.877 96 HZ3 LYS 12 HZ3 LYS 12 14.547 -2.120 5.398 97 H GLU 13 H GLU 13 14.696 1.797 0.678 98 HA GLU 13 HA GLU 13 13.249 3.734 -0.908 99 HB2 GLU 13 HB2 GLU 13 15.226 1.625 -1.806 100 HB3 GLU 13 HB3 GLU 13 14.646 2.983 -2.758 101 HG2 GLU 13 HG2 GLU 13 16.716 3.715 -2.080 102 HG3 GLU 13 HG3 GLU 13 15.657 4.430 -0.866 103 H LEU 14 H LEU 14 11.409 3.325 -1.923 104 HA LEU 14 HA LEU 14 10.381 0.600 -1.890 105 HB2 LEU 14 HB2 LEU 14 9.042 3.211 -2.584 106 HB3 LEU 14 HB3 LEU 14 8.238 1.655 -2.518 107 HG LEU 14 HG LEU 14 9.551 3.026 -0.170 108 HD11 LEU 14 HD11 LEU 14 7.552 4.202 -0.887 109 HD12 LEU 14 HD12 LEU 14 7.261 3.355 0.634 110 HD13 LEU 14 HD13 LEU 14 6.640 2.690 -0.880 111 HD21 LEU 14 HD21 LEU 14 7.887 0.513 -0.322 112 HD22 LEU 14 HD22 LEU 14 8.459 1.280 1.158 113 HD23 LEU 14 HD23 LEU 14 9.615 0.598 0.015 114 H ALA 15 H ALA 15 9.433 -0.391 -3.699 115 HA ALA 15 HA ALA 15 10.716 0.342 -6.233 116 HB1 ALA 15 HB1 ALA 15 9.449 -2.265 -5.378 117 HB2 ALA 15 HB2 ALA 15 11.177 -1.908 -5.399 118 HB3 ALA 15 HB3 ALA 15 10.271 -1.966 -6.910 119 HA PRO 16 HA PRO 16 6.706 1.221 -7.973 120 HB2 PRO 16 HB2 PRO 16 7.288 1.118 -10.591 121 HB3 PRO 16 HB3 PRO 16 7.899 2.411 -9.554 122 HG2 PRO 16 HG2 PRO 16 9.301 -0.007 -10.595 123 HG3 PRO 16 HG3 PRO 16 9.919 1.637 -10.366 124 HD2 PRO 16 HD2 PRO 16 10.340 -0.487 -8.630 125 HD3 PRO 16 HD3 PRO 16 10.503 1.227 -8.205 126 H VAL 17 H VAL 17 5.380 -0.451 -7.456 127 HA VAL 17 HA VAL 17 5.660 -3.025 -8.785 128 HB VAL 17 HB VAL 17 3.581 -2.082 -6.790 129 HG11 VAL 17 HG11 VAL 17 3.180 -4.460 -6.391 130 HG12 VAL 17 HG12 VAL 17 4.335 -4.865 -7.660 131 HG13 VAL 17 HG13 VAL 17 2.844 -4.016 -8.065 132 HG21 VAL 17 HG21 VAL 17 4.904 -3.284 -5.109 133 HG22 VAL 17 HG22 VAL 17 5.806 -1.948 -5.824 134 HG23 VAL 17 HG23 VAL 17 6.141 -3.606 -6.322 135 HA PRO 18 HA PRO 18 2.534 -1.939 -11.808 136 HB2 PRO 18 HB2 PRO 18 2.267 -4.744 -12.472 137 HB3 PRO 18 HB3 PRO 18 3.033 -3.461 -13.409 138 HG2 PRO 18 HG2 PRO 18 4.402 -5.526 -12.249 139 HG3 PRO 18 HG3 PRO 18 5.113 -3.939 -12.597 140 HD2 PRO 18 HD2 PRO 18 4.094 -5.035 -10.004 141 HD3 PRO 18 HD3 PRO 18 5.518 -4.020 -10.321 142 H ALA 19 H ALA 19 0.721 -1.366 -10.698 143 HA ALA 19 HA ALA 19 -1.111 -3.536 -9.964 144 HB1 ALA 19 HB1 ALA 19 -0.396 -1.267 -8.103 145 HB2 ALA 19 HB2 ALA 19 0.083 -2.952 -7.906 146 HB3 ALA 19 HB3 ALA 19 -1.619 -2.503 -7.811 147 H LEU 20 H LEU 20 -3.323 -2.887 -9.863 148 HA LEU 20 HA LEU 20 -3.822 -0.278 -11.127 149 HB2 LEU 20 HB2 LEU 20 -5.879 -1.170 -12.035 150 HB3 LEU 20 HB3 LEU 20 -4.524 -2.163 -12.527 151 HG LEU 20 HG LEU 20 -5.285 -3.617 -10.441 152 HD11 LEU 20 HD11 LEU 20 -7.052 -2.104 -9.733 153 HD12 LEU 20 HD12 LEU 20 -7.726 -3.648 -10.256 154 HD13 LEU 20 HD13 LEU 20 -7.819 -2.240 -11.314 155 HD21 LEU 20 HD21 LEU 20 -6.665 -3.622 -13.120 156 HD22 LEU 20 HD22 LEU 20 -6.605 -4.972 -11.987 157 HD23 LEU 20 HD23 LEU 20 -5.122 -4.390 -12.744 158 H LEU 21 H LEU 21 -5.309 1.093 -10.212 159 HA LEU 21 HA LEU 21 -6.660 0.235 -7.805 160 HB2 LEU 21 HB2 LEU 21 -5.701 1.986 -6.381 161 HB3 LEU 21 HB3 LEU 21 -4.533 0.783 -6.861 162 HG LEU 21 HG LEU 21 -3.498 2.955 -6.788 163 HD11 LEU 21 HD11 LEU 21 -2.575 3.149 -9.038 164 HD12 LEU 21 HD12 LEU 21 -3.835 2.073 -9.642 165 HD13 LEU 21 HD13 LEU 21 -2.645 1.474 -8.488 166 HD21 LEU 21 HD21 LEU 21 -5.446 4.363 -7.117 167 HD22 LEU 21 HD22 LEU 21 -5.531 3.872 -8.809 168 HD23 LEU 21 HD23 LEU 21 -4.150 4.802 -8.228 169 H ILE 22 H ILE 22 -8.093 1.789 -6.929 170 HA ILE 22 HA ILE 22 -8.709 4.069 -8.665 171 HB ILE 22 HB ILE 22 -10.469 2.499 -9.098 172 HG12 ILE 22 HG12 ILE 22 -11.432 4.509 -7.054 173 HG13 ILE 22 HG13 ILE 22 -11.195 4.819 -8.770 174 HG21 ILE 22 HG21 ILE 22 -10.774 2.198 -6.116 175 HG22 ILE 22 HG22 ILE 22 -10.140 0.990 -7.232 176 HG23 ILE 22 HG23 ILE 22 -11.831 1.479 -7.331 177 HD11 ILE 22 HD11 ILE 22 -12.968 3.256 -9.317 178 HD12 ILE 22 HD12 ILE 22 -13.549 4.494 -8.200 179 HD13 ILE 22 HD13 ILE 22 -13.177 2.873 -7.608 180 H ARG 23 H ARG 23 -8.328 5.878 -7.533 181 HA ARG 23 HA ARG 23 -8.081 5.673 -4.675 182 HB2 ARG 23 HB2 ARG 23 -7.596 8.209 -4.909 183 HB3 ARG 23 HB3 ARG 23 -6.412 7.032 -5.446 184 HG2 ARG 23 HG2 ARG 23 -7.242 7.336 -7.760 185 HG3 ARG 23 HG3 ARG 23 -8.294 8.625 -7.159 186 HD2 ARG 23 HD2 ARG 23 -6.480 9.967 -6.534 187 HD3 ARG 23 HD3 ARG 23 -5.346 8.622 -6.619 188 HE ARG 23 HE ARG 23 -6.479 10.075 -8.905 189 HH11 ARG 23 HH11 ARG 23 -4.193 7.778 -7.565 190 HH12 ARG 23 HH12 ARG 23 -3.173 7.781 -8.982 191 HH21 ARG 23 HH21 ARG 23 -5.164 10.075 -10.758 192 HH22 ARG 23 HH22 ARG 23 -3.722 9.106 -10.797 193 H THR 24 H THR 24 -9.580 5.922 -3.336 194 HA THR 24 HA THR 24 -12.019 7.365 -4.116 195 HB THR 24 HB THR 24 -11.699 5.168 -2.077 196 HG1 THR 24 HG1 THR 24 -11.350 4.416 -4.227 197 HG21 THR 24 HG21 THR 24 -13.589 6.636 -1.648 198 HG22 THR 24 HG22 THR 24 -14.141 5.048 -2.182 199 HG23 THR 24 HG23 THR 24 -14.155 6.411 -3.302 200 H GLN 25 H GLN 25 -11.736 9.375 -3.259 201 HA GLN 25 HA GLN 25 -10.726 9.584 -0.543 202 HB2 GLN 25 HB2 GLN 25 -10.754 12.018 -0.880 203 HB3 GLN 25 HB3 GLN 25 -9.795 11.183 -2.086 204 HG2 GLN 25 HG2 GLN 25 -12.579 12.251 -2.502 205 HG3 GLN 25 HG3 GLN 25 -11.092 13.044 -3.008 206 HE21 GLN 25 HE21 GLN 25 -9.798 11.981 -4.629 207 HE22 GLN 25 HE22 GLN 25 -10.573 10.969 -5.808 208 H THR 26 H THR 26 -12.008 9.358 1.039 209 HA THR 26 HA THR 26 -14.861 9.970 0.661 210 HB THR 26 HB THR 26 -15.246 8.179 2.393 211 HG1 THR 26 HG1 THR 26 -12.587 7.378 1.779 212 HG21 THR 26 HG21 THR 26 -14.944 6.306 0.837 213 HG22 THR 26 HG22 THR 26 -13.922 7.328 -0.177 214 HG23 THR 26 HG23 THR 26 -15.628 7.723 0.040 215 H ALA 27 H ALA 27 -15.933 11.030 2.270 216 HA ALA 27 HA ALA 27 -14.315 11.953 4.552 217 HB1 ALA 27 HB1 ALA 27 -15.645 14.004 4.550 218 HB2 ALA 27 HB2 ALA 27 -16.550 13.424 3.150 219 HB3 ALA 27 HB3 ALA 27 -14.828 13.777 3.003 220 H MET 28 H MET 28 -15.596 12.424 6.517 221 HA MET 28 HA MET 28 -17.162 11.964 8.113 222 HB2 MET 28 HB2 MET 28 -18.745 12.769 6.356 223 HB3 MET 28 HB3 MET 28 -18.913 11.114 5.794 224 HG2 MET 28 HG2 MET 28 -19.754 10.537 8.092 225 HG3 MET 28 HG3 MET 28 -19.801 12.271 8.419 226 HE1 MET 28 HE1 MET 28 -22.311 10.185 5.153 227 HE2 MET 28 HE2 MET 28 -21.196 9.342 6.232 228 HE3 MET 28 HE3 MET 28 -20.574 10.446 5.006 229 H SER 29 H SER 29 -15.349 9.870 6.781 230 HA SER 29 HA SER 29 -14.866 7.658 6.899 231 HB2 SER 29 HB2 SER 29 -16.926 7.593 9.123 232 HB3 SER 29 HB3 SER 29 -15.673 6.388 8.822 233 HG SER 29 HG SER 29 -15.233 9.118 9.483 234 H GLU 30 H GLU 30 -15.965 7.725 4.774 235 HA GLU 30 HA GLU 30 -18.549 6.320 4.736 236 HB2 GLU 30 HB2 GLU 30 -18.330 8.610 3.692 237 HB3 GLU 30 HB3 GLU 30 -17.239 7.897 2.514 238 HG2 GLU 30 HG2 GLU 30 -19.003 6.480 1.681 239 HG3 GLU 30 HG3 GLU 30 -20.100 7.067 2.933 240 H LEU 31 H LEU 31 -15.763 5.234 5.005 241 HA LEU 31 HA LEU 31 -14.945 4.113 2.536 242 HB2 LEU 31 HB2 LEU 31 -13.436 4.563 4.448 243 HB3 LEU 31 HB3 LEU 31 -14.223 3.291 5.354 244 HG LEU 31 HG LEU 31 -12.938 2.618 2.732 245 HD11 LEU 31 HD11 LEU 31 -11.256 3.934 3.907 246 HD12 LEU 31 HD12 LEU 31 -10.816 2.226 3.900 247 HD13 LEU 31 HD13 LEU 31 -11.488 2.959 5.357 248 HD21 LEU 31 HD21 LEU 31 -13.215 1.127 5.344 249 HD22 LEU 31 HD22 LEU 31 -12.557 0.482 3.840 250 HD23 LEU 31 HD23 LEU 31 -14.260 0.929 3.937 251 H GLY 32 H GLY 32 -16.713 2.780 5.316 252 HA2 GLY 32 HA2 GLY 32 -16.559 0.093 4.744 253 HA3 GLY 32 HA3 GLY 32 -17.905 0.840 5.582 254 H SER 33 H SER 33 -19.516 1.942 4.013 255 HA SER 33 HA SER 33 -20.628 -0.192 2.541 256 HB2 SER 33 HB2 SER 33 -21.902 1.637 3.733 257 HB3 SER 33 HB3 SER 33 -21.476 2.707 2.399 258 HG SER 33 HG SER 33 -22.889 0.249 2.161 259 H LEU 34 H LEU 34 -18.760 2.615 1.584 260 HA LEU 34 HA LEU 34 -19.424 2.434 -1.188 261 HB2 LEU 34 HB2 LEU 34 -18.675 4.500 0.054 262 HB3 LEU 34 HB3 LEU 34 -17.058 3.830 0.061 263 HG LEU 34 HG LEU 34 -18.503 4.241 -2.537 264 HD11 LEU 34 HD11 LEU 34 -17.491 6.465 -2.688 265 HD12 LEU 34 HD12 LEU 34 -16.925 6.318 -1.024 266 HD13 LEU 34 HD13 LEU 34 -18.654 6.371 -1.367 267 HD21 LEU 34 HD21 LEU 34 -16.419 2.951 -2.526 268 HD22 LEU 34 HD22 LEU 34 -15.590 4.306 -1.759 269 HD23 LEU 34 HD23 LEU 34 -16.235 4.479 -3.391 270 H PHE 35 H PHE 35 -16.785 1.301 0.845 271 HA PHE 35 HA PHE 35 -14.981 0.486 -1.129 272 HB2 PHE 35 HB2 PHE 35 -14.942 0.534 1.569 273 HB3 PHE 35 HB3 PHE 35 -15.201 -1.186 1.311 274 HD1 PHE 35 HD2 PHE 35 -12.913 1.619 0.814 275 HD2 PHE 35 HD1 PHE 35 -13.470 -2.578 0.392 276 HE1 PHE 35 HE2 PHE 35 -10.499 1.342 0.446 277 HE2 PHE 35 HE1 PHE 35 -11.053 -2.864 0.026 278 HZ PHE 35 HZ PHE 35 -9.564 -0.899 0.056 279 H GLU 36 H GLU 36 -17.647 -1.237 0.429 280 HA GLU 36 HA GLU 36 -17.232 -3.777 -0.629 281 HB2 GLU 36 HB2 GLU 36 -19.858 -2.425 0.009 282 HB3 GLU 36 HB3 GLU 36 -19.649 -4.151 -0.254 283 HG2 GLU 36 HG2 GLU 36 -18.055 -4.149 1.677 284 HG3 GLU 36 HG3 GLU 36 -18.561 -2.489 1.995 285 H ALA 37 H ALA 37 -19.253 -1.151 -1.892 286 HA ALA 37 HA ALA 37 -20.103 -2.535 -4.202 287 HB1 ALA 37 HB1 ALA 37 -21.294 -0.598 -3.281 288 HB2 ALA 37 HB2 ALA 37 -20.893 -0.366 -4.982 289 HB3 ALA 37 HB3 ALA 37 -19.944 0.443 -3.734 290 H GLY 38 H GLY 38 -17.280 -0.636 -3.456 291 HA2 GLY 38 HA2 GLY 38 -16.450 -0.125 -6.118 292 HA3 GLY 38 HA3 GLY 38 -15.440 -0.032 -4.685 293 H TYR 39 H TYR 39 -15.265 -2.540 -3.751 294 HA TYR 39 HA TYR 39 -13.518 -3.680 -5.714 295 HB2 TYR 39 HB2 TYR 39 -12.711 -5.106 -4.057 296 HB3 TYR 39 HB3 TYR 39 -13.174 -3.669 -3.158 297 HD1 TYR 39 HD1 TYR 39 -13.963 -7.183 -3.839 298 HD2 TYR 39 HD2 TYR 39 -15.021 -3.742 -1.577 299 HE1 TYR 39 HE1 TYR 39 -15.305 -8.593 -2.342 300 HE2 TYR 39 HE2 TYR 39 -16.373 -5.143 -0.074 301 HH TYR 39 HH TYR 39 -17.523 -7.305 -0.099 302 H HIS 40 H HIS 40 -16.793 -4.067 -4.979 303 HA HIS 40 HA HIS 40 -17.287 -6.738 -5.579 304 HB2 HIS 40 HB2 HIS 40 -19.003 -5.261 -4.671 305 HB3 HIS 40 HB3 HIS 40 -18.999 -4.308 -6.147 306 HD1 HIS 40 HD1 HIS 40 -20.882 -4.818 -7.634 307 HD2 HIS 40 HD2 HIS 40 -19.798 -8.122 -5.346 308 HE1 HIS 40 HE1 HIS 40 -22.522 -6.631 -8.236 309 HE2 HIS 40 HE2 HIS 40 -21.939 -8.567 -6.736 310 H ASP 41 H ASP 41 -16.855 -3.974 -7.756 311 HA ASP 41 HA ASP 41 -17.377 -5.582 -10.105 312 HB2 ASP 41 HB2 ASP 41 -16.237 -2.788 -9.894 313 HB3 ASP 41 HB3 ASP 41 -16.738 -3.577 -11.382 314 H ILE 42 H ILE 42 -14.645 -4.558 -8.240 315 HA ILE 42 HA ILE 42 -12.669 -4.965 -10.246 316 HB ILE 42 HB ILE 42 -12.307 -4.860 -7.245 317 HG12 ILE 42 HG12 ILE 42 -12.059 -2.674 -9.328 318 HG13 ILE 42 HG13 ILE 42 -13.390 -2.837 -8.187 319 HG21 ILE 42 HG21 ILE 42 -9.982 -4.211 -7.818 320 HG22 ILE 42 HG22 ILE 42 -10.334 -4.557 -9.510 321 HG23 ILE 42 HG23 ILE 42 -10.382 -5.855 -8.318 322 HD11 ILE 42 HD11 ILE 42 -10.511 -2.287 -7.521 323 HD12 ILE 42 HD12 ILE 42 -11.797 -2.534 -6.339 324 HD13 ILE 42 HD13 ILE 42 -11.856 -1.150 -7.433 325 H LEU 43 H LEU 43 -13.099 -6.965 -11.071 326 HA LEU 43 HA LEU 43 -11.541 -9.077 -10.040 327 HB2 LEU 43 HB2 LEU 43 -13.478 -9.385 -8.548 328 HB3 LEU 43 HB3 LEU 43 -14.541 -9.470 -9.941 329 HG LEU 43 HG LEU 43 -13.337 -11.524 -10.675 330 HD11 LEU 43 HD11 LEU 43 -11.223 -11.107 -9.522 331 HD12 LEU 43 HD12 LEU 43 -11.895 -12.681 -9.101 332 HD13 LEU 43 HD13 LEU 43 -12.025 -11.335 -7.969 333 HD21 LEU 43 HD21 LEU 43 -14.536 -11.649 -7.911 334 HD22 LEU 43 HD22 LEU 43 -14.374 -12.995 -9.039 335 HD23 LEU 43 HD23 LEU 43 -15.439 -11.644 -9.426 336 H GLN 44 H GLN 44 -14.279 -8.149 -12.038 337 HA GLN 44 HA GLN 44 -13.896 -10.109 -14.052 338 HB2 GLN 44 HB2 GLN 44 -16.034 -8.925 -13.594 339 HB3 GLN 44 HB3 GLN 44 -15.321 -7.450 -14.226 340 HG2 GLN 44 HG2 GLN 44 -15.173 -8.366 -16.418 341 HG3 GLN 44 HG3 GLN 44 -15.623 -9.970 -15.837 342 HE21 GLN 44 HE21 GLN 44 -16.740 -6.765 -16.556 343 HE22 GLN 44 HE22 GLN 44 -18.434 -7.122 -16.552 344 H LEU 45 H LEU 45 -12.246 -7.221 -13.333 345 HA LEU 45 HA LEU 45 -11.329 -6.637 -15.974 346 HB2 LEU 45 HB2 LEU 45 -11.371 -4.954 -14.175 347 HB3 LEU 45 HB3 LEU 45 -10.167 -5.871 -13.294 348 HG LEU 45 HG LEU 45 -8.504 -5.423 -15.010 349 HD11 LEU 45 HD11 LEU 45 -10.690 -3.891 -16.413 350 HD12 LEU 45 HD12 LEU 45 -9.980 -5.412 -16.952 351 HD13 LEU 45 HD13 LEU 45 -8.994 -3.951 -16.892 352 HD21 LEU 45 HD21 LEU 45 -9.975 -2.927 -14.165 353 HD22 LEU 45 HD22 LEU 45 -8.305 -3.001 -14.725 354 HD23 LEU 45 HD23 LEU 45 -8.764 -3.791 -13.217 355 H LEU 46 H LEU 46 -9.661 -8.016 -13.126 356 HA LEU 46 HA LEU 46 -7.392 -8.871 -14.564 357 HB2 LEU 46 HB2 LEU 46 -8.507 -9.713 -11.895 358 HB3 LEU 46 HB3 LEU 46 -7.032 -10.393 -12.547 359 HG LEU 46 HG LEU 46 -6.394 -8.714 -11.004 360 HD11 LEU 46 HD11 LEU 46 -5.178 -7.121 -12.392 361 HD12 LEU 46 HD12 LEU 46 -6.166 -7.574 -13.781 362 HD13 LEU 46 HD13 LEU 46 -5.081 -8.756 -13.049 363 HD21 LEU 46 HD21 LEU 46 -7.172 -6.416 -11.089 364 HD22 LEU 46 HD22 LEU 46 -8.528 -7.525 -10.878 365 HD23 LEU 46 HD23 LEU 46 -8.214 -6.806 -12.458 366 H ALA 47 H ALA 47 -10.140 -10.749 -13.285 367 HA ALA 47 HA ALA 47 -9.232 -13.181 -14.464 368 HB1 ALA 47 HB1 ALA 47 -10.564 -13.150 -12.418 369 HB2 ALA 47 HB2 ALA 47 -11.346 -14.112 -13.674 370 HB3 ALA 47 HB3 ALA 47 -11.933 -12.489 -13.313 371 H GLY 48 H GLY 48 -11.035 -10.525 -15.628 372 HA2 GLY 48 HA2 GLY 48 -12.449 -11.997 -17.673 373 HA3 GLY 48 HA3 GLY 48 -12.402 -10.249 -17.483 374 H GLN 49 H GLN 49 -9.608 -9.878 -17.522 375 HA GLN 49 HA GLN 49 -9.151 -10.071 -20.363 376 HB2 GLN 49 HB2 GLN 49 -8.490 -8.123 -18.824 377 HB3 GLN 49 HB3 GLN 49 -7.154 -9.143 -18.306 378 HG2 GLN 49 HG2 GLN 49 -6.520 -9.318 -20.750 379 HG3 GLN 49 HG3 GLN 49 -7.681 -8.026 -21.042 380 HE21 GLN 49 HE21 GLN 49 -6.186 -6.528 -21.696 381 HE22 GLN 49 HE22 GLN 49 -5.010 -5.838 -20.630 382 H GLY 50 H GLY 50 -8.368 -11.894 -17.580 383 HA2 GLY 50 HA2 GLY 50 -7.536 -14.101 -17.671 384 HA3 GLY 50 HA3 GLY 50 -6.817 -13.742 -19.235 385 H LYS 51 H LYS 51 -6.543 -11.957 -16.192 386 HA LYS 51 HA LYS 51 -3.674 -12.608 -16.133 387 HB2 LYS 51 HB2 LYS 51 -4.891 -9.873 -15.672 388 HB3 LYS 51 HB3 LYS 51 -3.193 -10.278 -15.482 389 HG2 LYS 51 HG2 LYS 51 -4.739 -10.394 -18.066 390 HG3 LYS 51 HG3 LYS 51 -3.629 -9.112 -17.583 391 HD2 LYS 51 HD2 LYS 51 -1.810 -10.791 -17.470 392 HD3 LYS 51 HD3 LYS 51 -2.940 -12.008 -18.064 393 HE2 LYS 51 HE2 LYS 51 -3.273 -10.662 -20.102 394 HE3 LYS 51 HE3 LYS 51 -2.079 -9.507 -19.511 395 HZ1 LYS 51 HZ1 LYS 51 -0.449 -11.360 -19.490 396 HZ2 LYS 51 HZ2 LYS 51 -1.024 -10.982 -21.039 397 HZ3 LYS 51 HZ3 LYS 51 -1.612 -12.349 -20.230 398 H SER 52 H SER 52 -2.694 -12.251 -13.981 399 HA SER 52 HA SER 52 -4.649 -12.323 -11.784 400 HB2 SER 52 HB2 SER 52 -2.208 -14.106 -11.980 401 HB3 SER 52 HB3 SER 52 -3.449 -14.138 -10.723 402 HG SER 52 HG SER 52 -4.703 -14.383 -13.022 403 HA PRO 53 HA PRO 53 -2.084 -9.257 -9.860 404 HB2 PRO 53 HB2 PRO 53 -2.544 -10.718 -7.325 405 HB3 PRO 53 HB3 PRO 53 -2.880 -9.032 -7.730 406 HG2 PRO 53 HG2 PRO 53 -4.843 -10.809 -7.519 407 HG3 PRO 53 HG3 PRO 53 -4.891 -9.541 -8.755 408 HD2 PRO 53 HD2 PRO 53 -4.225 -12.445 -9.031 409 HD3 PRO 53 HD3 PRO 53 -5.136 -11.387 -10.130 410 H SER 54 H SER 54 0.036 -9.195 -9.878 411 HA SER 54 HA SER 54 1.578 -11.612 -9.366 412 HB2 SER 54 HB2 SER 54 1.921 -10.189 -11.433 413 HB3 SER 54 HB3 SER 54 2.586 -8.943 -10.381 414 HG SER 54 HG SER 54 4.200 -10.302 -11.307 415 H GLY 55 H GLY 55 0.534 -10.768 -7.048 416 HA2 GLY 55 HA2 GLY 55 2.509 -10.708 -5.227 417 HA3 GLY 55 HA3 GLY 55 2.373 -9.010 -5.664 418 HA PRO 56 HA PRO 56 -0.887 -9.711 -2.507 419 HB2 PRO 56 HB2 PRO 56 0.187 -8.363 -0.448 420 HB3 PRO 56 HB3 PRO 56 0.648 -10.028 -0.811 421 HG2 PRO 56 HG2 PRO 56 2.162 -7.524 -1.215 422 HG3 PRO 56 HG3 PRO 56 2.756 -9.177 -0.996 423 HD2 PRO 56 HD2 PRO 56 2.437 -7.726 -3.447 424 HD3 PRO 56 HD3 PRO 56 2.998 -9.396 -3.232 425 HA PRO 57 HA PRO 57 -2.754 -5.743 -3.282 426 HB2 PRO 57 HB2 PRO 57 -4.640 -5.718 -1.322 427 HB3 PRO 57 HB3 PRO 57 -4.782 -6.700 -2.784 428 HG2 PRO 57 HG2 PRO 57 -3.898 -7.499 -0.041 429 HG3 PRO 57 HG3 PRO 57 -4.951 -8.365 -1.174 430 HD2 PRO 57 HD2 PRO 57 -2.337 -8.993 -0.826 431 HD3 PRO 57 HD3 PRO 57 -3.178 -9.205 -2.375 432 H PHE 58 H PHE 58 -3.038 -3.622 -2.365 433 HA PHE 58 HA PHE 58 -1.351 -3.224 0.032 434 HB2 PHE 58 HB2 PHE 58 -1.790 -1.221 -2.190 435 HB3 PHE 58 HB3 PHE 58 -0.623 -1.120 -0.879 436 HD1 PHE 58 HD1 PHE 58 1.382 -2.532 -0.897 437 HD2 PHE 58 HD2 PHE 58 -1.355 -2.504 -4.153 438 HE1 PHE 58 HE1 PHE 58 3.080 -3.590 -2.328 439 HE2 PHE 58 HE2 PHE 58 0.335 -3.568 -5.589 440 HZ PHE 58 HZ PHE 58 2.557 -4.110 -4.677 441 H ALA 59 H ALA 59 -1.852 -0.915 0.976 442 HA ALA 59 HA ALA 59 -4.582 -0.009 0.533 443 HB1 ALA 59 HB1 ALA 59 -4.847 -1.629 2.351 444 HB2 ALA 59 HB2 ALA 59 -5.141 0.017 2.913 445 HB3 ALA 59 HB3 ALA 59 -3.614 -0.781 3.287 446 H ARG 60 H ARG 60 -4.163 2.046 -0.012 447 HA ARG 60 HA ARG 60 -2.142 3.496 1.554 448 HB2 ARG 60 HB2 ARG 60 -1.563 3.443 -0.774 449 HB3 ARG 60 HB3 ARG 60 -3.177 3.952 -1.245 450 HG2 ARG 60 HG2 ARG 60 -2.779 6.126 -0.135 451 HG3 ARG 60 HG3 ARG 60 -1.128 5.607 0.214 452 HD2 ARG 60 HD2 ARG 60 -2.298 5.746 -2.561 453 HD3 ARG 60 HD3 ARG 60 -1.378 7.053 -1.817 454 HE ARG 60 HE ARG 60 0.443 5.267 -1.609 455 HH11 ARG 60 HH11 ARG 60 -1.840 5.515 -4.260 456 HH12 ARG 60 HH12 ARG 60 -0.782 4.735 -5.398 457 HH21 ARG 60 HH21 ARG 60 1.851 4.325 -3.098 458 HH22 ARG 60 HH22 ARG 60 1.332 4.050 -4.732 459 H TYR 61 H TYR 61 -2.768 4.991 2.885 460 HA TYR 61 HA TYR 61 -5.342 6.348 2.451 461 HB2 TYR 61 HB2 TYR 61 -3.665 6.086 4.961 462 HB3 TYR 61 HB3 TYR 61 -5.142 7.035 4.840 463 HD1 TYR 61 HD1 TYR 61 -3.753 3.626 4.854 464 HD2 TYR 61 HD2 TYR 61 -7.298 5.977 4.897 465 HE1 TYR 61 HE1 TYR 61 -5.059 1.635 5.460 466 HE2 TYR 61 HE2 TYR 61 -8.617 3.989 5.502 467 HH TYR 61 HH TYR 61 -7.143 1.047 6.488 468 H PHE 62 H PHE 62 -5.197 8.306 1.602 469 HA PHE 62 HA PHE 62 -2.669 9.785 1.879 470 HB2 PHE 62 HB2 PHE 62 -3.661 9.184 -0.434 471 HB3 PHE 62 HB3 PHE 62 -4.861 10.423 -0.089 472 HD1 PHE 62 HD1 PHE 62 -4.092 12.790 0.279 473 HD2 PHE 62 HD2 PHE 62 -1.515 9.738 -1.188 474 HE1 PHE 62 HE1 PHE 62 -2.541 14.509 -0.559 475 HE2 PHE 62 HE2 PHE 62 0.040 11.449 -2.030 476 HZ PHE 62 HZ PHE 62 -0.470 13.838 -1.714 477 H GLY 63 H GLY 63 -2.659 11.400 3.274 478 HA2 GLY 63 HA2 GLY 63 -3.337 13.429 4.191 479 HA3 GLY 63 HA3 GLY 63 -4.902 13.233 3.417 480 H MET 64 H MET 64 -3.010 11.442 5.866 481 HA MET 64 HA MET 64 -5.432 10.861 7.334 482 HB2 MET 64 HB2 MET 64 -2.541 10.149 7.764 483 HB3 MET 64 HB3 MET 64 -3.769 9.787 8.966 484 HG2 MET 64 HG2 MET 64 -4.055 8.867 6.131 485 HG3 MET 64 HG3 MET 64 -3.093 7.962 7.296 486 HE1 MET 64 HE1 MET 64 -7.669 8.582 7.531 487 HE2 MET 64 HE2 MET 64 -6.685 8.977 6.124 488 HE3 MET 64 HE3 MET 64 -6.536 9.933 7.600 489 H SER 65 H SER 65 -5.558 13.394 7.395 490 HA SER 65 HA SER 65 -5.104 14.066 10.175 491 HB2 SER 65 HB2 SER 65 -3.903 15.754 7.962 492 HB3 SER 65 HB3 SER 65 -3.991 16.223 9.659 493 HG SER 65 HG SER 65 -2.894 13.774 9.441 494 H ALA 66 H ALA 66 -7.247 13.721 8.002 495 HA ALA 66 HA ALA 66 -8.843 16.011 8.813 496 HB1 ALA 66 HB1 ALA 66 -7.795 16.796 6.752 497 HB2 ALA 66 HB2 ALA 66 -9.524 16.537 6.514 498 HB3 ALA 66 HB3 ALA 66 -8.365 15.358 5.903 499 H GLY 67 H GLY 67 -11.148 15.734 8.059 500 HA2 GLY 67 HA2 GLY 67 -12.062 13.087 8.603 501 HA3 GLY 67 HA3 GLY 67 -13.056 14.441 8.081 502 H THR 68 H THR 68 -11.257 14.801 5.717 503 HA THR 68 HA THR 68 -12.372 12.684 4.036 504 HB THR 68 HB THR 68 -10.910 15.192 3.176 505 HG1 THR 68 HG1 THR 68 -13.161 15.210 4.338 506 HG21 THR 68 HG21 THR 68 -12.683 13.283 1.644 507 HG22 THR 68 HG22 THR 68 -10.929 13.402 1.499 508 HG23 THR 68 HG23 THR 68 -11.950 14.752 0.998 509 H PHE 69 H PHE 69 -11.145 11.060 3.369 510 HA PHE 69 HA PHE 69 -8.254 11.446 3.156 511 HB2 PHE 69 HB2 PHE 69 -7.935 9.133 4.137 512 HB3 PHE 69 HB3 PHE 69 -8.420 10.381 5.274 513 HD1 PHE 69 HD1 PHE 69 -10.714 10.414 6.173 514 HD2 PHE 69 HD2 PHE 69 -9.334 7.256 3.674 515 HE1 PHE 69 HE1 PHE 69 -12.595 9.011 6.916 516 HE2 PHE 69 HE2 PHE 69 -11.215 5.850 4.409 517 HZ PHE 69 HZ PHE 69 -12.847 6.727 6.032 518 H GLU 70 H GLU 70 -7.309 10.407 1.462 519 HA GLU 70 HA GLU 70 -9.193 9.193 -0.426 520 HB2 GLU 70 HB2 GLU 70 -7.766 11.151 -1.102 521 HB3 GLU 70 HB3 GLU 70 -6.358 10.114 -0.933 522 HG2 GLU 70 HG2 GLU 70 -6.981 8.783 -2.755 523 HG3 GLU 70 HG3 GLU 70 -8.632 9.402 -2.752 524 H VAL 71 H VAL 71 -9.234 7.060 -0.693 525 HA VAL 71 HA VAL 71 -6.989 5.527 0.412 526 HB VAL 71 HB VAL 71 -8.547 3.624 0.606 527 HG11 VAL 71 HG11 VAL 71 -9.831 4.495 2.482 528 HG12 VAL 71 HG12 VAL 71 -9.524 6.143 1.934 529 HG13 VAL 71 HG13 VAL 71 -8.187 5.135 2.488 530 HG21 VAL 71 HG21 VAL 71 -10.117 4.146 -1.163 531 HG22 VAL 71 HG22 VAL 71 -10.649 5.585 -0.291 532 HG23 VAL 71 HG23 VAL 71 -10.962 3.982 0.378 533 H GLU 72 H GLU 72 -5.667 4.606 -0.925 534 HA GLU 72 HA GLU 72 -6.703 3.577 -3.487 535 HB2 GLU 72 HB2 GLU 72 -3.864 4.469 -2.927 536 HB3 GLU 72 HB3 GLU 72 -4.496 3.901 -4.465 537 HG2 GLU 72 HG2 GLU 72 -6.021 5.874 -4.477 538 HG3 GLU 72 HG3 GLU 72 -5.177 6.462 -3.046 539 H PHE 73 H PHE 73 -7.180 1.539 -2.585 540 HA PHE 73 HA PHE 73 -5.282 0.128 -1.013 541 HB2 PHE 73 HB2 PHE 73 -6.794 -1.878 -1.572 542 HB3 PHE 73 HB3 PHE 73 -7.497 -0.551 -0.658 543 HD1 PHE 73 HD1 PHE 73 -8.918 1.144 -1.909 544 HD2 PHE 73 HD2 PHE 73 -7.750 -2.593 -3.580 545 HE1 PHE 73 HE1 PHE 73 -10.744 1.308 -3.548 546 HE2 PHE 73 HE2 PHE 73 -9.570 -2.426 -5.225 547 HZ PHE 73 HZ PHE 73 -11.069 -0.476 -5.208 548 H GLY 74 H GLY 74 -6.425 -0.549 -4.330 549 HA2 GLY 74 HA2 GLY 74 -5.189 -1.054 -6.205 550 HA3 GLY 74 HA3 GLY 74 -3.737 -0.729 -5.279 551 H PHE 75 H PHE 75 -4.992 -2.938 -7.103 552 HA PHE 75 HA PHE 75 -3.797 -5.151 -5.560 553 HB2 PHE 75 HB2 PHE 75 -5.980 -5.217 -7.660 554 HB3 PHE 75 HB3 PHE 75 -5.130 -6.654 -7.110 555 HD1 PHE 75 HD1 PHE 75 -5.492 -7.530 -4.869 556 HD2 PHE 75 HD2 PHE 75 -7.622 -4.128 -6.284 557 HE1 PHE 75 HE1 PHE 75 -7.111 -7.781 -3.034 558 HE2 PHE 75 HE2 PHE 75 -9.241 -4.376 -4.450 559 HZ PHE 75 HZ PHE 75 -8.986 -6.203 -2.824 560 HA PRO 76 HA PRO 76 -0.663 -5.096 -8.689 561 HB2 PRO 76 HB2 PRO 76 -0.379 -7.993 -8.219 562 HB3 PRO 76 HB3 PRO 76 0.800 -6.699 -7.992 563 HG2 PRO 76 HG2 PRO 76 -0.334 -7.925 -5.903 564 HG3 PRO 76 HG3 PRO 76 0.029 -6.189 -5.870 565 HD2 PRO 76 HD2 PRO 76 -2.586 -7.573 -6.347 566 HD3 PRO 76 HD3 PRO 76 -2.239 -6.133 -5.365 567 H VAL 77 H VAL 77 -0.206 -5.883 -10.793 568 HA VAL 77 HA VAL 77 -2.439 -7.380 -12.004 569 HB VAL 77 HB VAL 77 -2.052 -6.203 -14.086 570 HG11 VAL 77 HG11 VAL 77 -2.731 -3.945 -13.427 571 HG12 VAL 77 HG12 VAL 77 -2.256 -4.294 -11.765 572 HG13 VAL 77 HG13 VAL 77 -3.585 -5.184 -12.508 573 HG21 VAL 77 HG21 VAL 77 0.147 -4.736 -12.629 574 HG22 VAL 77 HG22 VAL 77 -0.459 -4.332 -14.237 575 HG23 VAL 77 HG23 VAL 77 0.347 -5.877 -13.961 576 H GLU 78 H GLU 78 -1.764 -8.482 -14.088 577 HA GLU 78 HA GLU 78 0.587 -10.078 -13.561 578 HB2 GLU 78 HB2 GLU 78 -1.584 -11.029 -14.387 579 HB3 GLU 78 HB3 GLU 78 -1.312 -10.198 -15.912 580 HG2 GLU 78 HG2 GLU 78 -0.656 -12.449 -16.197 581 HG3 GLU 78 HG3 GLU 78 0.816 -11.482 -16.135 582 H GLY 79 H GLY 79 -0.611 -8.357 -16.430 583 HA2 GLY 79 HA2 GLY 79 1.480 -6.689 -16.961 584 HA3 GLY 79 HA3 GLY 79 1.992 -8.239 -17.619 585 H GLY 80 H GLY 80 0.788 -5.440 -18.582 586 HA2 GLY 80 HA2 GLY 80 -0.149 -4.877 -20.634 587 HA3 GLY 80 HA3 GLY 80 -0.424 -6.586 -20.948 588 H VAL 81 H VAL 81 -1.478 -5.117 -18.005 589 HA VAL 81 HA VAL 81 -4.236 -5.776 -18.666 590 HB VAL 81 HB VAL 81 -3.192 -4.688 -16.048 591 HG11 VAL 81 HG11 VAL 81 -5.618 -4.606 -16.329 592 HG12 VAL 81 HG12 VAL 81 -5.149 -5.758 -15.079 593 HG13 VAL 81 HG13 VAL 81 -5.635 -6.336 -16.673 594 HG21 VAL 81 HG21 VAL 81 -3.404 -7.570 -16.905 595 HG22 VAL 81 HG22 VAL 81 -3.044 -7.013 -15.271 596 HG23 VAL 81 HG23 VAL 81 -1.915 -6.681 -16.585 597 H GLU 82 H GLU 82 -5.954 -4.225 -18.267 598 HA GLU 82 HA GLU 82 -5.075 -1.438 -18.619 599 HB2 GLU 82 HB2 GLU 82 -7.445 -2.849 -19.846 600 HB3 GLU 82 HB3 GLU 82 -7.237 -1.104 -19.868 601 HG2 GLU 82 HG2 GLU 82 -5.061 -1.468 -21.042 602 HG3 GLU 82 HG3 GLU 82 -5.491 -3.173 -21.167 603 H GLY 83 H GLY 83 -7.549 -0.214 -18.371 604 HA2 GLY 83 HA2 GLY 83 -8.316 -0.923 -15.612 605 HA3 GLY 83 HA3 GLY 83 -8.026 0.740 -16.098 606 H SER 84 H SER 84 -10.220 0.892 -15.148 607 HA SER 84 HA SER 84 -12.158 1.027 -17.261 608 HB2 SER 84 HB2 SER 84 -13.866 -0.336 -16.003 609 HB3 SER 84 HB3 SER 84 -12.533 -1.283 -16.663 610 HG SER 84 HG SER 84 -12.421 -0.272 -14.032 611 H GLY 85 H GLY 85 -13.110 2.941 -16.958 612 HA2 GLY 85 HA2 GLY 85 -13.993 4.796 -15.923 613 HA3 GLY 85 HA3 GLY 85 -14.276 3.776 -14.519 614 H ARG 86 H ARG 86 -13.331 4.478 -12.740 615 HA ARG 86 HA ARG 86 -11.068 6.307 -12.929 616 HB2 ARG 86 HB2 ARG 86 -13.026 6.688 -11.372 617 HB3 ARG 86 HB3 ARG 86 -12.454 5.317 -10.432 618 HG2 ARG 86 HG2 ARG 86 -10.250 6.563 -10.235 619 HG3 ARG 86 HG3 ARG 86 -11.117 7.968 -10.858 620 HD2 ARG 86 HD2 ARG 86 -11.846 6.401 -8.387 621 HD3 ARG 86 HD3 ARG 86 -11.002 7.944 -8.399 622 HE ARG 86 HE ARG 86 -13.570 7.955 -9.736 623 HH11 ARG 86 HH11 ARG 86 -11.829 8.513 -6.738 624 HH12 ARG 86 HH12 ARG 86 -13.103 9.454 -6.025 625 HH21 ARG 86 HH21 ARG 86 -15.263 9.156 -8.785 626 HH22 ARG 86 HH22 ARG 86 -15.067 9.821 -7.192 627 H VAL 87 H VAL 87 -11.613 2.994 -12.528 628 HA VAL 87 HA VAL 87 -9.326 2.415 -10.877 629 HB VAL 87 HB VAL 87 -10.852 0.481 -12.629 630 HG11 VAL 87 HG11 VAL 87 -8.748 -0.369 -11.765 631 HG12 VAL 87 HG12 VAL 87 -10.108 -1.181 -10.990 632 HG13 VAL 87 HG13 VAL 87 -9.224 0.076 -10.124 633 HG21 VAL 87 HG21 VAL 87 -12.243 -0.015 -10.668 634 HG22 VAL 87 HG22 VAL 87 -12.448 1.648 -11.218 635 HG23 VAL 87 HG23 VAL 87 -11.467 1.306 -9.793 636 H VAL 88 H VAL 88 -7.347 2.823 -11.715 637 HA VAL 88 HA VAL 88 -6.858 1.972 -14.493 638 HB VAL 88 HB VAL 88 -5.277 3.871 -14.740 639 HG11 VAL 88 HG11 VAL 88 -7.533 4.010 -15.648 640 HG12 VAL 88 HG12 VAL 88 -6.981 5.588 -15.085 641 HG13 VAL 88 HG13 VAL 88 -8.122 4.654 -14.115 642 HG21 VAL 88 HG21 VAL 88 -6.496 4.828 -12.148 643 HG22 VAL 88 HG22 VAL 88 -5.409 5.756 -13.185 644 HG23 VAL 88 HG23 VAL 88 -4.829 4.297 -12.379 645 H THR 89 H THR 89 -4.787 1.243 -14.991 646 HA THR 89 HA THR 89 -3.300 0.058 -12.833 647 HB THR 89 HB THR 89 -1.779 -0.687 -14.720 648 HG1 THR 89 HG1 THR 89 -2.713 1.180 -16.064 649 HG21 THR 89 HG21 THR 89 -4.711 -1.359 -15.004 650 HG22 THR 89 HG22 THR 89 -3.591 -2.114 -13.869 651 HG23 THR 89 HG23 THR 89 -3.361 -2.324 -15.605 652 H GLY 90 H GLY 90 -1.251 0.616 -12.126 653 HA2 GLY 90 HA2 GLY 90 0.311 2.610 -13.494 654 HA3 GLY 90 HA3 GLY 90 -0.414 3.204 -12.007 655 H LEU 91 H LEU 91 2.025 3.447 -11.692 656 HA LEU 91 HA LEU 91 3.050 1.014 -10.387 657 HB2 LEU 91 HB2 LEU 91 4.626 3.278 -11.624 658 HB3 LEU 91 HB3 LEU 91 5.320 1.919 -10.765 659 HG LEU 91 HG LEU 91 3.813 1.769 -13.380 660 HD11 LEU 91 HD11 LEU 91 5.997 1.142 -14.301 661 HD12 LEU 91 HD12 LEU 91 6.738 1.438 -12.728 662 HD13 LEU 91 HD13 LEU 91 6.006 2.769 -13.624 663 HD21 LEU 91 HD21 LEU 91 3.467 -0.229 -12.018 664 HD22 LEU 91 HD22 LEU 91 5.209 -0.392 -11.805 665 HD23 LEU 91 HD23 LEU 91 4.497 -0.575 -13.407 666 H THR 92 H THR 92 4.126 1.314 -8.381 667 HA THR 92 HA THR 92 3.115 3.516 -6.831 668 HB THR 92 HB THR 92 4.572 2.386 -5.018 669 HG1 THR 92 HG1 THR 92 5.834 0.882 -5.813 670 HG21 THR 92 HG21 THR 92 2.132 2.148 -5.156 671 HG22 THR 92 HG22 THR 92 2.895 0.640 -4.657 672 HG23 THR 92 HG23 THR 92 2.324 0.833 -6.314 673 HA PRO 93 HA PRO 93 6.372 6.445 -7.264 674 HB2 PRO 93 HB2 PRO 93 6.164 6.717 -4.302 675 HB3 PRO 93 HB3 PRO 93 6.104 7.963 -5.554 676 HG2 PRO 93 HG2 PRO 93 3.875 7.177 -4.349 677 HG3 PRO 93 HG3 PRO 93 3.890 7.499 -6.095 678 HD2 PRO 93 HD2 PRO 93 3.897 4.882 -4.649 679 HD3 PRO 93 HD3 PRO 93 3.071 5.339 -6.152 680 H SER 94 H SER 94 8.483 6.141 -7.454 681 HA SER 94 HA SER 94 9.821 4.192 -5.753 682 HB2 SER 94 HB2 SER 94 10.848 5.663 -8.194 683 HB3 SER 94 HB3 SER 94 11.622 4.294 -7.395 684 HG SER 94 HG SER 94 9.052 3.722 -8.024 685 H GLY 95 H GLY 95 11.413 4.699 -4.325 686 HA2 GLY 95 HA2 GLY 95 13.221 6.553 -4.049 687 HA3 GLY 95 HA3 GLY 95 11.800 7.559 -3.803 688 H LYS 96 H LYS 96 12.942 7.920 -1.725 689 HA LYS 96 HA LYS 96 12.998 5.759 0.143 690 HB2 LYS 96 HB2 LYS 96 13.549 7.706 1.766 691 HB3 LYS 96 HB3 LYS 96 14.727 7.202 0.562 692 HG2 LYS 96 HG2 LYS 96 14.672 9.571 0.585 693 HG3 LYS 96 HG3 LYS 96 13.903 9.031 -0.907 694 HD2 LYS 96 HD2 LYS 96 11.711 9.204 0.495 695 HD3 LYS 96 HD3 LYS 96 12.681 10.266 1.521 696 HE2 LYS 96 HE2 LYS 96 13.285 11.523 -0.532 697 HE3 LYS 96 HE3 LYS 96 12.105 10.568 -1.410 698 HZ1 LYS 96 HZ1 LYS 96 11.481 12.284 0.936 699 HZ2 LYS 96 HZ2 LYS 96 10.367 11.404 0.006 700 HZ3 LYS 96 HZ3 LYS 96 11.202 12.709 -0.682 701 H ALA 97 H ALA 97 11.780 5.486 2.003 702 HA ALA 97 HA ALA 97 9.678 7.331 2.687 703 HB1 ALA 97 HB1 ALA 97 7.839 5.734 2.463 704 HB2 ALA 97 HB2 ALA 97 8.939 4.563 1.736 705 HB3 ALA 97 HB3 ALA 97 8.583 6.074 0.901 706 H ALA 98 H ALA 98 8.668 6.784 4.716 707 HA ALA 98 HA ALA 98 10.448 5.394 6.502 708 HB1 ALA 98 HB1 ALA 98 7.774 6.700 7.029 709 HB2 ALA 98 HB2 ALA 98 9.357 7.451 7.238 710 HB3 ALA 98 HB3 ALA 98 8.883 6.093 8.258 711 H SER 99 H SER 99 10.429 3.241 6.335 712 HA SER 99 HA SER 99 7.827 1.888 6.427 713 HB2 SER 99 HB2 SER 99 10.145 1.078 4.655 714 HB3 SER 99 HB3 SER 99 8.591 0.254 4.780 715 HG SER 99 HG SER 99 8.037 2.761 4.252 716 H SER 100 H SER 100 7.739 0.045 7.602 717 HA SER 100 HA SER 100 10.162 -1.235 8.534 718 HB2 SER 100 HB2 SER 100 9.820 0.479 10.252 719 HB3 SER 100 HB3 SER 100 8.151 -0.039 10.472 720 HG SER 100 HG SER 100 10.200 -0.915 11.792 721 H LEU 101 H LEU 101 9.701 -3.356 9.460 722 HA LEU 101 HA LEU 101 7.152 -4.353 8.427 723 HB2 LEU 101 HB2 LEU 101 8.543 -6.623 8.814 724 HB3 LEU 101 HB3 LEU 101 8.485 -5.736 7.308 725 HG LEU 101 HG LEU 101 10.626 -4.622 7.938 726 HD11 LEU 101 HD11 LEU 101 10.487 -4.890 10.368 727 HD12 LEU 101 HD12 LEU 101 11.978 -5.580 9.722 728 HD13 LEU 101 HD13 LEU 101 10.643 -6.637 10.181 729 HD21 LEU 101 HD21 LEU 101 10.666 -7.631 7.867 730 HD22 LEU 101 HD22 LEU 101 12.004 -6.562 7.443 731 HD23 LEU 101 HD23 LEU 101 10.535 -6.567 6.465 732 H TYR 102 H TYR 102 5.679 -4.990 9.721 733 HA TYR 102 HA TYR 102 6.222 -5.261 12.563 734 HB2 TYR 102 HB2 TYR 102 4.333 -3.898 11.831 735 HB3 TYR 102 HB3 TYR 102 3.651 -5.263 10.963 736 HD1 TYR 102 HD2 TYR 102 4.758 -4.430 14.451 737 HD2 TYR 102 HD1 TYR 102 1.895 -6.332 11.945 738 HE1 TYR 102 HE2 TYR 102 3.418 -5.013 16.432 739 HE2 TYR 102 HE1 TYR 102 0.550 -6.916 13.913 740 HH TYR 102 HH TYR 102 0.912 -7.269 16.349 741 H ILE 103 H ILE 103 6.959 -7.200 13.189 742 HA ILE 103 HA ILE 103 6.088 -9.613 11.784 743 HB ILE 103 HB ILE 103 8.218 -9.328 13.922 744 HG12 ILE 103 HG12 ILE 103 9.635 -9.964 11.755 745 HG13 ILE 103 HG13 ILE 103 8.309 -9.130 10.953 746 HG21 ILE 103 HG21 ILE 103 7.557 -11.647 12.115 747 HG22 ILE 103 HG22 ILE 103 7.294 -11.569 13.856 748 HG23 ILE 103 HG23 ILE 103 8.935 -11.565 13.212 749 HD11 ILE 103 HD11 ILE 103 8.735 -7.153 12.324 750 HD12 ILE 103 HD12 ILE 103 10.147 -7.622 11.375 751 HD13 ILE 103 HD13 ILE 103 10.079 -7.992 13.098 752 H GLY 104 H GLY 104 4.782 -11.118 12.675 753 HA2 GLY 104 HA2 GLY 104 4.198 -12.414 14.653 754 HA3 GLY 104 HA3 GLY 104 4.241 -10.915 15.567 755 HA PRO 105 HA PRO 105 -0.219 -11.796 14.508 756 HB2 PRO 105 HB2 PRO 105 -1.073 -10.987 17.001 757 HB3 PRO 105 HB3 PRO 105 -0.726 -12.663 16.564 758 HG2 PRO 105 HG2 PRO 105 0.978 -10.688 18.021 759 HG3 PRO 105 HG3 PRO 105 0.757 -12.421 18.326 760 HD2 PRO 105 HD2 PRO 105 2.940 -11.462 17.079 761 HD3 PRO 105 HD3 PRO 105 2.227 -13.030 16.648 762 H TYR 106 H TYR 106 -1.804 -10.195 14.144 763 HA TYR 106 HA TYR 106 -0.590 -7.538 13.942 764 HB2 TYR 106 HB2 TYR 106 -1.553 -8.632 11.918 765 HB3 TYR 106 HB3 TYR 106 -3.135 -8.597 12.686 766 HD1 TYR 106 HD2 TYR 106 -0.512 -6.573 11.095 767 HD2 TYR 106 HD1 TYR 106 -4.393 -6.527 12.848 768 HE1 TYR 106 HE2 TYR 106 -0.908 -4.335 10.156 769 HE2 TYR 106 HE1 TYR 106 -4.794 -4.290 11.911 770 HH TYR 106 HH TYR 106 -2.907 -2.925 9.503 771 H GLY 107 H GLY 107 -1.307 -5.800 15.018 772 HA2 GLY 107 HA2 GLY 107 -3.875 -5.327 15.952 773 HA3 GLY 107 HA3 GLY 107 -3.008 -6.134 17.250 774 H GLU 108 H GLU 108 -0.478 -5.054 17.024 775 HA GLU 108 HA GLU 108 -1.117 -2.325 17.877 776 HB2 GLU 108 HB2 GLU 108 1.129 -4.170 18.660 777 HB3 GLU 108 HB3 GLU 108 1.102 -2.465 19.093 778 HG2 GLU 108 HG2 GLU 108 -1.102 -2.869 20.196 779 HG3 GLU 108 HG3 GLU 108 -0.859 -4.591 19.911 780 H ILE 109 H ILE 109 -1.073 -1.525 15.704 781 HA ILE 109 HA ILE 109 1.479 -1.221 14.400 782 HB ILE 109 HB ILE 109 -1.115 0.311 14.065 783 HG12 ILE 109 HG12 ILE 109 -1.171 -2.101 13.415 784 HG13 ILE 109 HG13 ILE 109 -1.447 -1.009 12.064 785 HG21 ILE 109 HG21 ILE 109 1.387 0.390 12.383 786 HG22 ILE 109 HG22 ILE 109 0.749 1.699 13.377 787 HG23 ILE 109 HG23 ILE 109 -0.148 1.150 11.961 788 HD11 ILE 109 HD11 ILE 109 1.130 -2.439 12.694 789 HD12 ILE 109 HD12 ILE 109 0.881 -1.315 11.359 790 HD13 ILE 109 HD13 ILE 109 -0.007 -2.837 11.405 791 H GLU 110 H GLU 110 -0.305 0.242 16.930 792 HA GLU 110 HA GLU 110 0.824 2.757 17.209 793 HB2 GLU 110 HB2 GLU 110 -1.040 1.739 18.562 794 HB3 GLU 110 HB3 GLU 110 0.176 0.839 19.456 795 HG2 GLU 110 HG2 GLU 110 -0.489 2.761 20.720 796 HG3 GLU 110 HG3 GLU 110 1.178 2.963 20.183 797 H ALA 111 H ALA 111 2.123 -0.400 18.019 798 HA ALA 111 HA ALA 111 4.253 0.375 19.661 799 HB1 ALA 111 HB1 ALA 111 4.096 -2.008 17.823 800 HB2 ALA 111 HB2 ALA 111 3.452 -1.931 19.462 801 HB3 ALA 111 HB3 ALA 111 5.191 -1.819 19.192 802 H VAL 112 H VAL 112 4.015 0.165 16.135 803 HA VAL 112 HA VAL 112 6.829 0.777 15.834 804 HB VAL 112 HB VAL 112 5.631 -0.729 14.226 805 HG11 VAL 112 HG11 VAL 112 4.404 1.824 13.210 806 HG12 VAL 112 HG12 VAL 112 3.547 0.497 13.992 807 HG13 VAL 112 HG13 VAL 112 4.314 0.249 12.423 808 HG21 VAL 112 HG21 VAL 112 6.739 0.166 12.223 809 HG22 VAL 112 HG22 VAL 112 7.769 0.216 13.653 810 HG23 VAL 112 HG23 VAL 112 6.998 1.692 13.071 811 H TYR 113 H TYR 113 3.756 2.461 15.750 812 HA TYR 113 HA TYR 113 4.622 4.898 14.632 813 HB2 TYR 113 HB2 TYR 113 2.404 4.210 16.546 814 HB3 TYR 113 HB3 TYR 113 2.728 5.877 16.093 815 HD1 TYR 113 HD1 TYR 113 3.513 5.224 13.181 816 HD2 TYR 113 HD2 TYR 113 0.214 4.091 15.618 817 HE1 TYR 113 HE1 TYR 113 2.118 4.978 11.173 818 HE2 TYR 113 HE2 TYR 113 -1.186 3.836 13.615 819 HH TYR 113 HH TYR 113 -1.272 4.629 11.307 820 H ASP 114 H ASP 114 4.745 3.618 17.883 821 HA ASP 114 HA ASP 114 5.316 5.840 19.392 822 HB2 ASP 114 HB2 ASP 114 4.999 3.374 20.093 823 HB3 ASP 114 HB3 ASP 114 6.732 3.219 19.843 824 H ALA 115 H ALA 115 7.574 3.892 17.478 825 HA ALA 115 HA ALA 115 9.767 5.692 18.187 826 HB1 ALA 115 HB1 ALA 115 11.212 4.093 17.064 827 HB2 ALA 115 HB2 ALA 115 9.805 3.174 16.530 828 HB3 ALA 115 HB3 ALA 115 10.188 3.282 18.248 829 H LEU 116 H LEU 116 7.694 4.847 15.512 830 HA LEU 116 HA LEU 116 9.111 5.780 13.324 831 HB2 LEU 116 HB2 LEU 116 6.575 4.801 13.772 832 HB3 LEU 116 HB3 LEU 116 6.249 6.446 13.273 833 HG LEU 116 HG LEU 116 6.099 5.071 11.341 834 HD11 LEU 116 HD11 LEU 116 7.866 5.943 9.891 835 HD12 LEU 116 HD12 LEU 116 8.758 6.481 11.314 836 HD13 LEU 116 HD13 LEU 116 7.188 7.190 10.936 837 HD21 LEU 116 HD21 LEU 116 7.905 3.616 10.584 838 HD22 LEU 116 HD22 LEU 116 7.291 3.127 12.164 839 HD23 LEU 116 HD23 LEU 116 8.822 3.997 12.042 840 H MET 117 H MET 117 6.749 7.592 15.294 841 HA MET 117 HA MET 117 7.019 9.993 13.839 842 HB2 MET 117 HB2 MET 117 5.724 11.042 15.571 843 HB3 MET 117 HB3 MET 117 5.065 9.442 15.272 844 HG2 MET 117 HG2 MET 117 6.169 8.596 17.264 845 HG3 MET 117 HG3 MET 117 6.885 10.181 17.553 846 HE1 MET 117 HE1 MET 117 5.411 12.374 18.029 847 HE2 MET 117 HE2 MET 117 3.661 12.346 18.239 848 HE3 MET 117 HE3 MET 117 4.361 12.037 16.651 849 H LYS 118 H LYS 118 8.836 8.666 16.494 850 HA LYS 118 HA LYS 118 10.110 11.120 17.231 851 HB2 LYS 118 HB2 LYS 118 9.885 8.950 18.627 852 HB3 LYS 118 HB3 LYS 118 11.240 8.357 17.685 853 HG2 LYS 118 HG2 LYS 118 11.324 10.866 19.352 854 HG3 LYS 118 HG3 LYS 118 11.849 9.281 19.913 855 HD2 LYS 118 HD2 LYS 118 13.003 10.778 17.557 856 HD3 LYS 118 HD3 LYS 118 13.735 10.670 19.158 857 HE2 LYS 118 HE2 LYS 118 13.970 8.267 18.917 858 HE3 LYS 118 HE3 LYS 118 13.145 8.318 17.359 859 HZ1 LYS 118 HZ1 LYS 118 15.792 9.498 18.023 860 HZ2 LYS 118 HZ2 LYS 118 14.976 9.779 16.562 861 HZ3 LYS 118 HZ3 LYS 118 15.478 8.207 16.964 862 H TRP 119 H TRP 119 11.115 8.251 15.414 863 HA TRP 119 HA TRP 119 13.724 8.953 14.848 864 HB2 TRP 119 HB2 TRP 119 12.846 6.721 14.503 865 HB3 TRP 119 HB3 TRP 119 11.772 7.302 13.238 866 HD1 TRP 119 HD1 TRP 119 15.488 6.584 13.895 867 HE1 TRP 119 HE1 TRP 119 16.671 6.289 11.629 868 HE3 TRP 119 HE3 TRP 119 11.622 7.858 10.807 869 HZ2 TRP 119 HZ2 TRP 119 16.035 6.562 8.889 870 HZ3 TRP 119 HZ3 TRP 119 11.990 7.818 8.377 871 HH2 TRP 119 HH2 TRP 119 14.150 7.183 7.442 872 H VAL 120 H VAL 120 10.865 9.495 12.800 873 HA VAL 120 HA VAL 120 12.367 10.653 10.688 874 HB VAL 120 HB VAL 120 10.244 9.586 10.267 875 HG11 VAL 120 HG11 VAL 120 9.099 10.103 12.328 876 HG12 VAL 120 HG12 VAL 120 8.125 10.604 10.948 877 HG13 VAL 120 HG13 VAL 120 9.018 11.805 11.879 878 HG21 VAL 120 HG21 VAL 120 10.935 11.280 8.681 879 HG22 VAL 120 HG22 VAL 120 10.170 12.535 9.656 880 HG23 VAL 120 HG23 VAL 120 9.180 11.309 8.861 881 H ASP 121 H ASP 121 10.456 12.006 13.315 882 HA ASP 121 HA ASP 121 10.539 14.688 12.411 883 HB2 ASP 121 HB2 ASP 121 8.846 13.878 14.002 884 HB3 ASP 121 HB3 ASP 121 10.099 13.642 15.214 885 H ASP 122 H ASP 122 12.583 12.871 14.688 886 HA ASP 122 HA ASP 122 14.071 15.196 15.438 887 HB2 ASP 122 HB2 ASP 122 15.151 13.868 16.957 888 HB3 ASP 122 HB3 ASP 122 13.688 12.929 16.725 889 H ASN 123 H ASN 123 14.503 12.615 13.081 890 HA ASN 123 HA ASN 123 17.135 13.468 12.322 891 HB2 ASN 123 HB2 ASN 123 15.140 11.543 11.193 892 HB3 ASN 123 HB3 ASN 123 16.499 12.057 10.199 893 HD21 ASN 123 HD21 ASN 123 15.512 10.286 13.020 894 HD22 ASN 123 HD22 ASN 123 17.020 9.471 13.271 895 H GLY 124 H GLY 124 13.887 14.310 11.429 896 HA2 GLY 124 HA2 GLY 124 13.322 16.419 10.584 897 HA3 GLY 124 HA3 GLY 124 14.980 16.630 10.051 898 H PHE 125 H PHE 125 12.990 13.815 9.271 899 HA PHE 125 HA PHE 125 13.191 14.463 6.451 900 HB2 PHE 125 HB2 PHE 125 11.904 12.119 7.863 901 HB3 PHE 125 HB3 PHE 125 12.054 12.289 6.127 902 HD1 PHE 125 HD1 PHE 125 14.484 12.614 5.225 903 HD2 PHE 125 HD2 PHE 125 13.515 10.957 9.023 904 HE1 PHE 125 HE1 PHE 125 16.679 11.502 5.300 905 HE2 PHE 125 HE2 PHE 125 15.707 9.849 9.105 906 HZ PHE 125 HZ PHE 125 17.292 10.120 7.240 907 H ASP 126 H ASP 126 11.357 14.776 5.090 908 HA ASP 126 HA ASP 126 9.138 15.979 6.603 909 HB2 ASP 126 HB2 ASP 126 10.558 17.399 5.021 910 HB3 ASP 126 HB3 ASP 126 9.781 16.523 3.707 911 H LEU 127 H LEU 127 7.056 16.065 5.255 912 HA LEU 127 HA LEU 127 5.966 13.509 5.212 913 HB2 LEU 127 HB2 LEU 127 4.998 16.049 3.910 914 HB3 LEU 127 HB3 LEU 127 4.028 14.603 4.100 915 HG LEU 127 HG LEU 127 5.211 16.086 6.438 916 HD11 LEU 127 HD11 LEU 127 3.745 17.596 5.211 917 HD12 LEU 127 HD12 LEU 127 2.996 17.095 6.727 918 HD13 LEU 127 HD13 LEU 127 2.474 16.375 5.205 919 HD21 LEU 127 HD21 LEU 127 3.504 14.866 7.689 920 HD22 LEU 127 HD22 LEU 127 4.575 13.756 6.834 921 HD23 LEU 127 HD23 LEU 127 2.962 14.086 6.203 922 H SER 128 H SER 128 5.307 12.126 3.615 923 HA SER 128 HA SER 128 6.304 12.653 0.898 924 HB2 SER 128 HB2 SER 128 7.215 10.628 2.081 925 HB3 SER 128 HB3 SER 128 5.582 9.969 2.096 926 HG SER 128 HG SER 128 5.641 10.194 -0.242 927 H GLY 129 H GLY 129 3.598 12.860 2.696 928 HA2 GLY 129 HA2 GLY 129 1.510 13.517 1.904 929 HA3 GLY 129 HA3 GLY 129 1.946 12.910 0.319 930 H GLU 130 H GLU 130 2.445 10.304 0.662 931 HA GLU 130 HA GLU 130 -0.220 9.347 1.428 932 HB2 GLU 130 HB2 GLU 130 0.261 7.431 -0.057 933 HB3 GLU 130 HB3 GLU 130 0.336 8.975 -0.897 934 HG2 GLU 130 HG2 GLU 130 2.729 8.927 -0.899 935 HG3 GLU 130 HG3 GLU 130 2.749 7.501 0.138 936 H ALA 131 H ALA 131 -0.526 7.523 2.671 937 HA ALA 131 HA ALA 131 1.876 6.156 3.713 938 HB1 ALA 131 HB1 ALA 131 0.913 7.555 5.488 939 HB2 ALA 131 HB2 ALA 131 0.723 5.840 5.851 940 HB3 ALA 131 HB3 ALA 131 -0.651 6.773 5.258 941 H TYR 132 H TYR 132 1.818 4.000 3.241 942 HA TYR 132 HA TYR 132 -0.786 2.755 2.927 943 HB2 TYR 132 HB2 TYR 132 -0.484 1.950 0.741 944 HB3 TYR 132 HB3 TYR 132 -0.029 3.643 0.670 945 HD1 TYR 132 HD1 TYR 132 2.436 4.228 0.596 946 HD2 TYR 132 HD2 TYR 132 0.992 0.258 0.094 947 HE1 TYR 132 HE1 TYR 132 4.557 3.594 -0.477 948 HE2 TYR 132 HE2 TYR 132 3.108 -0.386 -0.976 949 HH TYR 132 HH TYR 132 5.876 1.616 -0.928 950 H GLU 133 H GLU 133 -0.882 0.781 3.689 951 HA GLU 133 HA GLU 133 1.627 -0.547 4.420 952 HB2 GLU 133 HB2 GLU 133 -1.071 -1.673 5.069 953 HB3 GLU 133 HB3 GLU 133 0.433 -1.798 5.968 954 HG2 GLU 133 HG2 GLU 133 -0.668 -0.367 7.329 955 HG3 GLU 133 HG3 GLU 133 0.049 0.815 6.234 956 H ILE 134 H ILE 134 2.094 -2.652 3.733 957 HA ILE 134 HA ILE 134 0.643 -3.493 1.319 958 HB ILE 134 HB ILE 134 3.392 -4.323 2.277 959 HG12 ILE 134 HG12 ILE 134 2.586 -2.448 0.040 960 HG13 ILE 134 HG13 ILE 134 3.255 -1.947 1.588 961 HG21 ILE 134 HG21 ILE 134 1.978 -4.866 -0.335 962 HG22 ILE 134 HG22 ILE 134 2.289 -6.044 0.940 963 HG23 ILE 134 HG23 ILE 134 3.636 -5.322 0.059 964 HD11 ILE 134 HD11 ILE 134 5.330 -3.110 1.059 965 HD12 ILE 134 HD12 ILE 134 4.931 -1.901 -0.160 966 HD13 ILE 134 HD13 ILE 134 4.652 -3.612 -0.489 967 H TYR 135 H TYR 135 -0.732 -5.157 1.535 968 HA TYR 135 HA TYR 135 -0.453 -6.784 3.972 969 HB2 TYR 135 HB2 TYR 135 -2.895 -5.896 2.451 970 HB3 TYR 135 HB3 TYR 135 -2.947 -7.211 3.623 971 HD1 TYR 135 HD1 TYR 135 -2.603 -6.766 6.002 972 HD2 TYR 135 HD2 TYR 135 -2.649 -3.601 3.159 973 HE1 TYR 135 HE1 TYR 135 -2.862 -5.140 7.827 974 HE2 TYR 135 HE2 TYR 135 -2.918 -1.970 4.975 975 HH TYR 135 HH TYR 135 -3.256 -1.664 7.155 976 H LEU 136 H LEU 136 0.565 -8.575 3.432 977 HA LEU 136 HA LEU 136 -0.128 -10.032 1.042 978 HB2 LEU 136 HB2 LEU 136 1.400 -11.813 2.168 979 HB3 LEU 136 HB3 LEU 136 2.100 -10.383 1.448 980 HG LEU 136 HG LEU 136 3.110 -11.133 3.629 981 HD11 LEU 136 HD11 LEU 136 3.490 -8.899 2.793 982 HD12 LEU 136 HD12 LEU 136 3.323 -8.873 4.550 983 HD13 LEU 136 HD13 LEU 136 1.985 -8.342 3.527 984 HD21 LEU 136 HD21 LEU 136 1.093 -11.769 4.813 985 HD22 LEU 136 HD22 LEU 136 0.527 -10.099 4.782 986 HD23 LEU 136 HD23 LEU 136 1.970 -10.524 5.704 987 H ASP 137 H ASP 137 -0.082 -12.667 1.980 988 HA ASP 137 HA ASP 137 -2.766 -13.082 2.666 989 HB2 ASP 137 HB2 ASP 137 -0.414 -14.960 3.015 990 HB3 ASP 137 HB3 ASP 137 -2.110 -15.429 3.062 991 H ASN 138 H ASN 138 -3.815 -13.328 4.580 992 HA ASN 138 HA ASN 138 -2.738 -11.995 6.807 993 HB2 ASN 138 HB2 ASN 138 -4.810 -12.520 7.938 994 HB3 ASN 138 HB3 ASN 138 -5.164 -12.108 6.267 995 HD21 ASN 138 HD21 ASN 138 -5.234 -14.551 8.684 996 HD22 ASN 138 HD22 ASN 138 -6.073 -15.743 7.757 997 HA PRO 139 HA PRO 139 -0.459 -14.736 9.334 998 HB2 PRO 139 HB2 PRO 139 -2.542 -14.307 11.436 999 HB3 PRO 139 HB3 PRO 139 -0.782 -14.203 11.558 1000 HG2 PRO 139 HG2 PRO 139 -2.247 -11.996 11.410 1001 HG3 PRO 139 HG3 PRO 139 -0.703 -12.116 10.545 1002 HD2 PRO 139 HD2 PRO 139 -3.484 -12.245 9.489 1003 HD3 PRO 139 HD3 PRO 139 -2.016 -11.604 8.729 1004 H ALA 140 H ALA 140 -0.356 -16.798 10.130 1005 HA ALA 140 HA ALA 140 -0.869 -18.969 10.498 1006 HB1 ALA 140 HB1 ALA 140 -3.136 -19.678 11.002 1007 HB2 ALA 140 HB2 ALA 140 -3.760 -18.122 10.456 1008 HB3 ALA 140 HB3 ALA 140 -2.726 -18.206 11.883 1009 H GLU 141 H GLU 141 -2.233 -17.263 7.829 1010 HA GLU 141 HA GLU 141 -2.898 -19.675 6.363 1011 HB2 GLU 141 HB2 GLU 141 -2.939 -16.758 5.587 1012 HB3 GLU 141 HB3 GLU 141 -3.441 -18.066 4.526 1013 HG2 GLU 141 HG2 GLU 141 -4.677 -17.531 7.210 1014 HG3 GLU 141 HG3 GLU 141 -5.293 -16.874 5.694 1015 H THR 142 H THR 142 -0.244 -17.443 6.623 1016 HA THR 142 HA THR 142 1.253 -19.056 4.711 1017 HB THR 142 HB THR 142 0.234 -17.085 3.484 1018 HG1 THR 142 HG1 THR 142 1.912 -17.740 2.356 1019 HG21 THR 142 HG21 THR 142 2.214 -15.520 5.142 1020 HG22 THR 142 HG22 THR 142 0.458 -15.417 5.263 1021 HG23 THR 142 HG23 THR 142 1.271 -14.895 3.788 1022 H ALA 143 H ALA 143 3.345 -19.279 5.228 1023 HA ALA 143 HA ALA 143 5.303 -19.173 6.368 1024 HB1 ALA 143 HB1 ALA 143 5.450 -17.291 4.801 1025 HB2 ALA 143 HB2 ALA 143 6.402 -17.036 6.265 1026 HB3 ALA 143 HB3 ALA 143 4.853 -16.216 6.066 1027 HA PRO 144 HA PRO 144 3.578 -18.367 10.598 1028 HB2 PRO 144 HB2 PRO 144 4.678 -20.646 11.656 1029 HB3 PRO 144 HB3 PRO 144 3.050 -20.558 10.978 1030 HG2 PRO 144 HG2 PRO 144 5.558 -21.605 9.759 1031 HG3 PRO 144 HG3 PRO 144 3.899 -22.206 9.620 1032 HD2 PRO 144 HD2 PRO 144 5.120 -20.755 7.676 1033 HD3 PRO 144 HD3 PRO 144 3.366 -20.725 7.944 1034 H ASP 145 H ASP 145 4.691 -17.233 11.991 1035 HA ASP 145 HA ASP 145 6.370 -16.305 13.205 1036 HB2 ASP 145 HB2 ASP 145 7.281 -18.461 13.715 1037 HB3 ASP 145 HB3 ASP 145 8.011 -18.595 12.120 1038 H GLN 146 H GLN 146 6.819 -16.934 9.828 1039 HA GLN 146 HA GLN 146 8.897 -14.909 9.552 1040 HB2 GLN 146 HB2 GLN 146 7.527 -16.600 7.453 1041 HB3 GLN 146 HB3 GLN 146 8.895 -15.533 7.171 1042 HG2 GLN 146 HG2 GLN 146 10.206 -16.912 8.774 1043 HG3 GLN 146 HG3 GLN 146 8.847 -18.034 8.838 1044 HE21 GLN 146 HE21 GLN 146 8.234 -17.576 5.985 1045 HE22 GLN 146 HE22 GLN 146 9.427 -18.463 5.103 1046 H LEU 147 H LEU 147 5.696 -14.860 9.936 1047 HA LEU 147 HA LEU 147 4.685 -13.159 7.960 1048 HB2 LEU 147 HB2 LEU 147 3.950 -13.611 10.839 1049 HB3 LEU 147 HB3 LEU 147 3.059 -12.501 9.816 1050 HG LEU 147 HG LEU 147 3.434 -15.391 9.073 1051 HD11 LEU 147 HD11 LEU 147 2.363 -15.329 11.256 1052 HD12 LEU 147 HD12 LEU 147 1.204 -15.793 10.009 1053 HD13 LEU 147 HD13 LEU 147 1.189 -14.154 10.660 1054 HD21 LEU 147 HD21 LEU 147 1.408 -13.302 8.273 1055 HD22 LEU 147 HD22 LEU 147 1.464 -14.968 7.695 1056 HD23 LEU 147 HD23 LEU 147 2.769 -13.851 7.292 1057 H ARG 148 H ARG 148 5.430 -11.215 7.432 1058 HA ARG 148 HA ARG 148 5.814 -9.288 9.594 1059 HB2 ARG 148 HB2 ARG 148 7.856 -8.405 8.759 1060 HB3 ARG 148 HB3 ARG 148 8.075 -10.139 8.878 1061 HG2 ARG 148 HG2 ARG 148 7.430 -8.697 6.316 1062 HG3 ARG 148 HG3 ARG 148 9.062 -9.102 6.845 1063 HD2 ARG 148 HD2 ARG 148 8.421 -11.484 6.877 1064 HD3 ARG 148 HD3 ARG 148 6.827 -11.040 6.269 1065 HE ARG 148 HE ARG 148 8.807 -10.008 4.545 1066 HH11 ARG 148 HH11 ARG 148 7.339 -13.034 5.513 1067 HH12 ARG 148 HH12 ARG 148 7.676 -13.834 4.005 1068 HH21 ARG 148 HH21 ARG 148 9.265 -11.052 2.554 1069 HH22 ARG 148 HH22 ARG 148 8.776 -12.701 2.325 1070 H THR 149 H THR 149 4.795 -7.456 9.242 1071 HA THR 149 HA THR 149 3.606 -7.045 6.586 1072 HB THR 149 HB THR 149 2.800 -5.744 9.198 1073 HG1 THR 149 HG1 THR 149 2.554 -8.219 8.739 1074 HG21 THR 149 HG21 THR 149 2.099 -4.536 7.171 1075 HG22 THR 149 HG22 THR 149 0.720 -5.230 8.024 1076 HG23 THR 149 HG23 THR 149 1.337 -6.008 6.565 1077 H ARG 150 H ARG 150 4.917 -5.782 5.388 1078 HA ARG 150 HA ARG 150 6.507 -3.714 6.582 1079 HB2 ARG 150 HB2 ARG 150 6.988 -3.150 4.112 1080 HB3 ARG 150 HB3 ARG 150 7.594 -4.663 4.762 1081 HG2 ARG 150 HG2 ARG 150 5.712 -5.850 3.714 1082 HG3 ARG 150 HG3 ARG 150 5.143 -4.321 3.040 1083 HD2 ARG 150 HD2 ARG 150 7.143 -4.080 1.735 1084 HD3 ARG 150 HD3 ARG 150 7.881 -5.476 2.517 1085 HE ARG 150 HE ARG 150 5.847 -6.690 1.434 1086 HH11 ARG 150 HH11 ARG 150 7.718 -4.092 0.003 1087 HH12 ARG 150 HH12 ARG 150 7.439 -4.612 -1.629 1088 HH21 ARG 150 HH21 ARG 150 5.501 -7.397 -0.707 1089 HH22 ARG 150 HH22 ARG 150 6.172 -6.492 -2.039 1090 H VAL 151 H VAL 151 5.585 -1.978 7.326 1091 HA VAL 151 HA VAL 151 3.287 -0.802 5.929 1092 HB VAL 151 HB VAL 151 2.991 -1.293 8.329 1093 HG11 VAL 151 HG11 VAL 151 5.290 -1.002 9.080 1094 HG12 VAL 151 HG12 VAL 151 4.182 -0.014 10.032 1095 HG13 VAL 151 HG13 VAL 151 5.178 0.733 8.782 1096 HG21 VAL 151 HG21 VAL 151 2.149 0.909 9.018 1097 HG22 VAL 151 HG22 VAL 151 1.715 0.523 7.353 1098 HG23 VAL 151 HG23 VAL 151 3.028 1.652 7.682 1099 H SER 152 H SER 152 3.359 1.253 5.090 1100 HA SER 152 HA SER 152 5.847 2.780 5.478 1101 HB2 SER 152 HB2 SER 152 5.724 1.811 3.191 1102 HB3 SER 152 HB3 SER 152 4.191 2.644 2.940 1103 HG SER 152 HG SER 152 5.519 4.114 2.170 1104 H LEU 153 H LEU 153 5.516 4.713 6.368 1105 HA LEU 153 HA LEU 153 2.744 5.682 6.542 1106 HB2 LEU 153 HB2 LEU 153 4.075 5.197 8.632 1107 HB3 LEU 153 HB3 LEU 153 5.125 6.529 8.192 1108 HG LEU 153 HG LEU 153 3.184 8.067 8.346 1109 HD11 LEU 153 HD11 LEU 153 1.400 6.491 7.889 1110 HD12 LEU 153 HD12 LEU 153 1.141 7.279 9.444 1111 HD13 LEU 153 HD13 LEU 153 1.755 5.628 9.386 1112 HD21 LEU 153 HD21 LEU 153 3.699 6.440 10.830 1113 HD22 LEU 153 HD22 LEU 153 3.067 8.086 10.772 1114 HD23 LEU 153 HD23 LEU 153 4.713 7.754 10.232 1115 H MET 154 H MET 154 2.734 8.220 6.863 1116 HA MET 154 HA MET 154 3.669 9.388 4.412 1117 HB2 MET 154 HB2 MET 154 2.324 10.621 6.826 1118 HB3 MET 154 HB3 MET 154 2.641 11.472 5.323 1119 HG2 MET 154 HG2 MET 154 1.163 9.969 4.130 1120 HG3 MET 154 HG3 MET 154 0.892 9.043 5.605 1121 HE1 MET 154 HE1 MET 154 -0.336 10.051 7.771 1122 HE2 MET 154 HE2 MET 154 -0.939 11.708 7.852 1123 HE3 MET 154 HE3 MET 154 0.797 11.403 7.751 1124 H LEU 155 H LEU 155 5.687 8.449 6.306 1125 HA LEU 155 HA LEU 155 7.749 8.991 7.016 1126 HB2 LEU 155 HB2 LEU 155 7.090 11.377 5.386 1127 HB3 LEU 155 HB3 LEU 155 8.404 11.546 6.533 1128 HG LEU 155 HG LEU 155 9.181 10.957 4.269 1129 HD11 LEU 155 HD11 LEU 155 9.650 8.795 6.314 1130 HD12 LEU 155 HD12 LEU 155 10.498 10.337 6.231 1131 HD13 LEU 155 HD13 LEU 155 10.679 9.163 4.931 1132 HD21 LEU 155 HD21 LEU 155 7.274 9.604 3.564 1133 HD22 LEU 155 HD22 LEU 155 7.717 8.364 4.739 1134 HD23 LEU 155 HD23 LEU 155 8.791 8.721 3.384 1135 H HIS 156 H HIS 156 6.294 12.196 7.454 1136 HA HIS 156 HA HIS 156 7.624 12.585 9.891 1137 HB2 HIS 156 HB2 HIS 156 6.435 14.231 8.147 1138 HB3 HIS 156 HB3 HIS 156 5.163 14.158 9.360 1139 HD1 HIS 156 HD1 HIS 156 5.359 16.339 10.538 1140 HD2 HIS 156 HD2 HIS 156 9.051 14.510 9.998 1141 HE1 HIS 156 HE1 HIS 156 7.020 17.799 11.733 1142 HE2 HIS 156 HE2 HIS 156 9.264 16.819 11.138 1143 H GLU 157 H GLU 157 4.068 12.503 9.534 1144 HA GLU 157 HA GLU 157 3.520 10.479 11.353 1145 HB2 GLU 157 HB2 GLU 157 4.575 11.897 13.052 1146 HB3 GLU 157 HB3 GLU 157 3.510 13.230 12.627 1147 HG2 GLU 157 HG2 GLU 157 1.749 11.209 13.218 1148 HG3 GLU 157 HG3 GLU 157 3.054 10.954 14.376 1149 H SER 158 H SER 158 2.005 13.585 11.803 1150 HA SER 158 HA SER 158 -0.060 12.944 9.815 1151 HB2 SER 158 HB2 SER 158 -0.586 14.132 12.559 1152 HB3 SER 158 HB3 SER 158 -1.796 13.754 11.333 1153 HG SER 158 HG SER 158 -0.200 11.622 11.943 1154 H LEU 159 H LEU 159 1.418 14.327 8.591 1155 HA LEU 159 HA LEU 159 2.341 16.234 7.814 1156 HB2 LEU 159 HB2 LEU 159 -0.231 17.288 8.961 1157 HB3 LEU 159 HB3 LEU 159 0.943 18.374 8.247 1158 HG LEU 159 HG LEU 159 0.760 17.097 6.113 1159 HD11 LEU 159 HD11 LEU 159 -1.525 15.713 7.500 1160 HD12 LEU 159 HD12 LEU 159 -0.005 14.969 7.009 1161 HD13 LEU 159 HD13 LEU 159 -1.118 15.586 5.790 1162 HD21 LEU 159 HD21 LEU 159 -0.488 19.147 6.442 1163 HD22 LEU 159 HD22 LEU 159 -1.804 18.245 7.194 1164 HD23 LEU 159 HD23 LEU 159 -1.425 17.997 5.491 1165 H GLU 160 H GLU 160 1.076 18.286 10.262 1166 HA GLU 160 HA GLU 160 3.304 17.768 12.038 1167 HB2 GLU 160 HB2 GLU 160 3.384 20.415 12.251 1168 HB3 GLU 160 HB3 GLU 160 4.372 19.541 11.094 1169 HG2 GLU 160 HG2 GLU 160 3.452 21.394 9.964 1170 HG3 GLU 160 HG3 GLU 160 2.594 19.967 9.388 1171 H HIS 161 H HIS 161 0.434 17.314 11.936 1172 HA HIS 161 HA HIS 161 -0.672 18.974 14.052 1173 HB2 HIS 161 HB2 HIS 161 -1.811 16.565 12.599 1174 HB3 HIS 161 HB3 HIS 161 -2.682 17.527 13.786 1175 HD1 HIS 161 HD1 HIS 161 -3.949 19.503 12.920 1176 HD2 HIS 161 HD2 HIS 161 -1.179 18.058 10.173 1177 HE1 HIS 161 HE1 HIS 161 -4.377 20.769 10.791 1178 HE2 HIS 161 HE2 HIS 161 -2.557 20.031 9.212 1179 H HIS 162 H HIS 162 1.531 17.880 14.994 1180 HA HIS 162 HA HIS 162 1.250 15.234 16.040 1181 HB2 HIS 162 HB2 HIS 162 3.407 15.866 17.273 1182 HB3 HIS 162 HB3 HIS 162 3.456 15.829 15.516 1183 HD1 HIS 162 HD1 HIS 162 5.190 17.547 15.024 1184 HD2 HIS 162 HD2 HIS 162 2.321 18.928 17.698 1185 HE1 HIS 162 HE1 HIS 162 5.642 20.007 15.299 1186 HE2 HIS 162 HE2 HIS 162 3.733 20.853 16.712 1187 H HIS 163 H HIS 163 -0.915 16.483 16.992 1188 HA HIS 163 HA HIS 163 -0.534 16.031 19.814 1189 HB2 HIS 163 HB2 HIS 163 -0.157 18.541 19.457 1190 HB3 HIS 163 HB3 HIS 163 -1.859 18.632 19.015 1191 HD1 HIS 163 HD1 HIS 163 0.433 18.210 21.919 1192 HD2 HIS 163 HD2 HIS 163 -3.665 18.299 21.179 1193 HE1 HIS 163 HE1 HIS 163 -0.666 18.430 24.175 1194 HE2 HIS 163 HE2 HIS 163 -3.139 18.566 23.704 1195 H HIS 164 H HIS 164 -1.812 14.252 19.416 1196 HA HIS 164 HA HIS 164 -4.640 14.696 19.170 1197 HB2 HIS 164 HB2 HIS 164 -4.879 13.124 17.213 1198 HB3 HIS 164 HB3 HIS 164 -4.173 14.684 16.818 1199 HD1 HIS 164 HD1 HIS 164 -3.720 11.213 16.141 1200 HD2 HIS 164 HD2 HIS 164 -1.167 14.436 16.788 1201 HE1 HIS 164 HE1 HIS 164 -1.494 10.534 15.174 1202 HE2 HIS 164 HE2 HIS 164 0.070 12.450 15.693 1203 H HIS 165 H HIS 165 -5.844 12.604 19.358 1204 HA HIS 165 HA HIS 165 -4.648 11.267 21.609 1205 HB2 HIS 165 HB2 HIS 165 -7.040 11.941 21.590 1206 HB3 HIS 165 HB3 HIS 165 -7.335 10.769 20.309 1207 HD1 HIS 165 HD1 HIS 165 -6.479 10.992 23.963 1208 HD2 HIS 165 HD2 HIS 165 -7.591 8.131 21.156 1209 HE1 HIS 165 HE1 HIS 165 -6.967 8.900 25.275 1210 HE2 HIS 165 HE2 HIS 165 -7.793 7.234 23.575 1211 H HIS 166 H HIS 166 -3.911 9.260 21.760 1212 HA HIS 166 HA HIS 166 -4.514 7.270 19.766 1213 HB2 HIS 166 HB2 HIS 166 -2.186 6.753 19.197 1214 HB3 HIS 166 HB3 HIS 166 -2.608 8.384 18.699 1215 HD1 HIS 166 HD1 HIS 166 0.115 6.654 20.043 1216 HD2 HIS 166 HD2 HIS 166 -1.738 10.257 21.017 1217 HE1 HIS 166 HE1 HIS 166 1.821 7.975 21.345 1218 HE2 HIS 166 HE2 HIS 166 0.589 10.035 22.119 Start of MODEL 8 1 H1 MET 1 H1 MET 1 1.404 9.951 20.181 2 H2 MET 1 H2 MET 1 2.229 11.273 20.853 3 H3 MET 1 H3 MET 1 0.578 11.401 20.495 4 HA MET 1 HA MET 1 0.963 11.127 22.871 5 HB2 MET 1 HB2 MET 1 -0.368 8.775 21.508 6 HB3 MET 1 HB3 MET 1 -0.546 9.172 23.210 7 HG2 MET 1 HG2 MET 1 -1.525 11.340 22.567 8 HG3 MET 1 HG3 MET 1 -1.417 10.854 20.876 9 HE1 MET 1 HE1 MET 1 -3.851 7.743 20.828 10 HE2 MET 1 HE2 MET 1 -2.132 7.679 21.213 11 HE3 MET 1 HE3 MET 1 -2.701 8.703 19.896 12 H ASP 2 H ASP 2 3.216 9.731 21.137 13 HA ASP 2 HA ASP 2 4.944 8.309 21.438 14 HB2 ASP 2 HB2 ASP 2 4.131 8.475 24.350 15 HB3 ASP 2 HB3 ASP 2 5.620 7.743 23.769 16 H PHE 3 H PHE 3 3.319 6.899 24.175 17 HA PHE 3 HA PHE 3 2.309 4.925 24.591 18 HB2 PHE 3 HB2 PHE 3 0.762 5.878 22.819 19 HB3 PHE 3 HB3 PHE 3 1.571 4.818 21.671 20 HD1 PHE 3 HD1 PHE 3 -0.208 4.738 24.938 21 HD2 PHE 3 HD2 PHE 3 0.752 2.679 21.339 22 HE1 PHE 3 HE1 PHE 3 -1.736 2.917 25.577 23 HE2 PHE 3 HE2 PHE 3 -0.774 0.856 21.970 24 HZ PHE 3 HZ PHE 3 -2.021 0.976 24.091 25 H GLU 4 H GLU 4 4.957 5.078 22.570 26 HA GLU 4 HA GLU 4 5.035 2.187 22.142 27 HB2 GLU 4 HB2 GLU 4 6.962 2.787 20.578 28 HB3 GLU 4 HB3 GLU 4 5.343 3.236 20.075 29 HG2 GLU 4 HG2 GLU 4 6.700 5.059 19.531 30 HG3 GLU 4 HG3 GLU 4 5.845 5.544 20.991 31 H CYS 5 H CYS 5 7.088 1.091 22.368 32 HA CYS 5 HA CYS 5 8.738 2.176 24.535 33 HB2 CYS 5 HB2 CYS 5 8.701 -0.620 23.359 34 HB3 CYS 5 HB3 CYS 5 9.589 -0.103 24.790 35 HG CYS 5 HG CYS 5 6.589 0.723 25.493 36 H GLN 6 H GLN 6 9.086 0.394 21.491 37 HA GLN 6 HA GLN 6 10.673 2.287 20.202 38 HB2 GLN 6 HB2 GLN 6 12.397 1.569 21.855 39 HB3 GLN 6 HB3 GLN 6 12.253 -0.076 21.251 40 HG2 GLN 6 HG2 GLN 6 14.203 1.064 20.333 41 HG3 GLN 6 HG3 GLN 6 13.052 0.618 19.073 42 HE21 GLN 6 HE21 GLN 6 14.459 3.241 20.872 43 HE22 GLN 6 HE22 GLN 6 13.917 4.513 19.830 44 H PHE 7 H PHE 7 10.392 1.887 18.094 45 HA PHE 7 HA PHE 7 9.875 -0.889 17.258 46 HB2 PHE 7 HB2 PHE 7 8.427 1.631 16.439 47 HB3 PHE 7 HB3 PHE 7 8.365 0.158 15.479 48 HD1 PHE 7 HD2 PHE 7 7.368 1.736 18.636 49 HD2 PHE 7 HD1 PHE 7 7.096 -1.741 16.200 50 HE1 PHE 7 HE2 PHE 7 5.500 0.920 20.015 51 HE2 PHE 7 HE1 PHE 7 5.230 -2.565 17.575 52 HZ PHE 7 HZ PHE 7 4.432 -1.234 19.486 53 H VAL 8 H VAL 8 11.187 -1.599 15.711 54 HA VAL 8 HA VAL 8 13.195 0.091 14.609 55 HB VAL 8 HB VAL 8 12.393 -2.711 13.805 56 HG11 VAL 8 HG11 VAL 8 14.619 -2.827 12.761 57 HG12 VAL 8 HG12 VAL 8 14.864 -1.117 13.125 58 HG13 VAL 8 HG13 VAL 8 13.595 -1.608 12.002 59 HG21 VAL 8 HG21 VAL 8 14.338 -3.389 15.131 60 HG22 VAL 8 HG22 VAL 8 13.139 -2.552 16.118 61 HG23 VAL 8 HG23 VAL 8 14.598 -1.710 15.598 62 H CYS 9 H CYS 9 12.659 1.632 13.248 63 HA CYS 9 HA CYS 9 11.173 0.909 10.826 64 HB2 CYS 9 HB2 CYS 9 10.793 3.562 12.213 65 HB3 CYS 9 HB3 CYS 9 9.817 2.856 10.930 66 HG CYS 9 HG CYS 9 9.928 1.777 14.177 67 H GLU 10 H GLU 10 12.528 1.291 9.149 68 HA GLU 10 HA GLU 10 14.110 3.754 9.261 69 HB2 GLU 10 HB2 GLU 10 16.097 2.701 8.446 70 HB3 GLU 10 HB3 GLU 10 15.573 1.822 9.873 71 HG2 GLU 10 HG2 GLU 10 14.893 0.905 7.101 72 HG3 GLU 10 HG3 GLU 10 16.412 0.478 7.883 73 H LEU 11 H LEU 11 15.282 3.867 6.954 74 HA LEU 11 HA LEU 11 13.086 4.123 5.098 75 HB2 LEU 11 HB2 LEU 11 14.721 5.921 5.431 76 HB3 LEU 11 HB3 LEU 11 16.008 4.868 4.875 77 HG LEU 11 HG LEU 11 14.730 4.760 2.666 78 HD11 LEU 11 HD11 LEU 11 13.244 6.619 2.201 79 HD12 LEU 11 HD12 LEU 11 13.394 7.176 3.868 80 HD13 LEU 11 HD13 LEU 11 12.614 5.633 3.520 81 HD21 LEU 11 HD21 LEU 11 15.917 7.374 3.586 82 HD22 LEU 11 HD22 LEU 11 15.700 6.877 1.909 83 HD23 LEU 11 HD23 LEU 11 16.808 5.990 2.955 84 H LYS 12 H LYS 12 12.516 2.357 4.028 85 HA LYS 12 HA LYS 12 14.570 0.417 3.202 86 HB2 LYS 12 HB2 LYS 12 11.562 0.102 3.334 87 HB3 LYS 12 HB3 LYS 12 12.704 -1.157 2.895 88 HG2 LYS 12 HG2 LYS 12 13.637 -1.139 5.125 89 HG3 LYS 12 HG3 LYS 12 12.577 0.200 5.579 90 HD2 LYS 12 HD2 LYS 12 10.620 -1.230 5.120 91 HD3 LYS 12 HD3 LYS 12 11.705 -2.568 4.742 92 HE2 LYS 12 HE2 LYS 12 11.553 -1.138 7.394 93 HE3 LYS 12 HE3 LYS 12 10.798 -2.689 7.030 94 HZ1 LYS 12 HZ1 LYS 12 12.943 -3.667 6.692 95 HZ2 LYS 12 HZ2 LYS 12 12.943 -2.878 8.194 96 HZ3 LYS 12 HZ3 LYS 12 13.714 -2.169 6.870 97 H GLU 13 H GLU 13 14.459 -0.458 1.025 98 HA GLU 13 HA GLU 13 13.906 1.631 -0.859 99 HB2 GLU 13 HB2 GLU 13 14.898 0.098 -2.528 100 HB3 GLU 13 HB3 GLU 13 15.939 0.378 -1.143 101 HG2 GLU 13 HG2 GLU 13 16.176 -1.881 -1.519 102 HG3 GLU 13 HG3 GLU 13 14.964 -1.831 -0.243 103 H LEU 14 H LEU 14 12.618 1.507 -2.673 104 HA LEU 14 HA LEU 14 10.494 -0.532 -2.650 105 HB2 LEU 14 HB2 LEU 14 10.305 2.439 -2.927 106 HB3 LEU 14 HB3 LEU 14 9.190 1.450 -3.842 107 HG LEU 14 HG LEU 14 8.105 2.145 -1.836 108 HD11 LEU 14 HD11 LEU 14 8.948 -0.739 -1.645 109 HD12 LEU 14 HD12 LEU 14 7.581 -0.091 -2.552 110 HD13 LEU 14 HD13 LEU 14 7.583 -0.017 -0.791 111 HD21 LEU 14 HD21 LEU 14 10.414 0.938 -0.319 112 HD22 LEU 14 HD22 LEU 14 8.957 1.637 0.388 113 HD23 LEU 14 HD23 LEU 14 10.083 2.660 -0.503 114 H ALA 15 H ALA 15 9.917 -1.360 -4.629 115 HA ALA 15 HA ALA 15 11.842 -0.842 -6.780 116 HB1 ALA 15 HB1 ALA 15 9.986 -3.187 -6.346 117 HB2 ALA 15 HB2 ALA 15 11.703 -3.140 -5.939 118 HB3 ALA 15 HB3 ALA 15 11.194 -3.045 -7.626 119 HA PRO 16 HA PRO 16 8.740 0.799 -9.552 120 HB2 PRO 16 HB2 PRO 16 9.409 -0.502 -11.882 121 HB3 PRO 16 HB3 PRO 16 10.238 0.933 -11.274 122 HG2 PRO 16 HG2 PRO 16 11.030 -1.940 -11.077 123 HG3 PRO 16 HG3 PRO 16 12.040 -0.512 -11.359 124 HD2 PRO 16 HD2 PRO 16 11.895 -1.727 -8.956 125 HD3 PRO 16 HD3 PRO 16 12.132 0.025 -9.123 126 H VAL 17 H VAL 17 6.796 0.067 -8.985 127 HA VAL 17 HA VAL 17 6.033 -2.672 -9.746 128 HB VAL 17 HB VAL 17 5.001 -1.062 -7.400 129 HG11 VAL 17 HG11 VAL 17 3.795 -3.112 -6.794 130 HG12 VAL 17 HG12 VAL 17 4.343 -3.868 -8.290 131 HG13 VAL 17 HG13 VAL 17 3.263 -2.474 -8.351 132 HG21 VAL 17 HG21 VAL 17 6.087 -2.792 -6.028 133 HG22 VAL 17 HG22 VAL 17 7.248 -1.889 -7.001 134 HG23 VAL 17 HG23 VAL 17 6.761 -3.512 -7.490 135 HA PRO 18 HA PRO 18 3.277 -0.052 -12.388 136 HB2 PRO 18 HB2 PRO 18 3.020 -2.765 -13.583 137 HB3 PRO 18 HB3 PRO 18 3.261 -1.204 -14.377 138 HG2 PRO 18 HG2 PRO 18 5.263 -2.951 -14.177 139 HG3 PRO 18 HG3 PRO 18 5.547 -1.210 -13.993 140 HD2 PRO 18 HD2 PRO 18 5.389 -3.339 -11.899 141 HD3 PRO 18 HD3 PRO 18 6.453 -1.920 -11.987 142 H ALA 19 H ALA 19 1.239 0.249 -11.695 143 HA ALA 19 HA ALA 19 -0.298 -2.013 -10.694 144 HB1 ALA 19 HB1 ALA 19 -0.632 -1.023 -8.497 145 HB2 ALA 19 HB2 ALA 19 0.440 0.313 -8.924 146 HB3 ALA 19 HB3 ALA 19 1.082 -1.326 -8.792 147 H LEU 20 H LEU 20 -2.452 -1.332 -9.908 148 HA LEU 20 HA LEU 20 -3.397 1.174 -11.127 149 HB2 LEU 20 HB2 LEU 20 -4.591 -1.561 -11.239 150 HB3 LEU 20 HB3 LEU 20 -5.671 -0.184 -11.152 151 HG LEU 20 HG LEU 20 -4.438 0.722 -13.194 152 HD11 LEU 20 HD11 LEU 20 -3.506 -2.137 -13.343 153 HD12 LEU 20 HD12 LEU 20 -2.483 -0.728 -13.067 154 HD13 LEU 20 HD13 LEU 20 -3.327 -0.917 -14.604 155 HD21 LEU 20 HD21 LEU 20 -5.759 -0.660 -14.726 156 HD22 LEU 20 HD22 LEU 20 -6.684 -0.170 -13.305 157 HD23 LEU 20 HD23 LEU 20 -6.050 -1.812 -13.422 158 H LEU 21 H LEU 21 -4.486 2.485 -9.811 159 HA LEU 21 HA LEU 21 -5.140 1.471 -7.128 160 HB2 LEU 21 HB2 LEU 21 -4.079 4.195 -7.887 161 HB3 LEU 21 HB3 LEU 21 -4.635 3.756 -6.286 162 HG LEU 21 HG LEU 21 -2.795 1.922 -6.404 163 HD11 LEU 21 HD11 LEU 21 -2.245 2.157 -8.753 164 HD12 LEU 21 HD12 LEU 21 -0.852 2.570 -7.755 165 HD13 LEU 21 HD13 LEU 21 -1.810 3.846 -8.503 166 HD21 LEU 21 HD21 LEU 21 -2.093 4.841 -6.141 167 HD22 LEU 21 HD22 LEU 21 -1.145 3.494 -5.515 168 HD23 LEU 21 HD23 LEU 21 -2.757 3.813 -4.872 169 H ILE 22 H ILE 22 -7.145 1.850 -6.414 170 HA ILE 22 HA ILE 22 -8.860 3.593 -8.041 171 HB ILE 22 HB ILE 22 -9.644 1.313 -8.142 172 HG12 ILE 22 HG12 ILE 22 -11.388 2.898 -6.244 173 HG13 ILE 22 HG13 ILE 22 -11.346 3.094 -7.993 174 HG21 ILE 22 HG21 ILE 22 -9.669 1.361 -5.130 175 HG22 ILE 22 HG22 ILE 22 -8.595 0.413 -6.159 176 HG23 ILE 22 HG23 ILE 22 -10.325 0.069 -6.135 177 HD11 ILE 22 HD11 ILE 22 -13.265 1.780 -7.289 178 HD12 ILE 22 HD12 ILE 22 -12.192 0.609 -6.523 179 HD13 ILE 22 HD13 ILE 22 -12.163 0.818 -8.273 180 H ARG 23 H ARG 23 -9.488 5.411 -7.109 181 HA ARG 23 HA ARG 23 -8.768 5.881 -4.364 182 HB2 ARG 23 HB2 ARG 23 -9.628 8.213 -4.851 183 HB3 ARG 23 HB3 ARG 23 -8.263 7.670 -5.814 184 HG2 ARG 23 HG2 ARG 23 -9.816 7.131 -7.655 185 HG3 ARG 23 HG3 ARG 23 -11.141 7.785 -6.689 186 HD2 ARG 23 HD2 ARG 23 -10.097 9.961 -6.659 187 HD3 ARG 23 HD3 ARG 23 -8.678 9.325 -7.493 188 HE ARG 23 HE ARG 23 -11.089 8.920 -8.987 189 HH11 ARG 23 HH11 ARG 23 -8.613 11.271 -8.178 190 HH12 ARG 23 HH12 ARG 23 -8.851 12.204 -9.626 191 HH21 ARG 23 HH21 ARG 23 -11.388 10.136 -10.901 192 HH22 ARG 23 HH22 ARG 23 -10.408 11.545 -11.190 193 H THR 24 H THR 24 -9.985 5.359 -2.780 194 HA THR 24 HA THR 24 -12.915 5.533 -3.023 195 HB THR 24 HB THR 24 -11.337 3.399 -1.571 196 HG1 THR 24 HG1 THR 24 -11.184 3.042 -3.776 197 HG21 THR 24 HG21 THR 24 -13.506 3.876 -0.545 198 HG22 THR 24 HG22 THR 24 -13.487 2.280 -1.294 199 HG23 THR 24 HG23 THR 24 -14.298 3.623 -2.099 200 H GLN 25 H GLN 25 -13.567 7.108 -1.608 201 HA GLN 25 HA GLN 25 -11.919 7.735 0.687 202 HB2 GLN 25 HB2 GLN 25 -14.596 8.857 -0.149 203 HB3 GLN 25 HB3 GLN 25 -13.587 9.483 1.150 204 HG2 GLN 25 HG2 GLN 25 -11.810 9.952 -0.484 205 HG3 GLN 25 HG3 GLN 25 -12.869 9.386 -1.772 206 HE21 GLN 25 HE21 GLN 25 -11.644 11.997 -1.407 207 HE22 GLN 25 HE22 GLN 25 -12.953 13.133 -1.330 208 H THR 26 H THR 26 -12.220 7.095 2.738 209 HA THR 26 HA THR 26 -14.605 5.483 3.345 210 HB THR 26 HB THR 26 -11.739 4.649 3.845 211 HG1 THR 26 HG1 THR 26 -13.129 4.435 1.671 212 HG21 THR 26 HG21 THR 26 -14.324 3.203 4.439 213 HG22 THR 26 HG22 THR 26 -13.225 3.895 5.631 214 HG23 THR 26 HG23 THR 26 -12.701 2.537 4.636 215 H ALA 27 H ALA 27 -15.386 5.711 5.378 216 HA ALA 27 HA ALA 27 -14.172 7.623 7.166 217 HB1 ALA 27 HB1 ALA 27 -16.556 5.811 7.555 218 HB2 ALA 27 HB2 ALA 27 -16.607 7.467 6.954 219 HB3 ALA 27 HB3 ALA 27 -16.091 7.145 8.609 220 H MET 28 H MET 28 -13.379 7.131 9.302 221 HA MET 28 HA MET 28 -11.667 4.873 9.229 222 HB2 MET 28 HB2 MET 28 -10.854 5.573 11.391 223 HB3 MET 28 HB3 MET 28 -11.039 6.972 10.348 224 HG2 MET 28 HG2 MET 28 -13.143 7.518 11.480 225 HG3 MET 28 HG3 MET 28 -12.918 6.130 12.540 226 HE1 MET 28 HE1 MET 28 -13.154 7.661 14.682 227 HE2 MET 28 HE2 MET 28 -13.393 9.083 13.665 228 HE3 MET 28 HE3 MET 28 -12.200 9.118 14.963 229 H SER 29 H SER 29 -14.804 5.398 10.651 230 HA SER 29 HA SER 29 -14.646 3.018 12.290 231 HB2 SER 29 HB2 SER 29 -17.059 4.736 11.664 232 HB3 SER 29 HB3 SER 29 -16.903 3.572 12.980 233 HG SER 29 HG SER 29 -16.531 5.941 13.404 234 H GLU 30 H GLU 30 -14.915 3.439 9.076 235 HA GLU 30 HA GLU 30 -16.660 1.087 8.757 236 HB2 GLU 30 HB2 GLU 30 -17.663 3.371 8.093 237 HB3 GLU 30 HB3 GLU 30 -16.528 3.334 6.757 238 HG2 GLU 30 HG2 GLU 30 -17.540 1.406 5.826 239 HG3 GLU 30 HG3 GLU 30 -18.523 1.150 7.268 240 H LEU 31 H LEU 31 -13.683 1.749 8.830 241 HA LEU 31 HA LEU 31 -12.483 1.621 6.333 242 HB2 LEU 31 HB2 LEU 31 -11.488 2.068 8.662 243 HB3 LEU 31 HB3 LEU 31 -11.352 0.330 8.808 244 HG LEU 31 HG LEU 31 -9.251 1.532 8.134 245 HD11 LEU 31 HD11 LEU 31 -9.487 -0.853 7.756 246 HD12 LEU 31 HD12 LEU 31 -8.599 -0.100 6.432 247 HD13 LEU 31 HD13 LEU 31 -10.292 -0.548 6.217 248 HD21 LEU 31 HD21 LEU 31 -10.728 1.895 5.533 249 HD22 LEU 31 HD22 LEU 31 -9.023 2.244 5.818 250 HD23 LEU 31 HD23 LEU 31 -10.264 3.179 6.650 251 H GLY 32 H GLY 32 -13.411 -1.037 8.507 252 HA2 GLY 32 HA2 GLY 32 -12.182 -3.082 6.984 253 HA3 GLY 32 HA3 GLY 32 -13.418 -3.311 8.211 254 H SER 33 H SER 33 -15.480 -1.820 7.002 255 HA SER 33 HA SER 33 -16.602 -3.897 5.474 256 HB2 SER 33 HB2 SER 33 -17.553 -1.055 5.860 257 HB3 SER 33 HB3 SER 33 -18.526 -2.378 5.212 258 HG SER 33 HG SER 33 -18.066 -3.492 7.234 259 H LEU 34 H LEU 34 -15.089 -0.855 4.517 260 HA LEU 34 HA LEU 34 -16.012 -0.855 1.848 261 HB2 LEU 34 HB2 LEU 34 -13.891 0.556 3.354 262 HB3 LEU 34 HB3 LEU 34 -13.716 0.510 1.611 263 HG LEU 34 HG LEU 34 -14.819 2.564 2.338 264 HD11 LEU 34 HD11 LEU 34 -16.794 2.441 0.892 265 HD12 LEU 34 HD12 LEU 34 -16.653 0.683 0.861 266 HD13 LEU 34 HD13 LEU 34 -15.385 1.682 0.155 267 HD21 LEU 34 HD21 LEU 34 -17.056 2.507 3.315 268 HD22 LEU 34 HD22 LEU 34 -15.871 1.741 4.372 269 HD23 LEU 34 HD23 LEU 34 -16.972 0.748 3.416 270 H PHE 35 H PHE 35 -12.881 -1.905 3.197 271 HA PHE 35 HA PHE 35 -11.896 -2.895 0.733 272 HB2 PHE 35 HB2 PHE 35 -11.110 -3.477 3.590 273 HB3 PHE 35 HB3 PHE 35 -10.254 -4.141 2.202 274 HD1 PHE 35 HD1 PHE 35 -11.077 -1.051 4.024 275 HD2 PHE 35 HD2 PHE 35 -8.763 -2.811 0.919 276 HE1 PHE 35 HE1 PHE 35 -9.705 0.984 3.900 277 HE2 PHE 35 HE2 PHE 35 -7.386 -0.777 0.790 278 HZ PHE 35 HZ PHE 35 -7.855 1.123 2.280 279 H GLU 36 H GLU 36 -13.804 -4.286 3.286 280 HA GLU 36 HA GLU 36 -13.537 -7.002 2.766 281 HB2 GLU 36 HB2 GLU 36 -14.661 -5.947 4.730 282 HB3 GLU 36 HB3 GLU 36 -16.022 -5.556 3.692 283 HG2 GLU 36 HG2 GLU 36 -16.478 -7.897 3.339 284 HG3 GLU 36 HG3 GLU 36 -15.048 -8.341 4.276 285 H ALA 37 H ALA 37 -15.936 -4.710 1.454 286 HA ALA 37 HA ALA 37 -17.002 -6.766 -0.297 287 HB1 ALA 37 HB1 ALA 37 -18.661 -5.119 -0.929 288 HB2 ALA 37 HB2 ALA 37 -17.772 -3.862 -0.068 289 HB3 ALA 37 HB3 ALA 37 -18.512 -5.188 0.827 290 H GLY 38 H GLY 38 -15.074 -3.824 -0.550 291 HA2 GLY 38 HA2 GLY 38 -15.228 -3.473 -3.333 292 HA3 GLY 38 HA3 GLY 38 -13.949 -2.862 -2.299 293 H TYR 39 H TYR 39 -13.106 -5.468 -1.386 294 HA TYR 39 HA TYR 39 -11.109 -6.055 -3.223 295 HB2 TYR 39 HB2 TYR 39 -11.096 -6.678 -0.817 296 HB3 TYR 39 HB3 TYR 39 -12.304 -7.909 -1.149 297 HD1 TYR 39 HD1 TYR 39 -8.821 -6.894 -1.959 298 HD2 TYR 39 HD2 TYR 39 -11.651 -10.068 -1.799 299 HE1 TYR 39 HE1 TYR 39 -7.019 -8.514 -2.383 300 HE2 TYR 39 HE2 TYR 39 -9.859 -11.696 -2.227 301 HH TYR 39 HH TYR 39 -6.550 -10.877 -2.037 302 H HIS 40 H HIS 40 -14.346 -7.382 -2.916 303 HA HIS 40 HA HIS 40 -13.912 -9.591 -4.687 304 HB2 HIS 40 HB2 HIS 40 -16.554 -8.343 -3.912 305 HB3 HIS 40 HB3 HIS 40 -16.300 -9.955 -4.564 306 HD1 HIS 40 HD1 HIS 40 -17.600 -9.011 -1.740 307 HD2 HIS 40 HD2 HIS 40 -13.922 -10.848 -2.388 308 HE1 HIS 40 HE1 HIS 40 -16.994 -10.114 0.441 309 HE2 HIS 40 HE2 HIS 40 -14.863 -11.371 -0.031 310 H ASP 41 H ASP 41 -15.340 -6.374 -5.012 311 HA ASP 41 HA ASP 41 -16.571 -6.939 -7.513 312 HB2 ASP 41 HB2 ASP 41 -17.456 -5.293 -5.889 313 HB3 ASP 41 HB3 ASP 41 -16.073 -4.253 -6.217 314 H ILE 42 H ILE 42 -13.533 -5.408 -6.611 315 HA ILE 42 HA ILE 42 -13.160 -4.147 -9.150 316 HB ILE 42 HB ILE 42 -10.867 -3.665 -8.361 317 HG12 ILE 42 HG12 ILE 42 -11.733 -5.192 -5.894 318 HG13 ILE 42 HG13 ILE 42 -10.506 -5.711 -7.045 319 HG21 ILE 42 HG21 ILE 42 -11.544 -2.193 -6.523 320 HG22 ILE 42 HG22 ILE 42 -13.072 -3.064 -6.395 321 HG23 ILE 42 HG23 ILE 42 -12.695 -2.152 -7.857 322 HD11 ILE 42 HD11 ILE 42 -9.504 -4.788 -5.041 323 HD12 ILE 42 HD12 ILE 42 -10.362 -3.268 -5.294 324 HD13 ILE 42 HD13 ILE 42 -9.132 -3.788 -6.446 325 H LEU 43 H LEU 43 -13.102 -7.332 -8.502 326 HA LEU 43 HA LEU 43 -10.648 -8.109 -9.765 327 HB2 LEU 43 HB2 LEU 43 -11.784 -9.486 -8.063 328 HB3 LEU 43 HB3 LEU 43 -13.119 -9.735 -9.171 329 HG LEU 43 HG LEU 43 -11.579 -10.896 -10.730 330 HD11 LEU 43 HD11 LEU 43 -9.595 -10.622 -8.473 331 HD12 LEU 43 HD12 LEU 43 -9.493 -9.836 -10.049 332 HD13 LEU 43 HD13 LEU 43 -9.377 -11.591 -9.930 333 HD21 LEU 43 HD21 LEU 43 -12.940 -12.156 -9.146 334 HD22 LEU 43 HD22 LEU 43 -11.662 -12.028 -7.936 335 HD23 LEU 43 HD23 LEU 43 -11.384 -12.943 -9.417 336 H GLN 44 H GLN 44 -13.686 -7.088 -10.923 337 HA GLN 44 HA GLN 44 -14.140 -8.702 -13.148 338 HB2 GLN 44 HB2 GLN 44 -14.661 -5.728 -13.087 339 HB3 GLN 44 HB3 GLN 44 -15.522 -6.948 -14.013 340 HG2 GLN 44 HG2 GLN 44 -15.547 -6.630 -11.024 341 HG3 GLN 44 HG3 GLN 44 -16.843 -6.196 -12.135 342 HE21 GLN 44 HE21 GLN 44 -16.806 -8.027 -9.866 343 HE22 GLN 44 HE22 GLN 44 -17.320 -9.565 -10.475 344 H LEU 45 H LEU 45 -12.075 -5.865 -12.825 345 HA LEU 45 HA LEU 45 -11.539 -5.543 -15.586 346 HB2 LEU 45 HB2 LEU 45 -11.288 -3.718 -14.017 347 HB3 LEU 45 HB3 LEU 45 -10.043 -4.584 -13.146 348 HG LEU 45 HG LEU 45 -8.608 -4.446 -15.199 349 HD11 LEU 45 HD11 LEU 45 -10.788 -2.576 -16.125 350 HD12 LEU 45 HD12 LEU 45 -10.379 -4.132 -16.849 351 HD13 LEU 45 HD13 LEU 45 -9.222 -2.802 -16.904 352 HD21 LEU 45 HD21 LEU 45 -8.358 -2.909 -13.313 353 HD22 LEU 45 HD22 LEU 45 -9.564 -1.835 -14.028 354 HD23 LEU 45 HD23 LEU 45 -8.024 -2.105 -14.847 355 H LEU 46 H LEU 46 -9.944 -7.359 -13.027 356 HA LEU 46 HA LEU 46 -7.659 -7.999 -14.663 357 HB2 LEU 46 HB2 LEU 46 -8.572 -8.814 -11.926 358 HB3 LEU 46 HB3 LEU 46 -7.275 -9.686 -12.716 359 HG LEU 46 HG LEU 46 -6.319 -8.065 -11.232 360 HD11 LEU 46 HD11 LEU 46 -6.077 -7.138 -14.087 361 HD12 LEU 46 HD12 LEU 46 -5.139 -8.421 -13.321 362 HD13 LEU 46 HD13 LEU 46 -4.959 -6.752 -12.779 363 HD21 LEU 46 HD21 LEU 46 -7.924 -5.986 -12.712 364 HD22 LEU 46 HD22 LEU 46 -6.717 -5.665 -11.467 365 HD23 LEU 46 HD23 LEU 46 -8.199 -6.529 -11.057 366 H ALA 47 H ALA 47 -10.614 -9.607 -13.618 367 HA ALA 47 HA ALA 47 -10.016 -12.162 -14.676 368 HB1 ALA 47 HB1 ALA 47 -11.764 -11.751 -12.989 369 HB2 ALA 47 HB2 ALA 47 -12.370 -12.640 -14.387 370 HB3 ALA 47 HB3 ALA 47 -12.726 -10.922 -14.214 371 H GLY 48 H GLY 48 -11.263 -9.234 -16.084 372 HA2 GLY 48 HA2 GLY 48 -12.404 -10.287 -18.427 373 HA3 GLY 48 HA3 GLY 48 -11.769 -8.659 -18.245 374 H GLN 49 H GLN 49 -9.081 -9.229 -17.758 375 HA GLN 49 HA GLN 49 -8.229 -10.006 -20.416 376 HB2 GLN 49 HB2 GLN 49 -6.781 -8.847 -18.045 377 HB3 GLN 49 HB3 GLN 49 -5.922 -9.414 -19.471 378 HG2 GLN 49 HG2 GLN 49 -7.302 -7.839 -20.831 379 HG3 GLN 49 HG3 GLN 49 -7.942 -7.189 -19.322 380 HE21 GLN 49 HE21 GLN 49 -7.073 -5.153 -19.823 381 HE22 GLN 49 HE22 GLN 49 -5.373 -4.835 -19.683 382 H GLY 50 H GLY 50 -8.570 -11.457 -17.366 383 HA2 GLY 50 HA2 GLY 50 -8.324 -13.700 -16.845 384 HA3 GLY 50 HA3 GLY 50 -7.568 -13.947 -18.414 385 H LYS 51 H LYS 51 -6.553 -11.629 -15.956 386 HA LYS 51 HA LYS 51 -4.303 -13.355 -15.274 387 HB2 LYS 51 HB2 LYS 51 -2.693 -11.515 -15.484 388 HB3 LYS 51 HB3 LYS 51 -3.407 -11.953 -17.026 389 HG2 LYS 51 HG2 LYS 51 -4.909 -10.024 -16.866 390 HG3 LYS 51 HG3 LYS 51 -4.152 -9.579 -15.334 391 HD2 LYS 51 HD2 LYS 51 -3.175 -8.263 -17.091 392 HD3 LYS 51 HD3 LYS 51 -1.976 -9.420 -16.517 393 HE2 LYS 51 HE2 LYS 51 -2.443 -10.874 -18.410 394 HE3 LYS 51 HE3 LYS 51 -3.692 -9.768 -18.974 395 HZ1 LYS 51 HZ1 LYS 51 -0.779 -9.171 -18.793 396 HZ2 LYS 51 HZ2 LYS 51 -1.970 -8.075 -19.299 397 HZ3 LYS 51 HZ3 LYS 51 -1.659 -9.461 -20.214 398 H SER 52 H SER 52 -3.063 -12.409 -13.395 399 HA SER 52 HA SER 52 -5.007 -11.267 -11.508 400 HB2 SER 52 HB2 SER 52 -3.781 -12.720 -9.790 401 HB3 SER 52 HB3 SER 52 -4.811 -13.568 -10.944 402 HG SER 52 HG SER 52 -3.075 -14.346 -11.969 403 HA PRO 53 HA PRO 53 -2.147 -8.182 -10.053 404 HB2 PRO 53 HB2 PRO 53 -1.716 -9.097 -7.418 405 HB3 PRO 53 HB3 PRO 53 -2.904 -7.905 -7.940 406 HG2 PRO 53 HG2 PRO 53 -3.243 -10.804 -7.390 407 HG3 PRO 53 HG3 PRO 53 -4.391 -9.471 -7.164 408 HD2 PRO 53 HD2 PRO 53 -4.650 -11.208 -9.184 409 HD3 PRO 53 HD3 PRO 53 -5.034 -9.488 -9.395 410 H SER 54 H SER 54 0.013 -7.889 -10.035 411 HA SER 54 HA SER 54 1.665 -10.263 -10.339 412 HB2 SER 54 HB2 SER 54 1.711 -8.290 -11.946 413 HB3 SER 54 HB3 SER 54 2.511 -7.376 -10.670 414 HG SER 54 HG SER 54 4.117 -8.242 -11.908 415 H GLY 55 H GLY 55 0.673 -9.643 -7.717 416 HA2 GLY 55 HA2 GLY 55 2.623 -10.294 -6.037 417 HA3 GLY 55 HA3 GLY 55 2.952 -8.578 -6.251 418 HA PRO 56 HA PRO 56 -0.163 -9.041 -2.827 419 HB2 PRO 56 HB2 PRO 56 1.663 -7.395 -1.267 420 HB3 PRO 56 HB3 PRO 56 1.047 -9.010 -0.911 421 HG2 PRO 56 HG2 PRO 56 3.642 -8.529 -1.542 422 HG3 PRO 56 HG3 PRO 56 2.822 -10.055 -1.927 423 HD2 PRO 56 HD2 PRO 56 3.404 -7.712 -3.702 424 HD3 PRO 56 HD3 PRO 56 3.532 -9.450 -4.052 425 HA PRO 57 HA PRO 57 -1.656 -4.947 -3.646 426 HB2 PRO 57 HB2 PRO 57 -3.571 -5.094 -1.525 427 HB3 PRO 57 HB3 PRO 57 -3.831 -5.404 -3.241 428 HG2 PRO 57 HG2 PRO 57 -3.969 -7.319 -1.251 429 HG3 PRO 57 HG3 PRO 57 -3.701 -7.655 -2.970 430 HD2 PRO 57 HD2 PRO 57 -1.726 -7.533 -0.729 431 HD3 PRO 57 HD3 PRO 57 -1.776 -8.618 -2.137 432 H PHE 58 H PHE 58 -1.507 -2.846 -2.905 433 HA PHE 58 HA PHE 58 -0.723 -2.501 -0.095 434 HB2 PHE 58 HB2 PHE 58 0.800 -0.655 -0.807 435 HB3 PHE 58 HB3 PHE 58 1.309 -2.240 -1.366 436 HD1 PHE 58 HD2 PHE 58 0.913 -2.867 -3.771 437 HD2 PHE 58 HD1 PHE 58 0.401 1.100 -2.313 438 HE1 PHE 58 HE2 PHE 58 1.066 -2.005 -6.070 439 HE2 PHE 58 HE1 PHE 58 0.559 1.967 -4.610 440 HZ PHE 58 HZ PHE 58 0.890 0.415 -6.491 441 H ALA 59 H ALA 59 -2.153 -1.351 0.928 442 HA ALA 59 HA ALA 59 -4.007 0.315 -0.603 443 HB1 ALA 59 HB1 ALA 59 -4.976 -1.380 0.865 444 HB2 ALA 59 HB2 ALA 59 -5.414 0.242 1.397 445 HB3 ALA 59 HB3 ALA 59 -4.159 -0.657 2.251 446 H ARG 60 H ARG 60 -3.465 2.390 -0.780 447 HA ARG 60 HA ARG 60 -1.874 3.599 1.357 448 HB2 ARG 60 HB2 ARG 60 -1.660 5.541 -0.246 449 HB3 ARG 60 HB3 ARG 60 -0.900 4.039 -0.746 450 HG2 ARG 60 HG2 ARG 60 -2.088 3.978 -2.608 451 HG3 ARG 60 HG3 ARG 60 -3.601 4.197 -1.726 452 HD2 ARG 60 HD2 ARG 60 -3.185 5.986 -3.368 453 HD3 ARG 60 HD3 ARG 60 -3.305 6.583 -1.715 454 HE ARG 60 HE ARG 60 -0.774 6.606 -1.767 455 HH11 ARG 60 HH11 ARG 60 -2.725 6.966 -4.665 456 HH12 ARG 60 HH12 ARG 60 -1.540 7.938 -5.487 457 HH21 ARG 60 HH21 ARG 60 0.748 7.933 -2.805 458 HH22 ARG 60 HH22 ARG 60 0.440 8.508 -4.423 459 H TYR 61 H TYR 61 -2.666 4.912 2.793 460 HA TYR 61 HA TYR 61 -5.441 5.825 2.492 461 HB2 TYR 61 HB2 TYR 61 -3.748 5.719 5.004 462 HB3 TYR 61 HB3 TYR 61 -5.475 6.039 4.913 463 HD1 TYR 61 HD1 TYR 61 -2.880 3.450 4.616 464 HD2 TYR 61 HD2 TYR 61 -7.059 4.233 4.723 465 HE1 TYR 61 HE1 TYR 61 -3.313 1.053 4.919 466 HE2 TYR 61 HE2 TYR 61 -7.502 1.831 5.018 467 HH TYR 61 HH TYR 61 -5.028 -0.410 5.788 468 H PHE 62 H PHE 62 -5.649 7.830 1.815 469 HA PHE 62 HA PHE 62 -3.629 9.843 2.258 470 HB2 PHE 62 HB2 PHE 62 -6.204 9.687 0.769 471 HB3 PHE 62 HB3 PHE 62 -5.672 11.279 1.293 472 HD1 PHE 62 HD2 PHE 62 -3.763 8.350 -0.007 473 HD2 PHE 62 HD1 PHE 62 -4.920 12.408 -0.543 474 HE1 PHE 62 HE2 PHE 62 -2.279 8.515 -1.959 475 HE2 PHE 62 HE1 PHE 62 -3.439 12.577 -2.497 476 HZ PHE 62 HZ PHE 62 -2.115 10.628 -3.208 477 H GLY 63 H GLY 63 -3.426 10.631 4.207 478 HA2 GLY 63 HA2 GLY 63 -5.727 11.939 5.428 479 HA3 GLY 63 HA3 GLY 63 -4.903 10.721 6.397 480 H MET 64 H MET 64 -3.328 12.823 4.096 481 HA MET 64 HA MET 64 -1.272 13.551 5.870 482 HB2 MET 64 HB2 MET 64 -2.059 15.109 3.406 483 HB3 MET 64 HB3 MET 64 -0.470 15.004 4.144 484 HG2 MET 64 HG2 MET 64 -0.300 13.655 2.263 485 HG3 MET 64 HG3 MET 64 -0.575 12.507 3.571 486 HE1 MET 64 HE1 MET 64 -2.137 14.403 0.532 487 HE2 MET 64 HE2 MET 64 -3.215 14.891 1.839 488 HE3 MET 64 HE3 MET 64 -3.808 13.836 0.556 489 H SER 65 H SER 65 -4.104 15.312 4.709 490 HA SER 65 HA SER 65 -4.080 16.904 7.158 491 HB2 SER 65 HB2 SER 65 -2.931 18.230 5.358 492 HB3 SER 65 HB3 SER 65 -4.404 18.126 4.395 493 HG SER 65 HG SER 65 -3.948 19.517 6.820 494 H ALA 66 H ALA 66 -5.576 14.639 6.295 495 HA ALA 66 HA ALA 66 -8.259 15.798 5.975 496 HB1 ALA 66 HB1 ALA 66 -7.287 13.235 4.709 497 HB2 ALA 66 HB2 ALA 66 -7.517 14.766 3.863 498 HB3 ALA 66 HB3 ALA 66 -8.903 13.930 4.566 499 H GLY 67 H GLY 67 -9.840 14.953 7.249 500 HA2 GLY 67 HA2 GLY 67 -8.982 13.184 9.401 501 HA3 GLY 67 HA3 GLY 67 -10.515 14.045 9.301 502 H THR 68 H THR 68 -10.864 13.110 6.508 503 HA THR 68 HA THR 68 -11.775 10.391 7.093 504 HB THR 68 HB THR 68 -12.466 12.202 4.759 505 HG1 THR 68 HG1 THR 68 -13.628 11.723 7.289 506 HG21 THR 68 HG21 THR 68 -13.681 9.566 5.613 507 HG22 THR 68 HG22 THR 68 -12.646 9.810 4.207 508 HG23 THR 68 HG23 THR 68 -14.231 10.578 4.278 509 H PHE 69 H PHE 69 -10.868 8.655 6.097 510 HA PHE 69 HA PHE 69 -8.325 9.147 4.843 511 HB2 PHE 69 HB2 PHE 69 -9.729 6.566 5.553 512 HB3 PHE 69 HB3 PHE 69 -8.094 6.668 4.908 513 HD1 PHE 69 HD1 PHE 69 -6.326 7.809 6.248 514 HD2 PHE 69 HD2 PHE 69 -10.168 6.901 7.834 515 HE1 PHE 69 HE1 PHE 69 -5.441 8.063 8.530 516 HE2 PHE 69 HE2 PHE 69 -9.292 7.151 10.116 517 HZ PHE 69 HZ PHE 69 -6.924 7.734 10.468 518 H GLU 70 H GLU 70 -8.073 9.420 2.754 519 HA GLU 70 HA GLU 70 -10.010 8.248 0.901 520 HB2 GLU 70 HB2 GLU 70 -9.197 10.615 0.637 521 HB3 GLU 70 HB3 GLU 70 -7.601 9.970 0.284 522 HG2 GLU 70 HG2 GLU 70 -8.352 8.965 -1.722 523 HG3 GLU 70 HG3 GLU 70 -10.042 9.260 -1.312 524 H VAL 71 H VAL 71 -9.656 6.154 0.436 525 HA VAL 71 HA VAL 71 -6.901 5.173 0.730 526 HB VAL 71 HB VAL 71 -7.755 3.073 1.404 527 HG11 VAL 71 HG11 VAL 71 -7.834 4.736 3.148 528 HG12 VAL 71 HG12 VAL 71 -9.199 3.633 3.321 529 HG13 VAL 71 HG13 VAL 71 -9.445 5.240 2.635 530 HG21 VAL 71 HG21 VAL 71 -10.528 4.000 0.669 531 HG22 VAL 71 HG22 VAL 71 -10.102 2.444 1.383 532 HG23 VAL 71 HG23 VAL 71 -9.556 2.848 -0.246 533 H GLU 72 H GLU 72 -5.942 3.983 -0.822 534 HA GLU 72 HA GLU 72 -7.566 3.230 -3.155 535 HB2 GLU 72 HB2 GLU 72 -4.686 4.156 -3.165 536 HB3 GLU 72 HB3 GLU 72 -5.543 3.515 -4.561 537 HG2 GLU 72 HG2 GLU 72 -7.199 5.390 -4.254 538 HG3 GLU 72 HG3 GLU 72 -6.073 6.077 -3.084 539 H PHE 73 H PHE 73 -7.654 1.159 -3.496 540 HA PHE 73 HA PHE 73 -6.540 -0.739 -1.795 541 HB2 PHE 73 HB2 PHE 73 -7.784 -1.003 -4.530 542 HB3 PHE 73 HB3 PHE 73 -7.267 -2.398 -3.591 543 HD1 PHE 73 HD1 PHE 73 -9.410 0.643 -3.304 544 HD2 PHE 73 HD2 PHE 73 -8.763 -3.406 -2.162 545 HE1 PHE 73 HE1 PHE 73 -11.572 0.633 -2.134 546 HE2 PHE 73 HE2 PHE 73 -10.924 -3.422 -0.985 547 HZ PHE 73 HZ PHE 73 -12.333 -1.401 -0.972 548 H GLY 74 H GLY 74 -5.450 0.342 -4.972 549 HA2 GLY 74 HA2 GLY 74 -3.419 0.195 -6.011 550 HA3 GLY 74 HA3 GLY 74 -2.756 0.103 -4.392 551 H PHE 75 H PHE 75 -3.966 -1.799 -7.109 552 HA PHE 75 HA PHE 75 -2.526 -4.114 -5.984 553 HB2 PHE 75 HB2 PHE 75 -4.791 -3.919 -7.963 554 HB3 PHE 75 HB3 PHE 75 -3.806 -5.371 -7.839 555 HD1 PHE 75 HD2 PHE 75 -5.936 -3.096 -5.812 556 HD2 PHE 75 HD1 PHE 75 -4.332 -7.008 -6.291 557 HE1 PHE 75 HE2 PHE 75 -7.355 -3.901 -3.972 558 HE2 PHE 75 HE1 PHE 75 -5.754 -7.818 -4.454 559 HZ PHE 75 HZ PHE 75 -7.267 -6.264 -3.292 560 HA PRO 76 HA PRO 76 0.420 -3.558 -9.278 561 HB2 PRO 76 HB2 PRO 76 1.470 -6.188 -8.735 562 HB3 PRO 76 HB3 PRO 76 2.162 -4.627 -8.302 563 HG2 PRO 76 HG2 PRO 76 1.186 -6.422 -6.480 564 HG3 PRO 76 HG3 PRO 76 1.272 -4.674 -6.203 565 HD2 PRO 76 HD2 PRO 76 -1.070 -6.353 -7.011 566 HD3 PRO 76 HD3 PRO 76 -1.000 -4.991 -5.871 567 H VAL 77 H VAL 77 0.584 -4.153 -11.405 568 HA VAL 77 HA VAL 77 -1.069 -6.461 -12.200 569 HB VAL 77 HB VAL 77 -1.637 -5.259 -14.279 570 HG11 VAL 77 HG11 VAL 77 -3.272 -3.747 -13.286 571 HG12 VAL 77 HG12 VAL 77 -2.388 -3.783 -11.759 572 HG13 VAL 77 HG13 VAL 77 -3.160 -5.250 -12.365 573 HG21 VAL 77 HG21 VAL 77 -0.324 -2.891 -12.941 574 HG22 VAL 77 HG22 VAL 77 -1.244 -2.847 -14.444 575 HG23 VAL 77 HG23 VAL 77 0.278 -3.734 -14.370 576 H GLU 78 H GLU 78 -0.475 -7.572 -14.079 577 HA GLU 78 HA GLU 78 2.311 -7.966 -14.410 578 HB2 GLU 78 HB2 GLU 78 0.606 -9.739 -14.674 579 HB3 GLU 78 HB3 GLU 78 -0.025 -8.920 -16.091 580 HG2 GLU 78 HG2 GLU 78 2.816 -9.853 -15.977 581 HG3 GLU 78 HG3 GLU 78 1.503 -10.944 -16.410 582 H GLY 79 H GLY 79 -0.182 -6.699 -16.615 583 HA2 GLY 79 HA2 GLY 79 1.058 -4.458 -17.520 584 HA3 GLY 79 HA3 GLY 79 1.771 -5.741 -18.489 585 H GLY 80 H GLY 80 0.196 -3.602 -19.499 586 HA2 GLY 80 HA2 GLY 80 -1.303 -3.439 -21.245 587 HA3 GLY 80 HA3 GLY 80 -1.613 -5.161 -21.095 588 H VAL 81 H VAL 81 -1.988 -3.737 -18.113 589 HA VAL 81 HA VAL 81 -4.875 -3.968 -18.350 590 HB VAL 81 HB VAL 81 -3.385 -3.247 -15.842 591 HG11 VAL 81 HG11 VAL 81 -6.009 -4.645 -16.304 592 HG12 VAL 81 HG12 VAL 81 -5.796 -2.976 -15.780 593 HG13 VAL 81 HG13 VAL 81 -5.287 -4.300 -14.732 594 HG21 VAL 81 HG21 VAL 81 -2.334 -5.257 -16.720 595 HG22 VAL 81 HG22 VAL 81 -3.911 -6.022 -16.897 596 HG23 VAL 81 HG23 VAL 81 -3.294 -5.638 -15.291 597 H GLU 82 H GLU 82 -6.304 -2.326 -17.843 598 HA GLU 82 HA GLU 82 -5.201 0.391 -17.933 599 HB2 GLU 82 HB2 GLU 82 -6.835 -0.969 -19.921 600 HB3 GLU 82 HB3 GLU 82 -7.561 0.535 -19.377 601 HG2 GLU 82 HG2 GLU 82 -4.743 0.277 -20.398 602 HG3 GLU 82 HG3 GLU 82 -6.125 0.779 -21.376 603 H GLY 83 H GLY 83 -6.342 1.955 -16.857 604 HA2 GLY 83 HA2 GLY 83 -8.121 0.999 -14.809 605 HA3 GLY 83 HA3 GLY 83 -7.571 2.652 -15.028 606 H SER 84 H SER 84 -10.223 1.766 -14.393 607 HA SER 84 HA SER 84 -11.717 2.207 -16.875 608 HB2 SER 84 HB2 SER 84 -12.691 1.258 -14.169 609 HB3 SER 84 HB3 SER 84 -13.632 1.295 -15.660 610 HG SER 84 HG SER 84 -11.633 -0.054 -16.396 611 H GLY 85 H GLY 85 -10.377 4.230 -14.875 612 HA2 GLY 85 HA2 GLY 85 -10.928 6.538 -14.787 613 HA3 GLY 85 HA3 GLY 85 -12.622 6.117 -14.997 614 H ARG 86 H ARG 86 -13.241 4.434 -13.073 615 HA ARG 86 HA ARG 86 -13.103 5.804 -10.605 616 HB2 ARG 86 HB2 ARG 86 -14.519 3.648 -11.626 617 HB3 ARG 86 HB3 ARG 86 -13.494 2.908 -10.409 618 HG2 ARG 86 HG2 ARG 86 -15.310 5.248 -9.892 619 HG3 ARG 86 HG3 ARG 86 -15.740 3.565 -9.590 620 HD2 ARG 86 HD2 ARG 86 -13.771 3.417 -8.064 621 HD3 ARG 86 HD3 ARG 86 -13.533 5.151 -8.283 622 HE ARG 86 HE ARG 86 -16.114 4.985 -7.495 623 HH11 ARG 86 HH11 ARG 86 -13.118 3.780 -6.163 624 HH12 ARG 86 HH12 ARG 86 -13.697 3.739 -4.533 625 HH21 ARG 86 HH21 ARG 86 -16.898 4.942 -5.367 626 HH22 ARG 86 HH22 ARG 86 -15.869 4.412 -4.066 627 H VAL 87 H VAL 87 -11.199 3.376 -12.170 628 HA VAL 87 HA VAL 87 -9.212 3.516 -10.010 629 HB VAL 87 HB VAL 87 -10.119 1.252 -10.171 630 HG11 VAL 87 HG11 VAL 87 -9.243 1.285 -13.047 631 HG12 VAL 87 HG12 VAL 87 -10.908 1.314 -12.469 632 HG13 VAL 87 HG13 VAL 87 -9.897 -0.102 -12.175 633 HG21 VAL 87 HG21 VAL 87 -8.052 0.000 -10.557 634 HG22 VAL 87 HG22 VAL 87 -7.763 1.464 -9.618 635 HG23 VAL 87 HG23 VAL 87 -7.343 1.419 -11.331 636 H VAL 88 H VAL 88 -7.200 4.176 -10.589 637 HA VAL 88 HA VAL 88 -6.723 4.671 -13.461 638 HB VAL 88 HB VAL 88 -5.137 6.432 -12.777 639 HG11 VAL 88 HG11 VAL 88 -7.427 7.057 -13.287 640 HG12 VAL 88 HG12 VAL 88 -6.794 8.071 -11.991 641 HG13 VAL 88 HG13 VAL 88 -7.904 6.754 -11.616 642 HG21 VAL 88 HG21 VAL 88 -5.093 7.218 -10.447 643 HG22 VAL 88 HG22 VAL 88 -4.487 5.568 -10.596 644 HG23 VAL 88 HG23 VAL 88 -6.113 5.858 -9.977 645 H THR 89 H THR 89 -4.215 4.766 -13.885 646 HA THR 89 HA THR 89 -3.054 2.446 -12.494 647 HB THR 89 HB THR 89 -3.731 1.896 -14.812 648 HG1 THR 89 HG1 THR 89 -1.765 1.020 -13.681 649 HG21 THR 89 HG21 THR 89 -2.461 2.811 -16.698 650 HG22 THR 89 HG22 THR 89 -1.625 3.907 -15.599 651 HG23 THR 89 HG23 THR 89 -3.361 4.075 -15.860 652 H GLY 90 H GLY 90 -0.635 2.318 -13.057 653 HA2 GLY 90 HA2 GLY 90 1.062 4.334 -13.632 654 HA3 GLY 90 HA3 GLY 90 0.570 4.714 -11.984 655 H LEU 91 H LEU 91 2.589 4.327 -11.088 656 HA LEU 91 HA LEU 91 3.060 1.575 -10.446 657 HB2 LEU 91 HB2 LEU 91 5.493 1.682 -11.170 658 HB3 LEU 91 HB3 LEU 91 4.301 1.435 -12.424 659 HG LEU 91 HG LEU 91 4.477 3.926 -12.909 660 HD11 LEU 91 HD11 LEU 91 6.942 3.643 -11.198 661 HD12 LEU 91 HD12 LEU 91 5.536 4.650 -10.849 662 HD13 LEU 91 HD13 LEU 91 6.564 5.019 -12.236 663 HD21 LEU 91 HD21 LEU 91 6.884 2.166 -13.317 664 HD22 LEU 91 HD22 LEU 91 6.528 3.638 -14.221 665 HD23 LEU 91 HD23 LEU 91 5.454 2.245 -14.347 666 H THR 92 H THR 92 4.727 1.327 -8.792 667 HA THR 92 HA THR 92 4.982 3.629 -7.073 668 HB THR 92 HB THR 92 6.389 0.956 -6.819 669 HG1 THR 92 HG1 THR 92 3.760 1.446 -6.790 670 HG21 THR 92 HG21 THR 92 7.194 2.679 -5.292 671 HG22 THR 92 HG22 THR 92 6.294 1.447 -4.407 672 HG23 THR 92 HG23 THR 92 5.544 3.004 -4.762 673 HA PRO 93 HA PRO 93 8.805 4.913 -8.967 674 HB2 PRO 93 HB2 PRO 93 9.671 6.659 -7.108 675 HB3 PRO 93 HB3 PRO 93 8.291 7.007 -8.155 676 HG2 PRO 93 HG2 PRO 93 8.326 6.065 -5.315 677 HG3 PRO 93 HG3 PRO 93 7.290 7.285 -6.079 678 HD2 PRO 93 HD2 PRO 93 6.495 4.714 -5.595 679 HD3 PRO 93 HD3 PRO 93 5.841 5.713 -6.908 680 H SER 94 H SER 94 10.962 4.383 -8.908 681 HA SER 94 HA SER 94 11.778 2.528 -6.869 682 HB2 SER 94 HB2 SER 94 13.958 2.522 -8.150 683 HB3 SER 94 HB3 SER 94 12.543 2.035 -9.079 684 HG SER 94 HG SER 94 12.655 4.594 -9.428 685 H GLY 95 H GLY 95 13.018 2.904 -5.169 686 HA2 GLY 95 HA2 GLY 95 14.884 4.762 -4.587 687 HA3 GLY 95 HA3 GLY 95 13.379 5.655 -4.381 688 H LYS 96 H LYS 96 13.414 5.863 -2.150 689 HA LYS 96 HA LYS 96 12.988 3.343 -0.716 690 HB2 LYS 96 HB2 LYS 96 14.781 5.579 0.244 691 HB3 LYS 96 HB3 LYS 96 14.276 4.216 1.224 692 HG2 LYS 96 HG2 LYS 96 16.377 3.580 0.562 693 HG3 LYS 96 HG3 LYS 96 15.368 2.794 -0.655 694 HD2 LYS 96 HD2 LYS 96 15.837 4.511 -2.250 695 HD3 LYS 96 HD3 LYS 96 16.648 5.490 -1.027 696 HE2 LYS 96 HE2 LYS 96 18.369 3.758 -0.800 697 HE3 LYS 96 HE3 LYS 96 17.564 2.804 -2.046 698 HZ1 LYS 96 HZ1 LYS 96 18.772 5.497 -2.402 699 HZ2 LYS 96 HZ2 LYS 96 17.958 4.627 -3.609 700 HZ3 LYS 96 HZ3 LYS 96 19.411 4.032 -2.964 701 H ALA 97 H ALA 97 11.898 3.586 1.311 702 HA ALA 97 HA ALA 97 10.567 6.105 1.877 703 HB1 ALA 97 HB1 ALA 97 9.116 5.064 0.182 704 HB2 ALA 97 HB2 ALA 97 8.319 5.207 1.750 705 HB3 ALA 97 HB3 ALA 97 8.948 3.646 1.218 706 H ALA 98 H ALA 98 9.519 6.109 3.945 707 HA ALA 98 HA ALA 98 10.912 4.458 5.846 708 HB1 ALA 98 HB1 ALA 98 9.790 5.833 7.537 709 HB2 ALA 98 HB2 ALA 98 8.813 6.588 6.276 710 HB3 ALA 98 HB3 ALA 98 10.561 6.830 6.302 711 H SER 99 H SER 99 10.232 2.502 6.419 712 HA SER 99 HA SER 99 7.373 2.004 6.684 713 HB2 SER 99 HB2 SER 99 7.922 -0.253 5.406 714 HB3 SER 99 HB3 SER 99 7.469 1.210 4.529 715 HG SER 99 HG SER 99 9.776 1.623 4.358 716 H SER 100 H SER 100 6.843 0.212 7.959 717 HA SER 100 HA SER 100 9.011 -1.295 9.196 718 HB2 SER 100 HB2 SER 100 8.583 0.702 10.662 719 HB3 SER 100 HB3 SER 100 6.925 0.137 10.869 720 HG SER 100 HG SER 100 9.277 -0.799 11.986 721 H LEU 101 H LEU 101 7.914 -2.973 10.769 722 HA LEU 101 HA LEU 101 5.762 -4.185 9.182 723 HB2 LEU 101 HB2 LEU 101 7.793 -5.427 11.032 724 HB3 LEU 101 HB3 LEU 101 6.436 -6.310 10.366 725 HG LEU 101 HG LEU 101 7.388 -5.626 8.062 726 HD11 LEU 101 HD11 LEU 101 9.839 -5.231 9.770 727 HD12 LEU 101 HD12 LEU 101 8.987 -3.972 8.880 728 HD13 LEU 101 HD13 LEU 101 9.798 -5.272 8.007 729 HD21 LEU 101 HD21 LEU 101 8.847 -7.591 9.824 730 HD22 LEU 101 HD22 LEU 101 8.877 -7.566 8.060 731 HD23 LEU 101 HD23 LEU 101 7.370 -7.904 8.910 732 H TYR 102 H TYR 102 3.844 -3.798 9.973 733 HA TYR 102 HA TYR 102 3.358 -3.497 12.810 734 HB2 TYR 102 HB2 TYR 102 2.118 -2.127 11.184 735 HB3 TYR 102 HB3 TYR 102 1.466 -3.580 10.440 736 HD1 TYR 102 HD1 TYR 102 1.541 -1.736 13.675 737 HD2 TYR 102 HD2 TYR 102 -0.579 -4.421 11.150 738 HE1 TYR 102 HE1 TYR 102 -0.393 -1.621 15.186 739 HE2 TYR 102 HE2 TYR 102 -2.518 -4.313 12.654 740 HH TYR 102 HH TYR 102 -2.920 -3.794 15.104 741 H ILE 103 H ILE 103 3.234 -5.247 14.076 742 HA ILE 103 HA ILE 103 2.223 -7.744 12.863 743 HB ILE 103 HB ILE 103 4.404 -7.533 14.948 744 HG12 ILE 103 HG12 ILE 103 4.586 -8.251 12.010 745 HG13 ILE 103 HG13 ILE 103 5.145 -6.744 12.726 746 HG21 ILE 103 HG21 ILE 103 3.106 -9.563 15.184 747 HG22 ILE 103 HG22 ILE 103 4.691 -9.947 14.511 748 HG23 ILE 103 HG23 ILE 103 3.273 -9.904 13.462 749 HD11 ILE 103 HD11 ILE 103 6.792 -7.971 14.035 750 HD12 ILE 103 HD12 ILE 103 6.988 -8.263 12.307 751 HD13 ILE 103 HD13 ILE 103 6.230 -9.486 13.328 752 H GLY 104 H GLY 104 0.419 -8.426 13.784 753 HA2 GLY 104 HA2 GLY 104 -0.227 -9.271 16.156 754 HA3 GLY 104 HA3 GLY 104 -0.208 -7.549 16.519 755 HA PRO 105 HA PRO 105 -4.506 -8.356 15.059 756 HB2 PRO 105 HB2 PRO 105 -5.694 -6.856 16.980 757 HB3 PRO 105 HB3 PRO 105 -5.293 -8.560 17.226 758 HG2 PRO 105 HG2 PRO 105 -3.831 -6.117 18.135 759 HG3 PRO 105 HG3 PRO 105 -4.143 -7.626 19.012 760 HD2 PRO 105 HD2 PRO 105 -1.762 -7.061 17.811 761 HD3 PRO 105 HD3 PRO 105 -2.378 -8.712 18.016 762 H TYR 106 H TYR 106 -5.876 -6.760 14.037 763 HA TYR 106 HA TYR 106 -4.305 -4.384 13.361 764 HB2 TYR 106 HB2 TYR 106 -5.159 -5.851 11.533 765 HB3 TYR 106 HB3 TYR 106 -6.802 -5.441 12.016 766 HD1 TYR 106 HD1 TYR 106 -3.610 -3.717 11.119 767 HD2 TYR 106 HD2 TYR 106 -7.857 -3.744 10.847 768 HE1 TYR 106 HE1 TYR 106 -3.524 -1.730 9.678 769 HE2 TYR 106 HE2 TYR 106 -7.779 -1.756 9.403 770 HH TYR 106 HH TYR 106 -4.877 -0.603 8.004 771 H GLY 107 H GLY 107 -4.882 -2.379 13.835 772 HA2 GLY 107 HA2 GLY 107 -7.161 -1.073 14.145 773 HA3 GLY 107 HA3 GLY 107 -7.151 -2.014 15.632 774 H GLU 108 H GLU 108 -4.460 -1.963 16.256 775 HA GLU 108 HA GLU 108 -4.237 0.777 17.213 776 HB2 GLU 108 HB2 GLU 108 -2.622 -1.686 17.902 777 HB3 GLU 108 HB3 GLU 108 -2.501 -0.127 18.706 778 HG2 GLU 108 HG2 GLU 108 -4.849 -0.343 19.414 779 HG3 GLU 108 HG3 GLU 108 -4.907 -1.937 18.665 780 H ILE 109 H ILE 109 -3.767 0.465 14.474 781 HA ILE 109 HA ILE 109 -0.958 0.248 13.960 782 HB ILE 109 HB ILE 109 -2.627 -0.371 12.253 783 HG12 ILE 109 HG12 ILE 109 -0.842 1.916 11.392 784 HG13 ILE 109 HG13 ILE 109 -0.309 0.256 11.634 785 HG21 ILE 109 HG21 ILE 109 -4.298 1.343 12.675 786 HG22 ILE 109 HG22 ILE 109 -3.799 1.373 10.985 787 HG23 ILE 109 HG23 ILE 109 -3.188 2.591 12.104 788 HD11 ILE 109 HD11 ILE 109 -1.807 -0.464 9.835 789 HD12 ILE 109 HD12 ILE 109 -0.618 0.719 9.290 790 HD13 ILE 109 HD13 ILE 109 -2.285 1.214 9.583 791 H GLU 110 H GLU 110 -3.027 2.763 15.011 792 HA GLU 110 HA GLU 110 -1.423 4.913 14.033 793 HB2 GLU 110 HB2 GLU 110 -2.691 6.176 15.949 794 HB3 GLU 110 HB3 GLU 110 -3.532 5.687 14.487 795 HG2 GLU 110 HG2 GLU 110 -4.907 5.230 16.396 796 HG3 GLU 110 HG3 GLU 110 -4.390 3.706 15.680 797 H ALA 111 H ALA 111 -1.258 2.770 16.716 798 HA ALA 111 HA ALA 111 0.483 4.248 18.370 799 HB1 ALA 111 HB1 ALA 111 0.234 1.258 18.073 800 HB2 ALA 111 HB2 ALA 111 -0.726 2.274 19.148 801 HB3 ALA 111 HB3 ALA 111 1.009 2.104 19.412 802 H VAL 112 H VAL 112 1.111 1.891 15.775 803 HA VAL 112 HA VAL 112 3.953 2.217 15.978 804 HB VAL 112 HB VAL 112 2.988 0.109 15.135 805 HG11 VAL 112 HG11 VAL 112 2.167 1.744 12.744 806 HG12 VAL 112 HG12 VAL 112 1.094 0.946 13.897 807 HG13 VAL 112 HG13 VAL 112 2.125 -0.017 12.839 808 HG21 VAL 112 HG21 VAL 112 4.501 -0.214 13.243 809 HG22 VAL 112 HG22 VAL 112 5.279 0.681 14.550 810 HG23 VAL 112 HG23 VAL 112 4.709 1.533 13.113 811 H TYR 113 H TYR 113 1.358 3.699 14.184 812 HA TYR 113 HA TYR 113 2.919 5.028 12.239 813 HB2 TYR 113 HB2 TYR 113 0.436 4.743 12.140 814 HB3 TYR 113 HB3 TYR 113 0.289 5.934 13.428 815 HD1 TYR 113 HD2 TYR 113 1.340 5.444 9.918 816 HD2 TYR 113 HD1 TYR 113 0.407 8.261 12.965 817 HE1 TYR 113 HE2 TYR 113 1.329 7.242 8.241 818 HE2 TYR 113 HE1 TYR 113 0.394 10.069 11.298 819 HH TYR 113 HH TYR 113 0.362 9.499 7.958 820 H ASP 114 H ASP 114 1.958 5.836 15.532 821 HA ASP 114 HA ASP 114 2.902 8.463 15.672 822 HB2 ASP 114 HB2 ASP 114 1.600 7.117 17.432 823 HB3 ASP 114 HB3 ASP 114 3.154 6.455 17.918 824 H ALA 115 H ALA 115 4.572 5.386 16.227 825 HA ALA 115 HA ALA 115 7.110 6.490 16.800 826 HB1 ALA 115 HB1 ALA 115 6.453 4.197 17.401 827 HB2 ALA 115 HB2 ALA 115 7.967 4.247 16.499 828 HB3 ALA 115 HB3 ALA 115 6.476 3.759 15.692 829 H LEU 116 H LEU 116 5.560 5.491 13.793 830 HA LEU 116 HA LEU 116 7.771 5.670 12.081 831 HB2 LEU 116 HB2 LEU 116 4.848 6.210 11.545 832 HB3 LEU 116 HB3 LEU 116 6.069 6.104 10.293 833 HG LEU 116 HG LEU 116 5.350 3.855 12.174 834 HD11 LEU 116 HD11 LEU 116 3.505 4.403 10.659 835 HD12 LEU 116 HD12 LEU 116 4.235 2.850 10.254 836 HD13 LEU 116 HD13 LEU 116 4.599 4.276 9.282 837 HD21 LEU 116 HD21 LEU 116 6.677 2.483 10.652 838 HD22 LEU 116 HD22 LEU 116 7.656 3.775 11.347 839 HD23 LEU 116 HD23 LEU 116 7.065 3.910 9.692 840 H MET 117 H MET 117 5.512 8.124 13.217 841 HA MET 117 HA MET 117 6.607 10.271 11.686 842 HB2 MET 117 HB2 MET 117 4.339 10.410 12.519 843 HB3 MET 117 HB3 MET 117 4.891 10.217 14.177 844 HG2 MET 117 HG2 MET 117 6.084 12.381 13.974 845 HG3 MET 117 HG3 MET 117 5.377 12.575 12.371 846 HE1 MET 117 HE1 MET 117 2.898 12.390 16.264 847 HE2 MET 117 HE2 MET 117 4.658 12.298 16.225 848 HE3 MET 117 HE3 MET 117 3.692 10.984 15.550 849 H LYS 118 H LYS 118 7.293 8.805 14.739 850 HA LYS 118 HA LYS 118 8.780 10.931 15.880 851 HB2 LYS 118 HB2 LYS 118 7.744 9.316 17.293 852 HB3 LYS 118 HB3 LYS 118 8.557 7.988 16.487 853 HG2 LYS 118 HG2 LYS 118 10.574 8.413 17.555 854 HG3 LYS 118 HG3 LYS 118 10.119 10.072 17.965 855 HD2 LYS 118 HD2 LYS 118 8.598 9.353 19.618 856 HD3 LYS 118 HD3 LYS 118 8.636 7.690 19.040 857 HE2 LYS 118 HE2 LYS 118 11.128 8.975 20.073 858 HE3 LYS 118 HE3 LYS 118 9.924 8.346 21.199 859 HZ1 LYS 118 HZ1 LYS 118 10.078 6.201 20.004 860 HZ2 LYS 118 HZ2 LYS 118 11.509 6.649 20.780 861 HZ3 LYS 118 HZ3 LYS 118 11.370 6.833 19.097 862 H TRP 119 H TRP 119 9.760 7.946 14.184 863 HA TRP 119 HA TRP 119 12.536 8.425 14.660 864 HB2 TRP 119 HB2 TRP 119 12.937 6.398 13.627 865 HB3 TRP 119 HB3 TRP 119 11.277 6.179 14.160 866 HD1 TRP 119 HD1 TRP 119 9.412 5.928 12.267 867 HE1 TRP 119 HE1 TRP 119 9.572 5.530 9.727 868 HE3 TRP 119 HE3 TRP 119 14.310 7.041 11.542 869 HZ2 TRP 119 HZ2 TRP 119 11.524 5.634 7.700 870 HZ3 TRP 119 HZ3 TRP 119 15.279 6.848 9.293 871 HH2 TRP 119 HH2 TRP 119 13.900 6.166 7.403 872 H VAL 120 H VAL 120 10.330 9.223 12.071 873 HA VAL 120 HA VAL 120 12.352 9.664 10.116 874 HB VAL 120 HB VAL 120 10.077 9.103 9.486 875 HG11 VAL 120 HG11 VAL 120 8.915 10.285 11.248 876 HG12 VAL 120 HG12 VAL 120 8.274 10.699 9.656 877 HG13 VAL 120 HG13 VAL 120 9.341 11.823 10.499 878 HG21 VAL 120 HG21 VAL 120 11.463 10.254 7.853 879 HG22 VAL 120 HG22 VAL 120 10.932 11.813 8.482 880 HG23 VAL 120 HG23 VAL 120 9.778 10.744 7.683 881 H ASP 121 H ASP 121 10.625 11.704 12.368 882 HA ASP 121 HA ASP 121 11.691 14.182 11.535 883 HB2 ASP 121 HB2 ASP 121 9.810 14.066 13.093 884 HB3 ASP 121 HB3 ASP 121 10.828 13.286 14.299 885 H ASP 122 H ASP 122 12.955 11.576 13.459 886 HA ASP 122 HA ASP 122 15.172 13.003 14.533 887 HB2 ASP 122 HB2 ASP 122 14.410 11.039 15.692 888 HB3 ASP 122 HB3 ASP 122 14.645 10.042 14.258 889 H ASN 123 H ASN 123 14.813 10.781 11.758 890 HA ASN 123 HA ASN 123 17.595 10.907 11.133 891 HB2 ASN 123 HB2 ASN 123 17.154 9.602 9.206 892 HB3 ASN 123 HB3 ASN 123 16.067 9.012 10.455 893 HD21 ASN 123 HD21 ASN 123 13.908 9.045 10.085 894 HD22 ASN 123 HD22 ASN 123 13.188 9.651 8.635 895 H GLY 124 H GLY 124 14.891 12.903 10.396 896 HA2 GLY 124 HA2 GLY 124 15.121 15.148 9.759 897 HA3 GLY 124 HA3 GLY 124 16.737 14.797 9.173 898 H PHE 125 H PHE 125 13.580 13.357 8.383 899 HA PHE 125 HA PHE 125 13.886 14.438 5.666 900 HB2 PHE 125 HB2 PHE 125 13.410 11.674 6.533 901 HB3 PHE 125 HB3 PHE 125 12.284 12.240 5.309 902 HD1 PHE 125 HD1 PHE 125 15.828 11.576 6.057 903 HD2 PHE 125 HD2 PHE 125 12.994 12.636 3.066 904 HE1 PHE 125 HE1 PHE 125 17.516 11.165 4.316 905 HE2 PHE 125 HE2 PHE 125 14.676 12.223 1.320 906 HZ PHE 125 HZ PHE 125 16.940 11.489 1.945 907 H ASP 126 H ASP 126 11.734 14.496 4.502 908 HA ASP 126 HA ASP 126 9.755 15.607 6.365 909 HB2 ASP 126 HB2 ASP 126 8.907 16.888 4.460 910 HB3 ASP 126 HB3 ASP 126 10.630 17.181 4.682 911 H LEU 127 H LEU 127 7.527 15.214 5.980 912 HA LEU 127 HA LEU 127 7.073 12.552 4.832 913 HB2 LEU 127 HB2 LEU 127 5.531 14.105 6.911 914 HB3 LEU 127 HB3 LEU 127 4.957 12.609 6.206 915 HG LEU 127 HG LEU 127 5.868 12.055 8.315 916 HD11 LEU 127 HD11 LEU 127 7.896 11.390 6.189 917 HD12 LEU 127 HD12 LEU 127 6.432 10.482 6.565 918 HD13 LEU 127 HD13 LEU 127 7.738 10.575 7.747 919 HD21 LEU 127 HD21 LEU 127 7.149 14.058 8.751 920 HD22 LEU 127 HD22 LEU 127 8.328 13.607 7.518 921 HD23 LEU 127 HD23 LEU 127 8.166 12.636 8.982 922 H SER 128 H SER 128 5.657 12.251 3.206 923 HA SER 128 HA SER 128 4.353 14.510 2.002 924 HB2 SER 128 HB2 SER 128 5.245 12.451 0.772 925 HB3 SER 128 HB3 SER 128 3.828 11.599 1.385 926 HG SER 128 HG SER 128 4.042 13.326 -0.688 927 H GLY 129 H GLY 129 3.496 11.819 4.083 928 HA2 GLY 129 HA2 GLY 129 1.916 12.362 5.853 929 HA3 GLY 129 HA3 GLY 129 0.973 13.226 4.654 930 H GLU 130 H GLU 130 1.511 10.877 2.733 931 HA GLU 130 HA GLU 130 -0.893 9.472 3.481 932 HB2 GLU 130 HB2 GLU 130 -0.745 8.365 1.355 933 HB3 GLU 130 HB3 GLU 130 -0.358 10.062 1.108 934 HG2 GLU 130 HG2 GLU 130 1.933 9.607 0.836 935 HG3 GLU 130 HG3 GLU 130 1.764 7.971 1.473 936 H ALA 131 H ALA 131 -1.080 7.263 3.924 937 HA ALA 131 HA ALA 131 1.453 5.881 4.546 938 HB1 ALA 131 HB1 ALA 131 -1.040 5.825 6.253 939 HB2 ALA 131 HB2 ALA 131 0.444 6.702 6.631 940 HB3 ALA 131 HB3 ALA 131 0.455 4.939 6.560 941 H TYR 132 H TYR 132 1.602 4.055 3.399 942 HA TYR 132 HA TYR 132 -0.919 2.767 2.591 943 HB2 TYR 132 HB2 TYR 132 0.465 1.869 0.626 944 HB3 TYR 132 HB3 TYR 132 -0.019 3.557 0.583 945 HD1 TYR 132 HD2 TYR 132 1.662 5.331 1.022 946 HD2 TYR 132 HD1 TYR 132 2.760 1.234 0.678 947 HE1 TYR 132 HE2 TYR 132 4.002 5.993 0.665 948 HE2 TYR 132 HE1 TYR 132 5.100 1.889 0.315 949 HH TYR 132 HH TYR 132 6.203 5.130 0.797 950 H GLU 133 H GLU 133 -1.248 0.746 3.113 951 HA GLU 133 HA GLU 133 0.848 -0.710 4.541 952 HB2 GLU 133 HB2 GLU 133 -2.105 -1.269 4.210 953 HB3 GLU 133 HB3 GLU 133 -1.002 -2.267 5.140 954 HG2 GLU 133 HG2 GLU 133 -0.554 -0.265 6.575 955 HG3 GLU 133 HG3 GLU 133 -1.868 0.548 5.721 956 H ILE 134 H ILE 134 2.070 -2.094 3.413 957 HA ILE 134 HA ILE 134 1.014 -3.336 0.998 958 HB ILE 134 HB ILE 134 3.726 -3.603 2.326 959 HG12 ILE 134 HG12 ILE 134 4.422 -2.523 0.079 960 HG13 ILE 134 HG13 ILE 134 2.729 -2.072 -0.072 961 HG21 ILE 134 HG21 ILE 134 4.415 -4.859 0.351 962 HG22 ILE 134 HG22 ILE 134 2.773 -4.773 -0.286 963 HG23 ILE 134 HG23 ILE 134 3.098 -5.676 1.194 964 HD11 ILE 134 HD11 ILE 134 4.032 -0.248 0.819 965 HD12 ILE 134 HD12 ILE 134 4.593 -1.268 2.143 966 HD13 ILE 134 HD13 ILE 134 2.889 -0.830 2.030 967 H TYR 135 H TYR 135 -0.333 -4.970 1.319 968 HA TYR 135 HA TYR 135 -0.051 -6.640 3.681 969 HB2 TYR 135 HB2 TYR 135 -2.216 -6.174 1.685 970 HB3 TYR 135 HB3 TYR 135 -2.185 -7.717 2.531 971 HD1 TYR 135 HD1 TYR 135 -2.258 -4.034 3.117 972 HD2 TYR 135 HD2 TYR 135 -3.047 -7.907 4.687 973 HE1 TYR 135 HE1 TYR 135 -3.379 -3.016 5.056 974 HE2 TYR 135 HE2 TYR 135 -4.166 -6.902 6.630 975 HH TYR 135 HH TYR 135 -4.768 -3.446 6.822 976 H LEU 136 H LEU 136 1.927 -7.613 3.021 977 HA LEU 136 HA LEU 136 1.828 -9.483 0.826 978 HB2 LEU 136 HB2 LEU 136 4.086 -10.113 1.426 979 HB3 LEU 136 HB3 LEU 136 3.948 -8.377 1.333 980 HG LEU 136 HG LEU 136 5.413 -8.872 3.120 981 HD11 LEU 136 HD11 LEU 136 3.947 -7.054 3.651 982 HD12 LEU 136 HD12 LEU 136 4.289 -7.983 5.110 983 HD13 LEU 136 HD13 LEU 136 2.739 -8.169 4.291 984 HD21 LEU 136 HD21 LEU 136 4.883 -11.194 3.480 985 HD22 LEU 136 HD22 LEU 136 3.341 -10.756 4.213 986 HD23 LEU 136 HD23 LEU 136 4.850 -10.316 5.011 987 H ASP 137 H ASP 137 0.920 -9.396 4.056 988 HA ASP 137 HA ASP 137 0.497 -12.300 4.055 989 HB2 ASP 137 HB2 ASP 137 2.252 -11.701 5.677 990 HB3 ASP 137 HB3 ASP 137 1.157 -10.551 6.437 991 H ASN 138 H ASN 138 -1.593 -12.535 3.675 992 HA ASN 138 HA ASN 138 -3.565 -10.559 4.266 993 HB2 ASN 138 HB2 ASN 138 -3.686 -12.157 2.362 994 HB3 ASN 138 HB3 ASN 138 -3.845 -13.483 3.500 995 HD21 ASN 138 HD21 ASN 138 -5.770 -14.155 2.681 996 HD22 ASN 138 HD22 ASN 138 -7.247 -13.269 2.887 997 HA PRO 139 HA PRO 139 -4.400 -11.585 8.548 998 HB2 PRO 139 HB2 PRO 139 -7.228 -11.084 7.740 999 HB3 PRO 139 HB3 PRO 139 -6.320 -10.443 9.115 1000 HG2 PRO 139 HG2 PRO 139 -6.792 -8.927 6.984 1001 HG3 PRO 139 HG3 PRO 139 -5.232 -8.850 7.824 1002 HD2 PRO 139 HD2 PRO 139 -5.928 -10.140 5.229 1003 HD3 PRO 139 HD3 PRO 139 -4.425 -9.336 5.728 1004 H ALA 140 H ALA 140 -5.182 -13.283 9.733 1005 HA ALA 140 HA ALA 140 -5.989 -15.331 10.253 1006 HB1 ALA 140 HB1 ALA 140 -8.052 -16.099 9.202 1007 HB2 ALA 140 HB2 ALA 140 -7.888 -14.855 7.963 1008 HB3 ALA 140 HB3 ALA 140 -8.151 -14.395 9.646 1009 H GLU 141 H GLU 141 -4.051 -14.837 7.797 1010 HA GLU 141 HA GLU 141 -4.347 -17.398 6.452 1011 HB2 GLU 141 HB2 GLU 141 -3.712 -15.306 5.221 1012 HB3 GLU 141 HB3 GLU 141 -2.182 -15.323 6.087 1013 HG2 GLU 141 HG2 GLU 141 -1.768 -17.596 5.118 1014 HG3 GLU 141 HG3 GLU 141 -3.200 -17.351 4.119 1015 H THR 142 H THR 142 -1.729 -15.713 8.206 1016 HA THR 142 HA THR 142 -0.311 -18.206 8.506 1017 HB THR 142 HB THR 142 1.039 -16.275 8.075 1018 HG1 THR 142 HG1 THR 142 1.863 -17.854 9.600 1019 HG21 THR 142 HG21 THR 142 1.192 -14.380 9.618 1020 HG22 THR 142 HG22 THR 142 -0.103 -15.071 10.597 1021 HG23 THR 142 HG23 THR 142 -0.433 -14.540 8.947 1022 H ALA 143 H ALA 143 -1.476 -15.787 10.826 1023 HA ALA 143 HA ALA 143 -2.824 -17.533 12.531 1024 HB1 ALA 143 HB1 ALA 143 -0.635 -18.493 13.043 1025 HB2 ALA 143 HB2 ALA 143 -1.271 -17.628 14.443 1026 HB3 ALA 143 HB3 ALA 143 -0.013 -16.893 13.448 1027 HA PRO 144 HA PRO 144 -4.153 -13.532 14.006 1028 HB2 PRO 144 HB2 PRO 144 -4.532 -14.930 16.599 1029 HB3 PRO 144 HB3 PRO 144 -5.680 -13.968 15.659 1030 HG2 PRO 144 HG2 PRO 144 -5.863 -16.626 15.742 1031 HG3 PRO 144 HG3 PRO 144 -6.210 -15.730 14.253 1032 HD2 PRO 144 HD2 PRO 144 -3.789 -17.319 14.990 1033 HD3 PRO 144 HD3 PRO 144 -4.592 -17.143 13.418 1034 H ASP 145 H ASP 145 -3.097 -11.911 14.860 1035 HA ASP 145 HA ASP 145 -1.690 -10.631 16.111 1036 HB2 ASP 145 HB2 ASP 145 -2.407 -12.018 18.050 1037 HB3 ASP 145 HB3 ASP 145 -1.087 -13.129 17.708 1038 H GLN 146 H GLN 146 -0.694 -13.476 14.511 1039 HA GLN 146 HA GLN 146 2.118 -12.664 14.533 1040 HB2 GLN 146 HB2 GLN 146 1.494 -15.061 14.907 1041 HB3 GLN 146 HB3 GLN 146 0.856 -15.107 13.270 1042 HG2 GLN 146 HG2 GLN 146 3.050 -14.687 12.360 1043 HG3 GLN 146 HG3 GLN 146 3.719 -14.508 13.981 1044 HE21 GLN 146 HE21 GLN 146 2.462 -16.735 11.619 1045 HE22 GLN 146 HE22 GLN 146 3.040 -18.175 12.382 1046 H LEU 147 H LEU 147 -0.543 -11.822 12.950 1047 HA LEU 147 HA LEU 147 0.197 -11.850 10.214 1048 HB2 LEU 147 HB2 LEU 147 -1.607 -9.915 11.676 1049 HB3 LEU 147 HB3 LEU 147 -1.567 -10.183 9.945 1050 HG LEU 147 HG LEU 147 -2.389 -12.256 11.980 1051 HD11 LEU 147 HD11 LEU 147 -4.663 -11.862 11.137 1052 HD12 LEU 147 HD12 LEU 147 -4.056 -10.520 10.165 1053 HD13 LEU 147 HD13 LEU 147 -3.987 -10.435 11.926 1054 HD21 LEU 147 HD21 LEU 147 -2.569 -12.232 8.969 1055 HD22 LEU 147 HD22 LEU 147 -3.205 -13.488 10.031 1056 HD23 LEU 147 HD23 LEU 147 -1.465 -13.213 9.933 1057 H ARG 148 H ARG 148 1.348 -10.340 9.010 1058 HA ARG 148 HA ARG 148 2.348 -8.002 10.464 1059 HB2 ARG 148 HB2 ARG 148 4.625 -8.321 9.736 1060 HB3 ARG 148 HB3 ARG 148 4.091 -9.724 10.639 1061 HG2 ARG 148 HG2 ARG 148 4.103 -9.650 7.638 1062 HG3 ARG 148 HG3 ARG 148 5.506 -10.137 8.584 1063 HD2 ARG 148 HD2 ARG 148 4.043 -11.862 9.678 1064 HD3 ARG 148 HD3 ARG 148 2.797 -11.448 8.499 1065 HE ARG 148 HE ARG 148 5.182 -12.020 7.126 1066 HH11 ARG 148 HH11 ARG 148 2.728 -13.635 9.020 1067 HH12 ARG 148 HH12 ARG 148 2.953 -15.169 8.240 1068 HH21 ARG 148 HH21 ARG 148 5.481 -14.038 6.098 1069 HH22 ARG 148 HH22 ARG 148 4.523 -15.403 6.590 1070 H THR 149 H THR 149 2.013 -6.232 9.407 1071 HA THR 149 HA THR 149 1.848 -6.322 6.465 1072 HB THR 149 HB THR 149 0.466 -4.366 8.319 1073 HG1 THR 149 HG1 THR 149 -1.390 -5.565 7.900 1074 HG21 THR 149 HG21 THR 149 0.957 -3.471 6.086 1075 HG22 THR 149 HG22 THR 149 -0.775 -3.712 6.317 1076 HG23 THR 149 HG23 THR 149 0.155 -4.863 5.358 1077 H ARG 150 H ARG 150 3.213 -5.021 5.347 1078 HA ARG 150 HA ARG 150 5.085 -3.390 6.849 1079 HB2 ARG 150 HB2 ARG 150 5.999 -4.756 5.063 1080 HB3 ARG 150 HB3 ARG 150 4.905 -4.029 3.894 1081 HG2 ARG 150 HG2 ARG 150 6.025 -1.880 4.158 1082 HG3 ARG 150 HG3 ARG 150 7.102 -2.581 5.368 1083 HD2 ARG 150 HD2 ARG 150 8.108 -4.015 3.755 1084 HD3 ARG 150 HD3 ARG 150 6.889 -3.614 2.548 1085 HE ARG 150 HE ARG 150 8.065 -1.221 3.142 1086 HH11 ARG 150 HH11 ARG 150 9.322 -4.335 2.142 1087 HH12 ARG 150 HH12 ARG 150 10.618 -3.648 1.200 1088 HH21 ARG 150 HH21 ARG 150 9.759 -0.322 1.870 1089 HH22 ARG 150 HH22 ARG 150 10.843 -1.380 1.019 1090 H VAL 151 H VAL 151 4.143 -1.557 7.542 1091 HA VAL 151 HA VAL 151 2.503 0.017 5.719 1092 HB VAL 151 HB VAL 151 1.670 -0.211 7.993 1093 HG11 VAL 151 HG11 VAL 151 3.786 -0.549 9.158 1094 HG12 VAL 151 HG12 VAL 151 2.841 0.734 9.915 1095 HG13 VAL 151 HG13 VAL 151 4.215 1.139 8.885 1096 HG21 VAL 151 HG21 VAL 151 1.362 2.158 8.562 1097 HG22 VAL 151 HG22 VAL 151 1.153 1.854 6.837 1098 HG23 VAL 151 HG23 VAL 151 2.645 2.584 7.429 1099 H SER 152 H SER 152 3.188 1.824 4.701 1100 HA SER 152 HA SER 152 5.811 2.917 5.424 1101 HB2 SER 152 HB2 SER 152 6.131 1.204 3.655 1102 HB3 SER 152 HB3 SER 152 5.028 2.099 2.614 1103 HG SER 152 HG SER 152 6.618 3.360 2.101 1104 H LEU 153 H LEU 153 6.180 5.047 4.741 1105 HA LEU 153 HA LEU 153 3.782 6.500 3.809 1106 HB2 LEU 153 HB2 LEU 153 5.978 7.374 5.691 1107 HB3 LEU 153 HB3 LEU 153 4.875 8.506 4.937 1108 HG LEU 153 HG LEU 153 2.989 7.210 6.049 1109 HD11 LEU 153 HD11 LEU 153 3.566 5.906 8.026 1110 HD12 LEU 153 HD12 LEU 153 5.280 6.079 7.648 1111 HD13 LEU 153 HD13 LEU 153 4.226 5.172 6.564 1112 HD21 LEU 153 HD21 LEU 153 3.322 8.349 8.190 1113 HD22 LEU 153 HD22 LEU 153 3.737 9.385 6.825 1114 HD23 LEU 153 HD23 LEU 153 5.014 8.625 7.775 1115 H MET 154 H MET 154 4.411 8.651 2.684 1116 HA MET 154 HA MET 154 6.631 8.043 0.859 1117 HB2 MET 154 HB2 MET 154 4.202 9.775 0.625 1118 HB3 MET 154 HB3 MET 154 5.598 10.083 -0.400 1119 HG2 MET 154 HG2 MET 154 4.081 7.491 -0.220 1120 HG3 MET 154 HG3 MET 154 3.949 8.680 -1.514 1121 HE1 MET 154 HE1 MET 154 5.813 5.699 -3.248 1122 HE2 MET 154 HE2 MET 154 4.397 6.751 -3.276 1123 HE3 MET 154 HE3 MET 154 4.588 5.561 -1.986 1124 H LEU 155 H LEU 155 8.333 9.360 0.524 1125 HA LEU 155 HA LEU 155 8.708 11.562 2.453 1126 HB2 LEU 155 HB2 LEU 155 10.764 9.748 1.171 1127 HB3 LEU 155 HB3 LEU 155 11.155 11.136 2.157 1128 HG LEU 155 HG LEU 155 11.472 9.135 3.437 1129 HD11 LEU 155 HD11 LEU 155 10.639 11.048 4.661 1130 HD12 LEU 155 HD12 LEU 155 10.030 9.540 5.347 1131 HD13 LEU 155 HD13 LEU 155 8.976 10.542 4.349 1132 HD21 LEU 155 HD21 LEU 155 9.633 7.608 3.963 1133 HD22 LEU 155 HD22 LEU 155 10.035 7.615 2.246 1134 HD23 LEU 155 HD23 LEU 155 8.602 8.473 2.820 1135 H HIS 156 H HIS 156 9.554 13.500 1.705 1136 HA HIS 156 HA HIS 156 10.541 15.036 0.372 1137 HB2 HIS 156 HB2 HIS 156 12.121 13.295 -0.314 1138 HB3 HIS 156 HB3 HIS 156 11.012 12.776 -1.578 1139 HD1 HIS 156 HD1 HIS 156 13.248 15.662 -0.633 1140 HD2 HIS 156 HD2 HIS 156 11.126 14.246 -3.918 1141 HE1 HIS 156 HE1 HIS 156 13.981 17.078 -2.577 1142 HE2 HIS 156 HE2 HIS 156 12.550 16.327 -4.508 1143 H GLU 157 H GLU 157 8.471 12.860 -1.579 1144 HA GLU 157 HA GLU 157 7.754 15.022 -3.335 1145 HB2 GLU 157 HB2 GLU 157 7.835 12.574 -3.991 1146 HB3 GLU 157 HB3 GLU 157 6.346 12.365 -3.081 1147 HG2 GLU 157 HG2 GLU 157 5.830 12.620 -5.412 1148 HG3 GLU 157 HG3 GLU 157 5.254 14.031 -4.526 1149 H SER 158 H SER 158 6.835 16.621 -2.160 1150 HA SER 158 HA SER 158 4.911 16.232 -0.130 1151 HB2 SER 158 HB2 SER 158 5.452 18.750 -1.720 1152 HB3 SER 158 HB3 SER 158 4.710 18.645 -0.123 1153 HG SER 158 HG SER 158 6.753 17.652 0.558 1154 H LEU 159 H LEU 159 3.042 15.210 -0.691 1155 HA LEU 159 HA LEU 159 1.480 16.117 -2.964 1156 HB2 LEU 159 HB2 LEU 159 0.800 14.200 -0.727 1157 HB3 LEU 159 HB3 LEU 159 -0.219 14.516 -2.117 1158 HG LEU 159 HG LEU 159 2.526 13.260 -2.215 1159 HD11 LEU 159 HD11 LEU 159 1.299 11.220 -2.814 1160 HD12 LEU 159 HD12 LEU 159 -0.223 12.063 -2.533 1161 HD13 LEU 159 HD13 LEU 159 0.891 11.786 -1.196 1162 HD21 LEU 159 HD21 LEU 159 1.995 12.816 -4.558 1163 HD22 LEU 159 HD22 LEU 159 2.002 14.549 -4.226 1164 HD23 LEU 159 HD23 LEU 159 0.470 13.687 -4.383 1165 H GLU 160 H GLU 160 2.173 17.254 -0.015 1166 HA GLU 160 HA GLU 160 -0.134 18.988 0.099 1167 HB2 GLU 160 HB2 GLU 160 -0.460 16.844 1.552 1168 HB3 GLU 160 HB3 GLU 160 0.760 17.547 2.596 1169 HG2 GLU 160 HG2 GLU 160 -1.747 19.022 1.874 1170 HG3 GLU 160 HG3 GLU 160 -1.681 17.887 3.217 1171 H HIS 161 H HIS 161 0.369 20.940 1.203 1172 HA HIS 161 HA HIS 161 1.599 22.519 2.281 1173 HB2 HIS 161 HB2 HIS 161 2.919 20.115 3.109 1174 HB3 HIS 161 HB3 HIS 161 4.124 21.357 2.791 1175 HD1 HIS 161 HD1 HIS 161 1.281 20.505 5.066 1176 HD2 HIS 161 HD2 HIS 161 4.110 23.514 4.556 1177 HE1 HIS 161 HE1 HIS 161 1.200 21.886 7.173 1178 HE2 HIS 161 HE2 HIS 161 2.747 23.828 6.730 1179 H HIS 162 H HIS 162 2.032 24.006 0.837 1180 HA HIS 162 HA HIS 162 4.583 23.747 -0.604 1181 HB2 HIS 162 HB2 HIS 162 3.619 25.523 -2.191 1182 HB3 HIS 162 HB3 HIS 162 3.031 23.878 -2.363 1183 HD1 HIS 162 HD1 HIS 162 1.909 27.334 -1.796 1184 HD2 HIS 162 HD2 HIS 162 0.357 23.495 -1.365 1185 HE1 HIS 162 HE1 HIS 162 -0.582 27.621 -1.590 1186 HE2 HIS 162 HE2 HIS 162 -1.510 25.278 -1.482 1187 H HIS 163 H HIS 163 6.009 25.466 -0.449 1188 HA HIS 163 HA HIS 163 7.177 26.941 0.808 1189 HB2 HIS 163 HB2 HIS 163 4.433 28.139 1.123 1190 HB3 HIS 163 HB3 HIS 163 5.826 28.815 1.962 1191 HD1 HIS 163 HD1 HIS 163 3.941 29.384 -0.943 1192 HD2 HIS 163 HD2 HIS 163 8.020 29.262 -0.140 1193 HE1 HIS 163 HE1 HIS 163 5.041 30.678 -2.800 1194 HE2 HIS 163 HE2 HIS 163 7.475 30.790 -2.155 1195 H HIS 164 H HIS 164 8.110 25.934 2.437 1196 HA HIS 164 HA HIS 164 6.503 24.635 4.454 1197 HB2 HIS 164 HB2 HIS 164 8.630 23.701 5.270 1198 HB3 HIS 164 HB3 HIS 164 8.405 23.425 3.549 1199 HD1 HIS 164 HD1 HIS 164 10.750 24.834 5.991 1200 HD2 HIS 164 HD2 HIS 164 10.085 25.125 1.891 1201 HE1 HIS 164 HE1 HIS 164 12.862 25.798 5.023 1202 HE2 HIS 164 HE2 HIS 164 12.502 25.784 2.531 1203 H HIS 165 H HIS 165 6.466 25.012 6.608 1204 HA HIS 165 HA HIS 165 6.678 26.041 8.616 1205 HB2 HIS 165 HB2 HIS 165 9.142 25.968 8.019 1206 HB3 HIS 165 HB3 HIS 165 8.976 27.634 7.480 1207 HD1 HIS 165 HD1 HIS 165 8.758 29.458 9.306 1208 HD2 HIS 165 HD2 HIS 165 9.070 25.585 10.794 1209 HE1 HIS 165 HE1 HIS 165 9.278 29.707 11.750 1210 HE2 HIS 165 HE2 HIS 165 9.277 27.356 12.665 1211 H HIS 166 H HIS 166 5.875 27.823 9.671 1212 HA HIS 166 HA HIS 166 5.195 30.157 8.017 1213 HB2 HIS 166 HB2 HIS 166 4.092 29.111 10.617 1214 HB3 HIS 166 HB3 HIS 166 3.829 30.780 10.127 1215 HD1 HIS 166 HD1 HIS 166 2.398 27.491 9.847 1216 HD2 HIS 166 HD2 HIS 166 2.461 30.921 7.499 1217 HE1 HIS 166 HE1 HIS 166 0.462 27.263 8.256 1218 HE2 HIS 166 HE2 HIS 166 0.398 29.444 6.993 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -6.601 -10.058 18.942 2 H2 MET 1 H2 MET 1 -6.929 -11.353 17.900 3 H3 MET 1 H3 MET 1 -5.881 -10.112 17.404 4 HA MET 1 HA MET 1 -5.421 -12.117 19.538 5 HB2 MET 1 HB2 MET 1 -3.904 -11.520 16.984 6 HB3 MET 1 HB3 MET 1 -3.516 -12.779 18.147 7 HG2 MET 1 HG2 MET 1 -6.088 -12.654 16.594 8 HG3 MET 1 HG3 MET 1 -4.669 -13.567 16.087 9 HE1 MET 1 HE1 MET 1 -3.777 -15.697 17.229 10 HE2 MET 1 HE2 MET 1 -4.374 -16.345 18.757 11 HE3 MET 1 HE3 MET 1 -3.518 -14.803 18.728 12 H ASP 2 H ASP 2 -3.233 -11.946 20.482 13 HA ASP 2 HA ASP 2 -2.239 -9.171 20.597 14 HB2 ASP 2 HB2 ASP 2 -3.107 -10.890 22.914 15 HB3 ASP 2 HB3 ASP 2 -2.061 -9.490 23.108 16 H PHE 3 H PHE 3 -1.195 -11.555 19.356 17 HA PHE 3 HA PHE 3 0.833 -12.669 21.027 18 HB2 PHE 3 HB2 PHE 3 -0.180 -13.965 19.243 19 HB3 PHE 3 HB3 PHE 3 0.386 -12.809 18.046 20 HD1 PHE 3 HD1 PHE 3 1.716 -15.047 20.722 21 HD2 PHE 3 HD2 PHE 3 2.315 -13.286 16.893 22 HE1 PHE 3 HE1 PHE 3 3.777 -16.361 20.441 23 HE2 PHE 3 HE2 PHE 3 4.377 -14.593 16.610 24 HZ PHE 3 HZ PHE 3 5.113 -16.135 18.384 25 H GLU 4 H GLU 4 2.194 -11.166 21.771 26 HA GLU 4 HA GLU 4 3.984 -9.807 21.884 27 HB2 GLU 4 HB2 GLU 4 4.383 -10.748 19.047 28 HB3 GLU 4 HB3 GLU 4 5.509 -9.678 19.869 29 HG2 GLU 4 HG2 GLU 4 5.725 -11.440 21.645 30 HG3 GLU 4 HG3 GLU 4 4.799 -12.505 20.590 31 H CYS 5 H CYS 5 5.046 -7.839 20.855 32 HA CYS 5 HA CYS 5 3.345 -6.327 19.049 33 HB2 CYS 5 HB2 CYS 5 4.112 -5.280 21.788 34 HB3 CYS 5 HB3 CYS 5 3.402 -4.308 20.504 35 HG CYS 5 HG CYS 5 1.489 -6.912 20.978 36 H GLN 6 H GLN 6 4.957 -6.424 17.553 37 HA GLN 6 HA GLN 6 7.570 -5.346 18.350 38 HB2 GLN 6 HB2 GLN 6 7.616 -7.742 17.752 39 HB3 GLN 6 HB3 GLN 6 6.970 -7.344 16.166 40 HG2 GLN 6 HG2 GLN 6 8.953 -6.074 15.633 41 HG3 GLN 6 HG3 GLN 6 9.596 -6.358 17.251 42 HE21 GLN 6 HE21 GLN 6 11.421 -7.365 16.483 43 HE22 GLN 6 HE22 GLN 6 11.388 -8.960 15.801 44 H PHE 7 H PHE 7 7.858 -3.399 17.626 45 HA PHE 7 HA PHE 7 6.899 -2.698 14.928 46 HB2 PHE 7 HB2 PHE 7 7.337 -0.715 17.160 47 HB3 PHE 7 HB3 PHE 7 6.447 -0.482 15.660 48 HD1 PHE 7 HD2 PHE 7 4.280 -1.818 15.361 49 HD2 PHE 7 HD1 PHE 7 6.236 -1.344 19.109 50 HE1 PHE 7 HE2 PHE 7 2.193 -2.411 16.521 51 HE2 PHE 7 HE1 PHE 7 4.153 -1.939 20.276 52 HZ PHE 7 HZ PHE 7 2.131 -2.474 18.983 53 H VAL 8 H VAL 8 8.705 -2.841 13.681 54 HA VAL 8 HA VAL 8 11.138 -1.531 14.706 55 HB VAL 8 HB VAL 8 11.550 -3.905 14.682 56 HG11 VAL 8 HG11 VAL 8 11.439 -5.226 12.609 57 HG12 VAL 8 HG12 VAL 8 10.695 -3.849 11.796 58 HG13 VAL 8 HG13 VAL 8 9.861 -4.641 13.134 59 HG21 VAL 8 HG21 VAL 8 13.470 -4.018 13.157 60 HG22 VAL 8 HG22 VAL 8 13.411 -2.491 14.036 61 HG23 VAL 8 HG23 VAL 8 12.903 -2.557 12.348 62 H CYS 9 H CYS 9 11.974 0.018 13.507 63 HA CYS 9 HA CYS 9 10.714 0.641 10.954 64 HB2 CYS 9 HB2 CYS 9 12.660 2.287 12.585 65 HB3 CYS 9 HB3 CYS 9 11.715 2.844 11.209 66 HG CYS 9 HG CYS 9 10.498 3.994 13.356 67 H GLU 10 H GLU 10 11.908 1.114 9.084 68 HA GLU 10 HA GLU 10 14.762 0.608 9.028 69 HB2 GLU 10 HB2 GLU 10 14.623 -1.084 7.266 70 HB3 GLU 10 HB3 GLU 10 13.818 -1.641 8.724 71 HG2 GLU 10 HG2 GLU 10 11.646 -1.033 7.729 72 HG3 GLU 10 HG3 GLU 10 12.480 -0.557 6.251 73 H LEU 11 H LEU 11 15.672 1.150 6.884 74 HA LEU 11 HA LEU 11 13.947 3.033 5.418 75 HB2 LEU 11 HB2 LEU 11 15.787 4.056 6.848 76 HB3 LEU 11 HB3 LEU 11 16.932 3.315 5.756 77 HG LEU 11 HG LEU 11 16.517 5.737 5.340 78 HD11 LEU 11 HD11 LEU 11 17.399 4.385 3.550 79 HD12 LEU 11 HD12 LEU 11 16.246 5.553 2.902 80 HD13 LEU 11 HD13 LEU 11 15.775 3.864 3.104 81 HD21 LEU 11 HD21 LEU 11 14.429 6.405 4.261 82 HD22 LEU 11 HD22 LEU 11 14.155 5.804 5.896 83 HD23 LEU 11 HD23 LEU 11 13.784 4.782 4.508 84 H LYS 12 H LYS 12 13.562 2.346 3.445 85 HA LYS 12 HA LYS 12 15.633 0.883 1.985 86 HB2 LYS 12 HB2 LYS 12 14.009 -0.861 1.325 87 HB3 LYS 12 HB3 LYS 12 14.327 -0.864 3.054 88 HG2 LYS 12 HG2 LYS 12 12.233 0.377 3.419 89 HG3 LYS 12 HG3 LYS 12 11.911 0.305 1.688 90 HD2 LYS 12 HD2 LYS 12 12.223 -2.082 3.508 91 HD3 LYS 12 HD3 LYS 12 10.688 -1.427 2.935 92 HE2 LYS 12 HE2 LYS 12 11.343 -1.900 0.631 93 HE3 LYS 12 HE3 LYS 12 12.892 -2.526 1.194 94 HZ1 LYS 12 HZ1 LYS 12 10.255 -3.660 1.935 95 HZ2 LYS 12 HZ2 LYS 12 11.767 -4.299 2.337 96 HZ3 LYS 12 HZ3 LYS 12 11.252 -4.276 0.720 97 H GLU 13 H GLU 13 15.086 0.631 -0.323 98 HA GLU 13 HA GLU 13 13.339 2.797 -1.263 99 HB2 GLU 13 HB2 GLU 13 14.617 2.551 -3.421 100 HB3 GLU 13 HB3 GLU 13 15.555 3.145 -2.061 101 HG2 GLU 13 HG2 GLU 13 16.498 0.924 -1.728 102 HG3 GLU 13 HG3 GLU 13 15.549 0.317 -3.084 103 H LEU 14 H LEU 14 11.781 2.386 -2.804 104 HA LEU 14 HA LEU 14 11.027 -0.439 -2.997 105 HB2 LEU 14 HB2 LEU 14 9.444 2.105 -3.267 106 HB3 LEU 14 HB3 LEU 14 8.806 0.559 -3.786 107 HG LEU 14 HG LEU 14 7.916 1.006 -1.626 108 HD11 LEU 14 HD11 LEU 14 10.170 -0.974 -1.353 109 HD12 LEU 14 HD12 LEU 14 8.571 -1.303 -2.020 110 HD13 LEU 14 HD13 LEU 14 8.745 -0.875 -0.318 111 HD21 LEU 14 HD21 LEU 14 9.303 1.431 0.338 112 HD22 LEU 14 HD22 LEU 14 9.520 2.682 -0.885 113 HD23 LEU 14 HD23 LEU 14 10.746 1.432 -0.675 114 H ALA 15 H ALA 15 10.460 -1.390 -4.944 115 HA ALA 15 HA ALA 15 11.713 -0.192 -7.283 116 HB1 ALA 15 HB1 ALA 15 11.466 -2.403 -8.296 117 HB2 ALA 15 HB2 ALA 15 10.556 -2.957 -6.890 118 HB3 ALA 15 HB3 ALA 15 12.256 -2.516 -6.724 119 HA PRO 16 HA PRO 16 7.805 0.974 -9.001 120 HB2 PRO 16 HB2 PRO 16 8.971 1.093 -11.635 121 HB3 PRO 16 HB3 PRO 16 8.586 2.425 -10.544 122 HG2 PRO 16 HG2 PRO 16 11.138 1.694 -11.225 123 HG3 PRO 16 HG3 PRO 16 10.712 2.526 -9.718 124 HD2 PRO 16 HD2 PRO 16 11.254 -0.379 -10.195 125 HD3 PRO 16 HD3 PRO 16 11.739 0.651 -8.830 126 H VAL 17 H VAL 17 6.249 -0.507 -9.218 127 HA VAL 17 HA VAL 17 6.390 -2.320 -11.536 128 HB VAL 17 HB VAL 17 6.863 -3.681 -9.568 129 HG11 VAL 17 HG11 VAL 17 5.906 -2.293 -7.838 130 HG12 VAL 17 HG12 VAL 17 5.237 -3.922 -7.742 131 HG13 VAL 17 HG13 VAL 17 4.280 -2.616 -8.442 132 HG21 VAL 17 HG21 VAL 17 5.535 -4.747 -11.287 133 HG22 VAL 17 HG22 VAL 17 4.053 -4.124 -10.566 134 HG23 VAL 17 HG23 VAL 17 5.022 -5.313 -9.697 135 HA PRO 18 HA PRO 18 2.475 -0.449 -12.516 136 HB2 PRO 18 HB2 PRO 18 1.367 -2.517 -13.950 137 HB3 PRO 18 HB3 PRO 18 2.532 -1.361 -14.602 138 HG2 PRO 18 HG2 PRO 18 2.979 -4.130 -13.563 139 HG3 PRO 18 HG3 PRO 18 3.693 -3.332 -14.976 140 HD2 PRO 18 HD2 PRO 18 5.055 -3.604 -12.678 141 HD3 PRO 18 HD3 PRO 18 5.231 -2.162 -13.699 142 H ALA 19 H ALA 19 0.517 -0.293 -11.605 143 HA ALA 19 HA ALA 19 -0.715 -2.599 -10.327 144 HB1 ALA 19 HB1 ALA 19 -0.923 -1.503 -8.163 145 HB2 ALA 19 HB2 ALA 19 -0.011 -0.116 -8.762 146 HB3 ALA 19 HB3 ALA 19 0.774 -1.688 -8.606 147 H LEU 20 H LEU 20 -2.910 -2.214 -9.676 148 HA LEU 20 HA LEU 20 -4.162 0.112 -10.992 149 HB2 LEU 20 HB2 LEU 20 -4.886 -2.755 -10.915 150 HB3 LEU 20 HB3 LEU 20 -6.216 -1.636 -10.693 151 HG LEU 20 HG LEU 20 -5.948 -2.358 -13.041 152 HD11 LEU 20 HD11 LEU 20 -5.397 0.567 -12.573 153 HD12 LEU 20 HD12 LEU 20 -6.980 -0.213 -12.531 154 HD13 LEU 20 HD13 LEU 20 -6.070 -0.142 -14.042 155 HD21 LEU 20 HD21 LEU 20 -3.530 -2.625 -13.094 156 HD22 LEU 20 HD22 LEU 20 -3.320 -0.886 -12.886 157 HD23 LEU 20 HD23 LEU 20 -4.065 -1.515 -14.357 158 H LEU 21 H LEU 21 -5.164 1.499 -9.674 159 HA LEU 21 HA LEU 21 -5.620 0.600 -6.904 160 HB2 LEU 21 HB2 LEU 21 -4.808 3.353 -7.848 161 HB3 LEU 21 HB3 LEU 21 -5.116 2.897 -6.185 162 HG LEU 21 HG LEU 21 -3.190 1.185 -6.551 163 HD11 LEU 21 HD11 LEU 21 -1.490 1.933 -8.134 164 HD12 LEU 21 HD12 LEU 21 -2.582 3.183 -8.726 165 HD13 LEU 21 HD13 LEU 21 -2.979 1.481 -8.963 166 HD21 LEU 21 HD21 LEU 21 -1.559 2.864 -5.863 167 HD22 LEU 21 HD22 LEU 21 -3.096 3.075 -5.024 168 HD23 LEU 21 HD23 LEU 21 -2.665 4.144 -6.358 169 H ILE 22 H ILE 22 -7.603 0.846 -6.088 170 HA ILE 22 HA ILE 22 -9.631 2.328 -7.554 171 HB ILE 22 HB ILE 22 -9.826 0.818 -4.935 172 HG12 ILE 22 HG12 ILE 22 -9.318 -0.589 -6.947 173 HG13 ILE 22 HG13 ILE 22 -10.847 -0.974 -6.166 174 HG21 ILE 22 HG21 ILE 22 -11.992 1.978 -6.681 175 HG22 ILE 22 HG22 ILE 22 -11.519 2.540 -5.077 176 HG23 ILE 22 HG23 ILE 22 -12.257 0.950 -5.273 177 HD11 ILE 22 HD11 ILE 22 -10.507 0.669 -8.663 178 HD12 ILE 22 HD12 ILE 22 -12.040 0.273 -7.886 179 HD13 ILE 22 HD13 ILE 22 -11.048 -1.007 -8.583 180 H ARG 23 H ARG 23 -9.836 4.456 -7.219 181 HA ARG 23 HA ARG 23 -8.609 5.680 -4.897 182 HB2 ARG 23 HB2 ARG 23 -9.174 7.810 -5.971 183 HB3 ARG 23 HB3 ARG 23 -8.358 6.735 -7.097 184 HG2 ARG 23 HG2 ARG 23 -10.517 6.158 -8.101 185 HG3 ARG 23 HG3 ARG 23 -11.323 7.258 -6.982 186 HD2 ARG 23 HD2 ARG 23 -9.883 9.092 -7.923 187 HD3 ARG 23 HD3 ARG 23 -9.361 7.945 -9.159 188 HE ARG 23 HE ARG 23 -12.220 8.574 -8.789 189 HH11 ARG 23 HH11 ARG 23 -9.363 8.436 -10.814 190 HH12 ARG 23 HH12 ARG 23 -10.227 8.776 -12.277 191 HH21 ARG 23 HH21 ARG 23 -13.340 9.102 -10.701 192 HH22 ARG 23 HH22 ARG 23 -12.481 9.197 -12.210 193 H THR 24 H THR 24 -9.676 5.744 -3.016 194 HA THR 24 HA THR 24 -12.405 6.740 -3.039 195 HB THR 24 HB THR 24 -12.743 4.341 -3.237 196 HG1 THR 24 HG1 THR 24 -14.343 4.480 -1.875 197 HG21 THR 24 HG21 THR 24 -11.207 4.092 -0.654 198 HG22 THR 24 HG22 THR 24 -10.631 3.584 -2.241 199 HG23 THR 24 HG23 THR 24 -12.024 2.786 -1.512 200 H GLN 25 H GLN 25 -13.193 7.061 -0.728 201 HA GLN 25 HA GLN 25 -10.966 7.590 1.105 202 HB2 GLN 25 HB2 GLN 25 -11.999 9.735 1.764 203 HB3 GLN 25 HB3 GLN 25 -11.510 9.739 0.080 204 HG2 GLN 25 HG2 GLN 25 -14.328 9.224 0.989 205 HG3 GLN 25 HG3 GLN 25 -13.711 10.822 0.582 206 HE21 GLN 25 HE21 GLN 25 -12.033 9.776 -1.616 207 HE22 GLN 25 HE22 GLN 25 -13.143 9.385 -2.896 208 H THR 26 H THR 26 -11.473 7.254 3.321 209 HA THR 26 HA THR 26 -14.168 6.381 3.945 210 HB THR 26 HB THR 26 -13.170 4.453 2.706 211 HG1 THR 26 HG1 THR 26 -14.821 4.024 4.190 212 HG21 THR 26 HG21 THR 26 -11.328 4.327 5.097 213 HG22 THR 26 HG22 THR 26 -10.861 4.647 3.426 214 HG23 THR 26 HG23 THR 26 -11.499 3.067 3.874 215 H ALA 27 H ALA 27 -13.869 4.920 6.130 216 HA ALA 27 HA ALA 27 -12.228 6.534 7.964 217 HB1 ALA 27 HB1 ALA 27 -15.042 5.566 8.466 218 HB2 ALA 27 HB2 ALA 27 -14.582 7.226 8.085 219 HB3 ALA 27 HB3 ALA 27 -14.037 6.482 9.590 220 H MET 28 H MET 28 -12.394 5.315 10.255 221 HA MET 28 HA MET 28 -10.710 3.110 9.941 222 HB2 MET 28 HB2 MET 28 -12.285 4.056 12.332 223 HB3 MET 28 HB3 MET 28 -11.100 2.760 12.407 224 HG2 MET 28 HG2 MET 28 -10.499 5.571 11.516 225 HG3 MET 28 HG3 MET 28 -10.242 4.956 13.148 226 HE1 MET 28 HE1 MET 28 -6.599 5.283 11.713 227 HE2 MET 28 HE2 MET 28 -7.703 5.759 13.005 228 HE3 MET 28 HE3 MET 28 -7.965 6.341 11.361 229 H SER 29 H SER 29 -14.181 3.166 10.754 230 HA SER 29 HA SER 29 -14.150 0.265 11.008 231 HB2 SER 29 HB2 SER 29 -16.574 0.657 11.713 232 HB3 SER 29 HB3 SER 29 -15.321 1.318 12.764 233 HG SER 29 HG SER 29 -17.305 2.608 11.513 234 H GLU 30 H GLU 30 -14.523 2.321 8.448 235 HA GLU 30 HA GLU 30 -16.734 0.834 7.244 236 HB2 GLU 30 HB2 GLU 30 -16.711 3.320 7.106 237 HB3 GLU 30 HB3 GLU 30 -15.239 3.226 6.148 238 HG2 GLU 30 HG2 GLU 30 -16.452 1.966 4.432 239 HG3 GLU 30 HG3 GLU 30 -17.925 2.095 5.390 240 H LEU 31 H LEU 31 -13.496 0.466 7.518 241 HA LEU 31 HA LEU 31 -12.503 -0.009 4.984 242 HB2 LEU 31 HB2 LEU 31 -11.865 -1.439 7.562 243 HB3 LEU 31 HB3 LEU 31 -10.916 -1.563 6.096 244 HG LEU 31 HG LEU 31 -11.353 0.966 7.688 245 HD11 LEU 31 HD11 LEU 31 -9.913 -0.631 8.840 246 HD12 LEU 31 HD12 LEU 31 -8.984 0.748 8.252 247 HD13 LEU 31 HD13 LEU 31 -8.917 -0.791 7.393 248 HD21 LEU 31 HD21 LEU 31 -9.658 1.926 6.198 249 HD22 LEU 31 HD22 LEU 31 -11.098 1.425 5.311 250 HD23 LEU 31 HD23 LEU 31 -9.640 0.433 5.260 251 H GLY 32 H GLY 32 -14.441 -2.123 7.044 252 HA2 GLY 32 HA2 GLY 32 -14.197 -4.476 5.518 253 HA3 GLY 32 HA3 GLY 32 -15.540 -4.090 6.584 254 H SER 33 H SER 33 -16.925 -2.193 5.564 255 HA SER 33 HA SER 33 -18.329 -3.320 3.435 256 HB2 SER 33 HB2 SER 33 -18.357 -0.397 4.208 257 HB3 SER 33 HB3 SER 33 -19.663 -1.325 3.475 258 HG SER 33 HG SER 33 -19.756 -2.563 5.416 259 H LEU 34 H LEU 34 -15.751 -0.941 3.476 260 HA LEU 34 HA LEU 34 -16.085 -0.013 0.821 261 HB2 LEU 34 HB2 LEU 34 -14.850 1.249 2.505 262 HB3 LEU 34 HB3 LEU 34 -13.639 -0.018 2.584 263 HG LEU 34 HG LEU 34 -13.091 0.432 0.191 264 HD11 LEU 34 HD11 LEU 34 -13.857 2.552 -0.783 265 HD12 LEU 34 HD12 LEU 34 -14.941 2.777 0.591 266 HD13 LEU 34 HD13 LEU 34 -15.183 1.421 -0.510 267 HD21 LEU 34 HD21 LEU 34 -11.750 1.372 1.989 268 HD22 LEU 34 HD22 LEU 34 -12.826 2.767 2.078 269 HD23 LEU 34 HD23 LEU 34 -11.857 2.491 0.631 270 H PHE 35 H PHE 35 -13.772 -2.347 2.220 271 HA PHE 35 HA PHE 35 -12.505 -2.902 -0.240 272 HB2 PHE 35 HB2 PHE 35 -12.529 -4.244 2.435 273 HB3 PHE 35 HB3 PHE 35 -11.773 -5.046 1.062 274 HD1 PHE 35 HD2 PHE 35 -11.763 -1.800 2.890 275 HD2 PHE 35 HD1 PHE 35 -9.568 -4.596 0.554 276 HE1 PHE 35 HE2 PHE 35 -9.716 -0.490 3.259 277 HE2 PHE 35 HE1 PHE 35 -7.515 -3.291 0.918 278 HZ PHE 35 HZ PHE 35 -7.587 -1.236 2.273 279 H GLU 36 H GLU 36 -15.261 -4.374 1.381 280 HA GLU 36 HA GLU 36 -15.459 -6.622 -0.324 281 HB2 GLU 36 HB2 GLU 36 -17.528 -5.206 1.356 282 HB3 GLU 36 HB3 GLU 36 -17.837 -6.708 0.495 283 HG2 GLU 36 HG2 GLU 36 -16.052 -7.793 1.768 284 HG3 GLU 36 HG3 GLU 36 -15.779 -6.291 2.649 285 H ALA 37 H ALA 37 -16.637 -3.327 -0.564 286 HA ALA 37 HA ALA 37 -18.288 -3.793 -2.854 287 HB1 ALA 37 HB1 ALA 37 -17.105 -1.200 -1.869 288 HB2 ALA 37 HB2 ALA 37 -18.645 -1.881 -1.349 289 HB3 ALA 37 HB3 ALA 37 -18.426 -1.377 -3.024 290 H GLY 38 H GLY 38 -15.009 -2.573 -2.342 291 HA2 GLY 38 HA2 GLY 38 -14.468 -1.970 -5.055 292 HA3 GLY 38 HA3 GLY 38 -13.267 -2.208 -3.794 293 H TYR 39 H TYR 39 -13.839 -4.862 -3.105 294 HA TYR 39 HA TYR 39 -12.330 -6.278 -5.002 295 HB2 TYR 39 HB2 TYR 39 -12.653 -6.815 -2.536 296 HB3 TYR 39 HB3 TYR 39 -14.208 -7.508 -2.975 297 HD1 TYR 39 HD1 TYR 39 -10.564 -7.887 -3.239 298 HD2 TYR 39 HD2 TYR 39 -14.342 -9.650 -4.074 299 HE1 TYR 39 HE1 TYR 39 -9.457 -10.037 -3.680 300 HE2 TYR 39 HE2 TYR 39 -13.246 -11.805 -4.527 301 HH TYR 39 HH TYR 39 -10.057 -12.460 -3.642 302 H HIS 40 H HIS 40 -15.786 -5.985 -4.498 303 HA HIS 40 HA HIS 40 -16.559 -7.953 -6.406 304 HB2 HIS 40 HB2 HIS 40 -18.049 -7.246 -4.584 305 HB3 HIS 40 HB3 HIS 40 -18.120 -5.625 -5.261 306 HD1 HIS 40 HD1 HIS 40 -19.922 -5.173 -6.923 307 HD2 HIS 40 HD2 HIS 40 -19.317 -9.247 -6.302 308 HE1 HIS 40 HE1 HIS 40 -21.780 -6.338 -8.159 309 HE2 HIS 40 HE2 HIS 40 -21.455 -8.792 -7.697 310 H ASP 41 H ASP 41 -15.738 -4.575 -6.569 311 HA ASP 41 HA ASP 41 -17.040 -4.089 -9.072 312 HB2 ASP 41 HB2 ASP 41 -16.574 -2.332 -7.331 313 HB3 ASP 41 HB3 ASP 41 -14.875 -2.421 -7.788 314 H ILE 42 H ILE 42 -13.633 -4.517 -8.100 315 HA ILE 42 HA ILE 42 -12.877 -4.564 -10.909 316 HB ILE 42 HB ILE 42 -11.422 -3.271 -9.529 317 HG12 ILE 42 HG12 ILE 42 -10.082 -5.881 -10.258 318 HG13 ILE 42 HG13 ILE 42 -10.346 -4.515 -11.336 319 HG21 ILE 42 HG21 ILE 42 -11.876 -4.254 -7.370 320 HG22 ILE 42 HG22 ILE 42 -10.137 -4.212 -7.665 321 HG23 ILE 42 HG23 ILE 42 -11.025 -5.727 -7.836 322 HD11 ILE 42 HD11 ILE 42 -8.614 -4.495 -8.876 323 HD12 ILE 42 HD12 ILE 42 -8.855 -3.148 -9.989 324 HD13 ILE 42 HD13 ILE 42 -8.048 -4.616 -10.541 325 H LEU 43 H LEU 43 -13.745 -6.460 -11.655 326 HA LEU 43 HA LEU 43 -12.412 -8.902 -10.683 327 HB2 LEU 43 HB2 LEU 43 -15.252 -8.584 -11.654 328 HB3 LEU 43 HB3 LEU 43 -14.467 -10.135 -11.447 329 HG LEU 43 HG LEU 43 -14.972 -8.146 -9.230 330 HD11 LEU 43 HD11 LEU 43 -17.038 -9.128 -10.114 331 HD12 LEU 43 HD12 LEU 43 -16.685 -9.697 -8.482 332 HD13 LEU 43 HD13 LEU 43 -16.369 -10.741 -9.869 333 HD21 LEU 43 HD21 LEU 43 -14.325 -9.993 -7.758 334 HD22 LEU 43 HD22 LEU 43 -13.005 -9.529 -8.832 335 HD23 LEU 43 HD23 LEU 43 -13.945 -10.983 -9.167 336 H GLN 44 H GLN 44 -14.313 -7.692 -13.434 337 HA GLN 44 HA GLN 44 -13.209 -9.495 -15.304 338 HB2 GLN 44 HB2 GLN 44 -15.346 -8.490 -15.744 339 HB3 GLN 44 HB3 GLN 44 -14.668 -6.872 -15.645 340 HG2 GLN 44 HG2 GLN 44 -13.284 -7.425 -17.656 341 HG3 GLN 44 HG3 GLN 44 -14.210 -8.918 -17.797 342 HE21 GLN 44 HE21 GLN 44 -13.986 -6.581 -19.584 343 HE22 GLN 44 HE22 GLN 44 -15.615 -6.044 -19.841 344 H LEU 45 H LEU 45 -12.279 -6.299 -14.252 345 HA LEU 45 HA LEU 45 -10.573 -5.613 -16.366 346 HB2 LEU 45 HB2 LEU 45 -11.410 -4.078 -14.588 347 HB3 LEU 45 HB3 LEU 45 -10.300 -4.839 -13.462 348 HG LEU 45 HG LEU 45 -8.404 -4.094 -14.872 349 HD11 LEU 45 HD11 LEU 45 -8.792 -2.425 -16.613 350 HD12 LEU 45 HD12 LEU 45 -10.535 -2.617 -16.412 351 HD13 LEU 45 HD13 LEU 45 -9.562 -3.963 -17.006 352 HD21 LEU 45 HD21 LEU 45 -8.492 -1.762 -14.216 353 HD22 LEU 45 HD22 LEU 45 -9.163 -2.775 -12.938 354 HD23 LEU 45 HD23 LEU 45 -10.240 -1.862 -13.996 355 H LEU 46 H LEU 46 -10.184 -7.857 -13.780 356 HA LEU 46 HA LEU 46 -7.317 -8.097 -14.397 357 HB2 LEU 46 HB2 LEU 46 -7.985 -7.473 -12.040 358 HB3 LEU 46 HB3 LEU 46 -8.708 -9.057 -11.904 359 HG LEU 46 HG LEU 46 -6.522 -10.109 -12.248 360 HD11 LEU 46 HD11 LEU 46 -5.461 -7.285 -12.294 361 HD12 LEU 46 HD12 LEU 46 -5.507 -8.396 -13.662 362 HD13 LEU 46 HD13 LEU 46 -4.489 -8.756 -12.270 363 HD21 LEU 46 HD21 LEU 46 -5.513 -9.449 -10.124 364 HD22 LEU 46 HD22 LEU 46 -7.266 -9.594 -9.984 365 HD23 LEU 46 HD23 LEU 46 -6.518 -8.000 -10.095 366 H ALA 47 H ALA 47 -9.920 -10.120 -13.074 367 HA ALA 47 HA ALA 47 -8.628 -12.519 -13.970 368 HB1 ALA 47 HB1 ALA 47 -9.891 -12.500 -11.895 369 HB2 ALA 47 HB2 ALA 47 -10.586 -13.662 -13.024 370 HB3 ALA 47 HB3 ALA 47 -11.366 -12.100 -12.775 371 H GLY 48 H GLY 48 -11.582 -10.779 -14.894 372 HA2 GLY 48 HA2 GLY 48 -12.456 -12.558 -16.872 373 HA3 GLY 48 HA3 GLY 48 -12.854 -10.849 -16.801 374 H GLN 49 H GLN 49 -10.148 -9.909 -17.042 375 HA GLN 49 HA GLN 49 -9.912 -10.110 -19.916 376 HB2 GLN 49 HB2 GLN 49 -9.743 -7.966 -18.548 377 HB3 GLN 49 HB3 GLN 49 -8.155 -8.522 -18.044 378 HG2 GLN 49 HG2 GLN 49 -7.320 -8.420 -20.261 379 HG3 GLN 49 HG3 GLN 49 -8.934 -8.167 -20.924 380 HE21 GLN 49 HE21 GLN 49 -6.262 -6.710 -19.253 381 HE22 GLN 49 HE22 GLN 49 -6.779 -5.071 -19.445 382 H GLY 50 H GLY 50 -8.946 -12.090 -17.607 383 HA2 GLY 50 HA2 GLY 50 -7.516 -13.879 -17.661 384 HA3 GLY 50 HA3 GLY 50 -7.092 -13.408 -19.299 385 H LYS 51 H LYS 51 -6.696 -11.613 -16.266 386 HA LYS 51 HA LYS 51 -3.783 -11.768 -16.667 387 HB2 LYS 51 HB2 LYS 51 -5.362 -9.391 -15.669 388 HB3 LYS 51 HB3 LYS 51 -3.611 -9.478 -15.782 389 HG2 LYS 51 HG2 LYS 51 -5.483 -9.711 -18.129 390 HG3 LYS 51 HG3 LYS 51 -4.652 -8.233 -17.642 391 HD2 LYS 51 HD2 LYS 51 -2.526 -9.152 -18.123 392 HD3 LYS 51 HD3 LYS 51 -3.181 -10.784 -18.255 393 HE2 LYS 51 HE2 LYS 51 -3.920 -8.529 -20.109 394 HE3 LYS 51 HE3 LYS 51 -2.619 -9.674 -20.435 395 HZ1 LYS 51 HZ1 LYS 51 -5.435 -10.487 -19.948 396 HZ2 LYS 51 HZ2 LYS 51 -4.165 -11.460 -20.511 397 HZ3 LYS 51 HZ3 LYS 51 -4.788 -10.223 -21.489 398 H SER 52 H SER 52 -2.524 -11.589 -14.727 399 HA SER 52 HA SER 52 -3.944 -12.772 -12.442 400 HB2 SER 52 HB2 SER 52 -0.971 -12.905 -12.896 401 HB3 SER 52 HB3 SER 52 -1.991 -13.992 -11.954 402 HG SER 52 HG SER 52 -1.641 -13.816 -14.742 403 HA PRO 53 HA PRO 53 -2.502 -9.343 -9.908 404 HB2 PRO 53 HB2 PRO 53 -2.548 -11.106 -7.596 405 HB3 PRO 53 HB3 PRO 53 -3.609 -9.746 -7.967 406 HG2 PRO 53 HG2 PRO 53 -4.443 -12.333 -7.980 407 HG3 PRO 53 HG3 PRO 53 -5.166 -11.074 -8.996 408 HD2 PRO 53 HD2 PRO 53 -3.179 -13.193 -9.720 409 HD3 PRO 53 HD3 PRO 53 -4.566 -12.582 -10.648 410 H SER 54 H SER 54 -0.504 -8.686 -9.228 411 HA SER 54 HA SER 54 1.647 -10.621 -9.493 412 HB2 SER 54 HB2 SER 54 1.836 -8.423 -10.596 413 HB3 SER 54 HB3 SER 54 1.767 -7.628 -9.024 414 HG SER 54 HG SER 54 3.667 -9.124 -8.583 415 H GLY 55 H GLY 55 -0.328 -9.956 -7.064 416 HA2 GLY 55 HA2 GLY 55 0.783 -11.259 -5.057 417 HA3 GLY 55 HA3 GLY 55 1.676 -9.748 -4.958 418 HA PRO 56 HA PRO 56 -2.118 -9.211 -2.390 419 HB2 PRO 56 HB2 PRO 56 -0.302 -8.233 -0.345 420 HB3 PRO 56 HB3 PRO 56 -1.374 -9.634 -0.295 421 HG2 PRO 56 HG2 PRO 56 1.326 -9.857 -0.350 422 HG3 PRO 56 HG3 PRO 56 0.246 -11.068 -1.066 423 HD2 PRO 56 HD2 PRO 56 1.742 -8.839 -2.408 424 HD3 PRO 56 HD3 PRO 56 1.572 -10.538 -2.907 425 HA PRO 57 HA PRO 57 -2.501 -4.904 -3.051 426 HB2 PRO 57 HB2 PRO 57 -4.144 -4.063 -1.102 427 HB3 PRO 57 HB3 PRO 57 -4.674 -5.187 -2.358 428 HG2 PRO 57 HG2 PRO 57 -3.834 -5.751 0.458 429 HG3 PRO 57 HG3 PRO 57 -5.194 -6.424 -0.461 430 HD2 PRO 57 HD2 PRO 57 -2.812 -7.724 -0.106 431 HD3 PRO 57 HD3 PRO 57 -3.875 -7.983 -1.502 432 H PHE 58 H PHE 58 -1.847 -2.853 -2.590 433 HA PHE 58 HA PHE 58 -0.418 -2.394 -0.047 434 HB2 PHE 58 HB2 PHE 58 0.373 -0.922 -2.530 435 HB3 PHE 58 HB3 PHE 58 1.345 -1.344 -1.126 436 HD1 PHE 58 HD1 PHE 58 1.973 -3.828 -0.841 437 HD2 PHE 58 HD2 PHE 58 0.511 -2.158 -4.473 438 HE1 PHE 58 HE1 PHE 58 2.924 -5.720 -2.092 439 HE2 PHE 58 HE2 PHE 58 1.454 -4.050 -5.729 440 HZ PHE 58 HZ PHE 58 2.666 -5.833 -4.540 441 H ALA 59 H ALA 59 -1.392 -0.811 1.077 442 HA ALA 59 HA ALA 59 -3.367 0.804 -0.376 443 HB1 ALA 59 HB1 ALA 59 -3.290 0.104 2.554 444 HB2 ALA 59 HB2 ALA 59 -4.278 -0.694 1.330 445 HB3 ALA 59 HB3 ALA 59 -4.564 1.001 1.727 446 H ARG 60 H ARG 60 -2.732 2.800 -0.786 447 HA ARG 60 HA ARG 60 -0.971 4.164 1.094 448 HB2 ARG 60 HB2 ARG 60 -1.332 6.033 -0.789 449 HB3 ARG 60 HB3 ARG 60 -0.132 4.756 -0.934 450 HG2 ARG 60 HG2 ARG 60 -1.804 3.435 -2.223 451 HG3 ARG 60 HG3 ARG 60 -2.862 4.845 -2.191 452 HD2 ARG 60 HD2 ARG 60 -0.049 5.000 -3.232 453 HD3 ARG 60 HD3 ARG 60 -1.389 4.492 -4.259 454 HE ARG 60 HE ARG 60 -2.281 6.825 -3.228 455 HH11 ARG 60 HH11 ARG 60 0.678 5.917 -4.883 456 HH12 ARG 60 HH12 ARG 60 0.893 7.469 -5.611 457 HH21 ARG 60 HH21 ARG 60 -1.997 8.865 -4.177 458 HH22 ARG 60 HH22 ARG 60 -0.636 9.151 -5.217 459 H TYR 61 H TYR 61 -1.708 5.352 2.630 460 HA TYR 61 HA TYR 61 -4.498 6.292 2.567 461 HB2 TYR 61 HB2 TYR 61 -2.616 5.930 4.919 462 HB3 TYR 61 HB3 TYR 61 -4.288 6.457 5.025 463 HD1 TYR 61 HD1 TYR 61 -2.114 3.570 4.190 464 HD2 TYR 61 HD2 TYR 61 -6.062 4.885 5.091 465 HE1 TYR 61 HE1 TYR 61 -2.825 1.234 4.473 466 HE2 TYR 61 HE2 TYR 61 -6.780 2.550 5.363 467 HH TYR 61 HH TYR 61 -4.583 -0.035 5.607 468 H PHE 62 H PHE 62 -4.621 8.381 1.919 469 HA PHE 62 HA PHE 62 -2.453 10.205 2.639 470 HB2 PHE 62 HB2 PHE 62 -3.281 10.337 0.339 471 HB3 PHE 62 HB3 PHE 62 -4.908 10.670 0.924 472 HD1 PHE 62 HD1 PHE 62 -1.439 11.997 1.000 473 HD2 PHE 62 HD2 PHE 62 -5.597 12.868 1.268 474 HE1 PHE 62 HE1 PHE 62 -0.929 14.402 1.023 475 HE2 PHE 62 HE2 PHE 62 -5.092 15.276 1.290 476 HZ PHE 62 HZ PHE 62 -2.757 16.045 1.168 477 H GLY 63 H GLY 63 -2.536 11.341 4.437 478 HA2 GLY 63 HA2 GLY 63 -3.809 13.052 5.677 479 HA3 GLY 63 HA3 GLY 63 -5.192 11.972 5.568 480 H MET 64 H MET 64 -1.779 11.657 6.546 481 HA MET 64 HA MET 64 -2.284 9.720 8.535 482 HB2 MET 64 HB2 MET 64 0.040 11.652 8.354 483 HB3 MET 64 HB3 MET 64 -0.010 10.196 9.339 484 HG2 MET 64 HG2 MET 64 -0.240 8.857 7.282 485 HG3 MET 64 HG3 MET 64 -0.077 10.333 6.334 486 HE1 MET 64 HE1 MET 64 2.153 11.918 6.544 487 HE2 MET 64 HE2 MET 64 3.587 11.435 7.450 488 HE3 MET 64 HE3 MET 64 2.095 11.830 8.305 489 H SER 65 H SER 65 -1.700 13.208 8.762 490 HA SER 65 HA SER 65 -3.030 13.194 11.384 491 HB2 SER 65 HB2 SER 65 -1.378 15.390 10.095 492 HB3 SER 65 HB3 SER 65 -2.023 15.400 11.735 493 HG SER 65 HG SER 65 -0.723 13.306 11.884 494 H ALA 66 H ALA 66 -5.141 13.039 10.612 495 HA ALA 66 HA ALA 66 -6.406 15.463 9.800 496 HB1 ALA 66 HB1 ALA 66 -5.460 14.813 7.628 497 HB2 ALA 66 HB2 ALA 66 -7.223 14.763 7.614 498 HB3 ALA 66 HB3 ALA 66 -6.299 13.265 7.733 499 H GLY 67 H GLY 67 -6.589 11.944 10.001 500 HA2 GLY 67 HA2 GLY 67 -8.131 10.879 11.496 501 HA3 GLY 67 HA3 GLY 67 -9.224 12.239 11.281 502 H THR 68 H THR 68 -9.823 12.556 8.854 503 HA THR 68 HA THR 68 -10.825 10.012 7.855 504 HB THR 68 HB THR 68 -11.219 12.767 6.663 505 HG1 THR 68 HG1 THR 68 -12.094 11.866 9.005 506 HG21 THR 68 HG21 THR 68 -12.779 10.194 6.399 507 HG22 THR 68 HG22 THR 68 -11.768 10.934 5.156 508 HG23 THR 68 HG23 THR 68 -13.242 11.742 5.694 509 H PHE 69 H PHE 69 -9.883 8.926 6.186 510 HA PHE 69 HA PHE 69 -7.623 10.298 4.914 511 HB2 PHE 69 HB2 PHE 69 -6.683 7.856 4.779 512 HB3 PHE 69 HB3 PHE 69 -6.508 8.808 6.247 513 HD1 PHE 69 HD2 PHE 69 -8.518 6.137 4.657 514 HD2 PHE 69 HD1 PHE 69 -7.408 8.074 8.277 515 HE1 PHE 69 HE2 PHE 69 -9.605 4.345 5.944 516 HE2 PHE 69 HE1 PHE 69 -8.495 6.288 9.572 517 HZ PHE 69 HZ PHE 69 -9.596 4.419 8.404 518 H GLU 70 H GLU 70 -7.198 10.056 2.846 519 HA GLU 70 HA GLU 70 -9.164 8.837 1.084 520 HB2 GLU 70 HB2 GLU 70 -7.899 11.075 0.720 521 HB3 GLU 70 HB3 GLU 70 -6.523 10.071 0.297 522 HG2 GLU 70 HG2 GLU 70 -7.311 10.284 -1.781 523 HG3 GLU 70 HG3 GLU 70 -8.419 9.001 -1.298 524 H VAL 71 H VAL 71 -8.870 6.825 0.169 525 HA VAL 71 HA VAL 71 -6.300 5.531 0.768 526 HB VAL 71 HB VAL 71 -7.523 3.411 1.188 527 HG11 VAL 71 HG11 VAL 71 -8.235 3.980 3.436 528 HG12 VAL 71 HG12 VAL 71 -8.310 5.687 2.999 529 HG13 VAL 71 HG13 VAL 71 -6.757 4.850 3.021 530 HG21 VAL 71 HG21 VAL 71 -9.914 3.474 1.664 531 HG22 VAL 71 HG22 VAL 71 -9.598 3.949 -0.005 532 HG23 VAL 71 HG23 VAL 71 -9.972 5.176 1.207 533 H GLU 72 H GLU 72 -5.336 4.524 -0.770 534 HA GLU 72 HA GLU 72 -6.889 3.474 -3.044 535 HB2 GLU 72 HB2 GLU 72 -4.091 4.640 -3.113 536 HB3 GLU 72 HB3 GLU 72 -4.930 3.922 -4.481 537 HG2 GLU 72 HG2 GLU 72 -6.453 5.694 -4.622 538 HG3 GLU 72 HG3 GLU 72 -6.046 6.285 -3.012 539 H PHE 73 H PHE 73 -7.001 1.356 -2.344 540 HA PHE 73 HA PHE 73 -4.851 0.211 -0.851 541 HB2 PHE 73 HB2 PHE 73 -6.320 -1.923 -1.073 542 HB3 PHE 73 HB3 PHE 73 -6.843 -0.587 -0.062 543 HD1 PHE 73 HD1 PHE 73 -7.401 -2.355 -3.231 544 HD2 PHE 73 HD2 PHE 73 -8.801 0.660 -0.576 545 HE1 PHE 73 HE1 PHE 73 -9.555 -2.313 -4.418 546 HE2 PHE 73 HE2 PHE 73 -10.954 0.712 -1.761 547 HZ PHE 73 HZ PHE 73 -11.334 -0.779 -3.683 548 H GLY 74 H GLY 74 -5.440 0.380 -4.178 549 HA2 GLY 74 HA2 GLY 74 -4.124 -0.303 -5.934 550 HA3 GLY 74 HA3 GLY 74 -2.847 -0.068 -4.767 551 H PHE 75 H PHE 75 -4.514 -2.321 -6.719 552 HA PHE 75 HA PHE 75 -3.113 -4.565 -5.445 553 HB2 PHE 75 HB2 PHE 75 -5.177 -4.518 -7.660 554 HB3 PHE 75 HB3 PHE 75 -4.390 -5.975 -7.068 555 HD1 PHE 75 HD2 PHE 75 -4.724 -6.597 -4.624 556 HD2 PHE 75 HD1 PHE 75 -7.098 -3.704 -6.647 557 HE1 PHE 75 HE2 PHE 75 -6.484 -6.863 -2.925 558 HE2 PHE 75 HE1 PHE 75 -8.864 -3.963 -4.955 559 HZ PHE 75 HZ PHE 75 -8.561 -5.545 -3.094 560 HA PRO 76 HA PRO 76 -0.121 -4.370 -8.763 561 HB2 PRO 76 HB2 PRO 76 1.205 -6.653 -8.246 562 HB3 PRO 76 HB3 PRO 76 1.352 -5.234 -7.201 563 HG2 PRO 76 HG2 PRO 76 -0.248 -7.723 -6.810 564 HG3 PRO 76 HG3 PRO 76 0.654 -6.770 -5.619 565 HD2 PRO 76 HD2 PRO 76 -2.082 -6.642 -6.007 566 HD3 PRO 76 HD3 PRO 76 -1.104 -5.370 -5.251 567 H VAL 77 H VAL 77 -0.056 -5.127 -10.858 568 HA VAL 77 HA VAL 77 -2.018 -7.249 -11.442 569 HB VAL 77 HB VAL 77 -2.456 -6.070 -13.589 570 HG11 VAL 77 HG11 VAL 77 -3.829 -4.282 -12.594 571 HG12 VAL 77 HG12 VAL 77 -2.980 -4.509 -11.064 572 HG13 VAL 77 HG13 VAL 77 -3.974 -5.809 -11.722 573 HG21 VAL 77 HG21 VAL 77 -0.373 -4.808 -13.747 574 HG22 VAL 77 HG22 VAL 77 -0.831 -3.861 -12.331 575 HG23 VAL 77 HG23 VAL 77 -1.770 -3.732 -13.820 576 H GLU 78 H GLU 78 -1.780 -7.982 -13.798 577 HA GLU 78 HA GLU 78 0.525 -9.506 -14.047 578 HB2 GLU 78 HB2 GLU 78 -1.705 -9.922 -15.116 579 HB3 GLU 78 HB3 GLU 78 -1.341 -8.651 -16.270 580 HG2 GLU 78 HG2 GLU 78 -0.905 -10.733 -17.312 581 HG3 GLU 78 HG3 GLU 78 0.646 -9.964 -16.985 582 H GLY 79 H GLY 79 -0.297 -6.372 -15.457 583 HA2 GLY 79 HA2 GLY 79 2.092 -5.188 -15.524 584 HA3 GLY 79 HA3 GLY 79 2.208 -6.250 -16.918 585 H GLY 80 H GLY 80 0.343 -6.081 -18.477 586 HA2 GLY 80 HA2 GLY 80 0.029 -3.245 -19.088 587 HA3 GLY 80 HA3 GLY 80 -0.269 -4.589 -20.180 588 H VAL 81 H VAL 81 -1.524 -3.113 -17.211 589 HA VAL 81 HA VAL 81 -4.242 -3.730 -18.175 590 HB VAL 81 HB VAL 81 -3.492 -3.479 -15.262 591 HG11 VAL 81 HG11 VAL 81 -5.941 -4.608 -16.612 592 HG12 VAL 81 HG12 VAL 81 -5.838 -3.054 -15.784 593 HG13 VAL 81 HG13 VAL 81 -5.654 -4.553 -14.873 594 HG21 VAL 81 HG21 VAL 81 -3.626 -5.927 -15.122 595 HG22 VAL 81 HG22 VAL 81 -2.313 -5.408 -16.179 596 HG23 VAL 81 HG23 VAL 81 -3.819 -6.009 -16.873 597 H GLU 82 H GLU 82 -5.835 -2.155 -17.684 598 HA GLU 82 HA GLU 82 -4.733 0.536 -17.251 599 HB2 GLU 82 HB2 GLU 82 -5.114 0.066 -19.657 600 HB3 GLU 82 HB3 GLU 82 -6.802 -0.272 -19.308 601 HG2 GLU 82 HG2 GLU 82 -7.146 2.021 -18.617 602 HG3 GLU 82 HG3 GLU 82 -5.436 2.374 -18.870 603 H GLY 83 H GLY 83 -6.368 2.124 -16.546 604 HA2 GLY 83 HA2 GLY 83 -8.252 0.825 -14.724 605 HA3 GLY 83 HA3 GLY 83 -7.697 2.490 -14.624 606 H SER 84 H SER 84 -10.338 1.946 -14.355 607 HA SER 84 HA SER 84 -11.454 3.345 -16.627 608 HB2 SER 84 HB2 SER 84 -11.620 0.888 -17.185 609 HB3 SER 84 HB3 SER 84 -12.652 0.698 -15.768 610 HG SER 84 HG SER 84 -13.175 1.910 -18.226 611 H GLY 85 H GLY 85 -11.977 5.034 -15.281 612 HA2 GLY 85 HA2 GLY 85 -13.702 6.127 -14.126 613 HA3 GLY 85 HA3 GLY 85 -14.315 4.566 -13.603 614 H ARG 86 H ARG 86 -14.163 4.250 -11.501 615 HA ARG 86 HA ARG 86 -12.543 5.921 -9.853 616 HB2 ARG 86 HB2 ARG 86 -13.397 4.477 -7.990 617 HB3 ARG 86 HB3 ARG 86 -14.638 5.240 -8.973 618 HG2 ARG 86 HG2 ARG 86 -14.945 3.126 -10.191 619 HG3 ARG 86 HG3 ARG 86 -13.739 2.370 -9.146 620 HD2 ARG 86 HD2 ARG 86 -15.101 2.684 -7.217 621 HD3 ARG 86 HD3 ARG 86 -16.223 3.711 -8.105 622 HE ARG 86 HE ARG 86 -15.923 0.935 -8.988 623 HH11 ARG 86 HH11 ARG 86 -17.804 3.349 -7.263 624 HH12 ARG 86 HH12 ARG 86 -19.286 2.437 -7.342 625 HH21 ARG 86 HH21 ARG 86 -17.882 -0.259 -9.111 626 HH22 ARG 86 HH22 ARG 86 -19.326 0.398 -8.392 627 H VAL 87 H VAL 87 -11.833 3.098 -11.548 628 HA VAL 87 HA VAL 87 -9.581 2.525 -9.768 629 HB VAL 87 HB VAL 87 -10.866 0.556 -10.390 630 HG11 VAL 87 HG11 VAL 87 -11.774 1.320 -12.511 631 HG12 VAL 87 HG12 VAL 87 -11.004 -0.259 -12.670 632 HG13 VAL 87 HG13 VAL 87 -10.178 1.189 -13.246 633 HG21 VAL 87 HG21 VAL 87 -8.150 0.661 -11.683 634 HG22 VAL 87 HG22 VAL 87 -9.040 -0.819 -11.327 635 HG23 VAL 87 HG23 VAL 87 -8.516 0.233 -10.011 636 H VAL 88 H VAL 88 -7.659 3.317 -10.237 637 HA VAL 88 HA VAL 88 -7.159 4.222 -12.999 638 HB VAL 88 HB VAL 88 -5.595 5.892 -12.063 639 HG11 VAL 88 HG11 VAL 88 -8.402 6.082 -10.974 640 HG12 VAL 88 HG12 VAL 88 -7.877 6.550 -12.592 641 HG13 VAL 88 HG13 VAL 88 -7.286 7.432 -11.184 642 HG21 VAL 88 HG21 VAL 88 -6.673 4.993 -9.391 643 HG22 VAL 88 HG22 VAL 88 -5.647 6.403 -9.660 644 HG23 VAL 88 HG23 VAL 88 -5.022 4.784 -9.975 645 H THR 89 H THR 89 -5.078 3.881 -13.862 646 HA THR 89 HA THR 89 -3.648 1.693 -12.542 647 HB THR 89 HB THR 89 -4.190 1.032 -14.729 648 HG1 THR 89 HG1 THR 89 -2.213 0.640 -15.586 649 HG21 THR 89 HG21 THR 89 -3.133 3.673 -15.734 650 HG22 THR 89 HG22 THR 89 -4.833 3.215 -15.624 651 HG23 THR 89 HG23 THR 89 -3.761 2.366 -16.737 652 H GLY 90 H GLY 90 -1.336 1.685 -12.616 653 HA2 GLY 90 HA2 GLY 90 0.266 3.895 -13.219 654 HA3 GLY 90 HA3 GLY 90 -0.260 4.080 -11.551 655 H LEU 91 H LEU 91 1.663 3.751 -10.552 656 HA LEU 91 HA LEU 91 2.617 1.020 -10.497 657 HB2 LEU 91 HB2 LEU 91 4.901 1.492 -10.985 658 HB3 LEU 91 HB3 LEU 91 3.943 2.135 -12.301 659 HG LEU 91 HG LEU 91 5.009 3.843 -10.052 660 HD11 LEU 91 HD11 LEU 91 6.744 4.546 -11.640 661 HD12 LEU 91 HD12 LEU 91 6.192 3.312 -12.773 662 HD13 LEU 91 HD13 LEU 91 6.879 2.839 -11.219 663 HD21 LEU 91 HD21 LEU 91 4.593 5.677 -11.613 664 HD22 LEU 91 HD22 LEU 91 3.111 4.789 -11.257 665 HD23 LEU 91 HD23 LEU 91 3.948 4.534 -12.789 666 H THR 92 H THR 92 4.533 0.940 -8.872 667 HA THR 92 HA THR 92 3.531 2.034 -6.420 668 HB THR 92 HB THR 92 5.643 0.814 -5.531 669 HG1 THR 92 HG1 THR 92 6.817 -0.222 -6.977 670 HG21 THR 92 HG21 THR 92 3.386 -0.072 -5.284 671 HG22 THR 92 HG22 THR 92 4.507 -1.369 -5.702 672 HG23 THR 92 HG23 THR 92 3.435 -0.699 -6.932 673 HA PRO 93 HA PRO 93 6.045 5.639 -5.954 674 HB2 PRO 93 HB2 PRO 93 6.799 5.322 -3.305 675 HB3 PRO 93 HB3 PRO 93 5.278 6.038 -3.846 676 HG2 PRO 93 HG2 PRO 93 5.839 3.255 -2.912 677 HG3 PRO 93 HG3 PRO 93 4.429 4.284 -2.592 678 HD2 PRO 93 HD2 PRO 93 4.325 2.302 -4.387 679 HD3 PRO 93 HD3 PRO 93 3.482 3.841 -4.663 680 H SER 94 H SER 94 8.018 5.866 -6.742 681 HA SER 94 HA SER 94 10.010 3.798 -6.201 682 HB2 SER 94 HB2 SER 94 10.119 6.014 -8.258 683 HB3 SER 94 HB3 SER 94 11.109 4.552 -8.200 684 HG SER 94 HG SER 94 8.442 3.994 -8.192 685 H GLY 95 H GLY 95 11.830 4.210 -5.066 686 HA2 GLY 95 HA2 GLY 95 13.558 5.991 -4.617 687 HA3 GLY 95 HA3 GLY 95 12.192 6.975 -4.104 688 H LYS 96 H LYS 96 13.484 7.099 -2.098 689 HA LYS 96 HA LYS 96 13.563 4.696 -0.471 690 HB2 LYS 96 HB2 LYS 96 14.575 7.498 -0.128 691 HB3 LYS 96 HB3 LYS 96 14.397 6.461 1.277 692 HG2 LYS 96 HG2 LYS 96 16.673 6.419 0.450 693 HG3 LYS 96 HG3 LYS 96 15.917 4.836 0.287 694 HD2 LYS 96 HD2 LYS 96 15.638 5.113 -2.052 695 HD3 LYS 96 HD3 LYS 96 16.060 6.823 -1.964 696 HE2 LYS 96 HE2 LYS 96 18.334 6.271 -1.368 697 HE3 LYS 96 HE3 LYS 96 17.929 4.557 -1.291 698 HZ1 LYS 96 HZ1 LYS 96 17.566 6.113 -3.773 699 HZ2 LYS 96 HZ2 LYS 96 17.691 4.427 -3.580 700 HZ3 LYS 96 HZ3 LYS 96 19.060 5.411 -3.381 701 H ALA 97 H ALA 97 12.340 4.312 1.312 702 HA ALA 97 HA ALA 97 10.322 6.303 2.062 703 HB1 ALA 97 HB1 ALA 97 9.721 3.390 1.543 704 HB2 ALA 97 HB2 ALA 97 9.213 4.750 0.541 705 HB3 ALA 97 HB3 ALA 97 8.588 4.582 2.181 706 H ALA 98 H ALA 98 9.846 6.365 4.216 707 HA ALA 98 HA ALA 98 11.571 4.851 5.990 708 HB1 ALA 98 HB1 ALA 98 9.504 6.970 6.591 709 HB2 ALA 98 HB2 ALA 98 11.240 7.232 6.419 710 HB3 ALA 98 HB3 ALA 98 10.622 6.266 7.759 711 H SER 99 H SER 99 10.960 2.844 6.418 712 HA SER 99 HA SER 99 8.085 2.229 6.549 713 HB2 SER 99 HB2 SER 99 10.408 0.378 5.979 714 HB3 SER 99 HB3 SER 99 8.695 -0.030 5.888 715 HG SER 99 HG SER 99 8.479 1.435 4.174 716 H SER 100 H SER 100 7.268 1.045 8.244 717 HA SER 100 HA SER 100 9.138 -0.189 10.112 718 HB2 SER 100 HB2 SER 100 7.712 0.626 12.034 719 HB3 SER 100 HB3 SER 100 8.646 1.885 11.225 720 HG SER 100 HG SER 100 6.275 2.221 11.699 721 H LEU 101 H LEU 101 8.564 -2.269 10.408 722 HA LEU 101 HA LEU 101 5.870 -3.017 9.574 723 HB2 LEU 101 HB2 LEU 101 6.633 -5.267 9.380 724 HB3 LEU 101 HB3 LEU 101 7.785 -4.227 8.578 725 HG LEU 101 HG LEU 101 9.105 -4.418 10.838 726 HD11 LEU 101 HD11 LEU 101 7.404 -6.909 10.894 727 HD12 LEU 101 HD12 LEU 101 7.398 -5.611 12.088 728 HD13 LEU 101 HD13 LEU 101 8.832 -6.620 11.890 729 HD21 LEU 101 HD21 LEU 101 10.256 -6.393 9.943 730 HD22 LEU 101 HD22 LEU 101 9.910 -5.199 8.691 731 HD23 LEU 101 HD23 LEU 101 8.918 -6.651 8.823 732 H TYR 102 H TYR 102 4.472 -4.219 10.869 733 HA TYR 102 HA TYR 102 5.191 -4.374 13.687 734 HB2 TYR 102 HB2 TYR 102 3.078 -3.335 14.372 735 HB3 TYR 102 HB3 TYR 102 4.097 -2.229 13.464 736 HD1 TYR 102 HD1 TYR 102 3.477 -1.631 11.117 737 HD2 TYR 102 HD2 TYR 102 0.912 -3.944 13.602 738 HE1 TYR 102 HE1 TYR 102 1.578 -1.100 9.643 739 HE2 TYR 102 HE2 TYR 102 -0.988 -3.424 12.133 740 HH TYR 102 HH TYR 102 -0.593 -1.817 9.068 741 H ILE 103 H ILE 103 4.386 -6.006 14.790 742 HA ILE 103 HA ILE 103 2.051 -7.417 13.743 743 HB ILE 103 HB ILE 103 3.067 -9.487 14.906 744 HG12 ILE 103 HG12 ILE 103 5.075 -8.095 15.738 745 HG13 ILE 103 HG13 ILE 103 5.382 -9.709 15.110 746 HG21 ILE 103 HG21 ILE 103 4.099 -10.214 12.808 747 HG22 ILE 103 HG22 ILE 103 4.070 -8.545 12.238 748 HG23 ILE 103 HG23 ILE 103 2.557 -9.392 12.562 749 HD11 ILE 103 HD11 ILE 103 6.110 -8.746 12.991 750 HD12 ILE 103 HD12 ILE 103 7.048 -8.111 14.343 751 HD13 ILE 103 HD13 ILE 103 5.782 -7.127 13.608 752 H GLY 104 H GLY 104 0.611 -8.110 15.291 753 HA2 GLY 104 HA2 GLY 104 0.377 -8.405 17.825 754 HA3 GLY 104 HA3 GLY 104 0.982 -6.750 17.877 755 HA PRO 105 HA PRO 105 -3.653 -6.422 18.002 756 HB2 PRO 105 HB2 PRO 105 -2.694 -3.703 18.775 757 HB3 PRO 105 HB3 PRO 105 -3.999 -4.675 19.465 758 HG2 PRO 105 HG2 PRO 105 -1.664 -4.452 20.725 759 HG3 PRO 105 HG3 PRO 105 -2.544 -5.991 20.703 760 HD2 PRO 105 HD2 PRO 105 -0.116 -5.171 19.185 761 HD3 PRO 105 HD3 PRO 105 -0.563 -6.764 19.827 762 H TYR 106 H TYR 106 -4.362 -6.329 15.945 763 HA TYR 106 HA TYR 106 -3.299 -4.268 14.170 764 HB2 TYR 106 HB2 TYR 106 -3.360 -6.516 13.267 765 HB3 TYR 106 HB3 TYR 106 -5.073 -6.662 13.643 766 HD1 TYR 106 HD2 TYR 106 -2.761 -4.477 11.667 767 HD2 TYR 106 HD1 TYR 106 -6.592 -6.307 11.945 768 HE1 TYR 106 HE2 TYR 106 -3.331 -3.612 9.436 769 HE2 TYR 106 HE1 TYR 106 -7.171 -5.453 9.715 770 HH TYR 106 HH TYR 106 -4.818 -3.975 7.647 771 H GLY 107 H GLY 107 -4.429 -2.607 13.406 772 HA2 GLY 107 HA2 GLY 107 -6.710 -1.685 12.926 773 HA3 GLY 107 HA3 GLY 107 -7.120 -2.218 14.554 774 H GLU 108 H GLU 108 -4.868 -1.516 15.931 775 HA GLU 108 HA GLU 108 -5.030 1.396 15.898 776 HB2 GLU 108 HB2 GLU 108 -5.389 0.219 18.040 777 HB3 GLU 108 HB3 GLU 108 -3.780 -0.476 17.924 778 HG2 GLU 108 HG2 GLU 108 -2.786 1.723 18.109 779 HG3 GLU 108 HG3 GLU 108 -4.386 2.464 18.127 780 H ILE 109 H ILE 109 -3.793 1.652 13.990 781 HA ILE 109 HA ILE 109 -1.089 0.702 13.842 782 HB ILE 109 HB ILE 109 -2.543 1.084 11.841 783 HG12 ILE 109 HG12 ILE 109 0.011 2.701 11.737 784 HG13 ILE 109 HG13 ILE 109 -0.020 0.941 11.772 785 HG21 ILE 109 HG21 ILE 109 -3.557 3.189 12.524 786 HG22 ILE 109 HG22 ILE 109 -2.774 3.344 10.951 787 HG23 ILE 109 HG23 ILE 109 -1.995 3.995 12.393 788 HD11 ILE 109 HD11 ILE 109 -1.234 2.691 9.648 789 HD12 ILE 109 HD12 ILE 109 -1.280 0.928 9.681 790 HD13 ILE 109 HD13 ILE 109 0.262 1.767 9.514 791 H GLU 110 H GLU 110 -2.594 3.204 15.446 792 HA GLU 110 HA GLU 110 -0.969 5.408 15.377 793 HB2 GLU 110 HB2 GLU 110 -3.052 5.196 16.686 794 HB3 GLU 110 HB3 GLU 110 -2.223 4.146 17.824 795 HG2 GLU 110 HG2 GLU 110 -2.416 6.352 18.742 796 HG3 GLU 110 HG3 GLU 110 -0.722 6.001 18.406 797 H ALA 111 H ALA 111 -0.484 2.443 17.253 798 HA ALA 111 HA ALA 111 1.648 3.288 18.832 799 HB1 ALA 111 HB1 ALA 111 2.096 0.927 19.216 800 HB2 ALA 111 HB2 ALA 111 1.083 0.497 17.838 801 HB3 ALA 111 HB3 ALA 111 0.364 1.252 19.260 802 H VAL 112 H VAL 112 1.742 1.556 15.712 803 HA VAL 112 HA VAL 112 4.615 1.532 15.707 804 HB VAL 112 HB VAL 112 3.362 -0.310 14.703 805 HG11 VAL 112 HG11 VAL 112 2.479 1.720 12.664 806 HG12 VAL 112 HG12 VAL 112 1.457 0.874 13.827 807 HG13 VAL 112 HG13 VAL 112 2.249 -0.023 12.531 808 HG21 VAL 112 HG21 VAL 112 4.639 -0.508 12.622 809 HG22 VAL 112 HG22 VAL 112 5.631 0.111 13.942 810 HG23 VAL 112 HG23 VAL 112 5.027 1.211 12.702 811 H TYR 113 H TYR 113 2.091 3.469 14.177 812 HA TYR 113 HA TYR 113 3.769 4.823 12.350 813 HB2 TYR 113 HB2 TYR 113 1.428 4.956 11.956 814 HB3 TYR 113 HB3 TYR 113 1.112 5.546 13.585 815 HD1 TYR 113 HD1 TYR 113 2.839 6.496 10.415 816 HD2 TYR 113 HD2 TYR 113 0.926 7.829 13.974 817 HE1 TYR 113 HE1 TYR 113 2.977 8.817 9.615 818 HE2 TYR 113 HE2 TYR 113 1.050 10.152 13.179 819 HH TYR 113 HH TYR 113 2.445 11.480 11.631 820 H ASP 114 H ASP 114 2.865 5.436 15.683 821 HA ASP 114 HA ASP 114 3.851 8.010 16.001 822 HB2 ASP 114 HB2 ASP 114 2.510 6.730 17.672 823 HB3 ASP 114 HB3 ASP 114 3.950 5.791 18.053 824 H ALA 115 H ALA 115 5.537 4.925 16.516 825 HA ALA 115 HA ALA 115 8.016 6.046 17.250 826 HB1 ALA 115 HB1 ALA 115 7.406 3.742 17.765 827 HB2 ALA 115 HB2 ALA 115 8.924 3.810 16.870 828 HB3 ALA 115 HB3 ALA 115 7.435 3.342 16.048 829 H LEU 116 H LEU 116 6.651 5.131 14.136 830 HA LEU 116 HA LEU 116 9.058 5.453 12.653 831 HB2 LEU 116 HB2 LEU 116 7.141 4.106 11.876 832 HB3 LEU 116 HB3 LEU 116 6.188 5.568 11.718 833 HG LEU 116 HG LEU 116 7.759 6.383 9.991 834 HD11 LEU 116 HD11 LEU 116 9.384 4.837 9.025 835 HD12 LEU 116 HD12 LEU 116 9.000 3.648 10.270 836 HD13 LEU 116 HD13 LEU 116 9.752 5.181 10.715 837 HD21 LEU 116 HD21 LEU 116 7.038 4.849 8.232 838 HD22 LEU 116 HD22 LEU 116 5.724 5.200 9.353 839 HD23 LEU 116 HD23 LEU 116 6.579 3.661 9.451 840 H MET 117 H MET 117 6.303 7.550 13.370 841 HA MET 117 HA MET 117 7.022 9.672 11.668 842 HB2 MET 117 HB2 MET 117 4.773 9.432 12.636 843 HB3 MET 117 HB3 MET 117 5.424 9.772 14.234 844 HG2 MET 117 HG2 MET 117 6.070 12.009 13.503 845 HG3 MET 117 HG3 MET 117 5.437 11.668 11.894 846 HE1 MET 117 HE1 MET 117 2.800 11.860 15.677 847 HE2 MET 117 HE2 MET 117 4.547 12.100 15.694 848 HE3 MET 117 HE3 MET 117 3.879 10.515 15.305 849 H LYS 118 H LYS 118 7.728 9.120 15.123 850 HA LYS 118 HA LYS 118 9.121 11.568 15.401 851 HB2 LYS 118 HB2 LYS 118 9.781 10.755 17.560 852 HB3 LYS 118 HB3 LYS 118 8.105 10.340 17.286 853 HG2 LYS 118 HG2 LYS 118 8.832 8.395 18.188 854 HG3 LYS 118 HG3 LYS 118 9.177 8.057 16.491 855 HD2 LYS 118 HD2 LYS 118 11.495 8.690 16.798 856 HD3 LYS 118 HD3 LYS 118 11.173 9.172 18.464 857 HE2 LYS 118 HE2 LYS 118 10.540 6.837 18.972 858 HE3 LYS 118 HE3 LYS 118 10.972 6.390 17.323 859 HZ1 LYS 118 HZ1 LYS 118 12.722 5.973 19.034 860 HZ2 LYS 118 HZ2 LYS 118 12.883 7.654 19.212 861 HZ3 LYS 118 HZ3 LYS 118 13.232 6.921 17.725 862 H TRP 119 H TRP 119 9.994 8.450 14.206 863 HA TRP 119 HA TRP 119 12.816 8.724 14.497 864 HB2 TRP 119 HB2 TRP 119 11.741 6.528 14.239 865 HB3 TRP 119 HB3 TRP 119 11.223 6.968 12.614 866 HD1 TRP 119 HD1 TRP 119 14.560 6.543 14.555 867 HE1 TRP 119 HE1 TRP 119 16.323 5.627 12.915 868 HE3 TRP 119 HE3 TRP 119 11.743 6.512 10.283 869 HZ2 TRP 119 HZ2 TRP 119 16.486 4.970 10.172 870 HZ3 TRP 119 HZ3 TRP 119 12.783 5.723 8.193 871 HH2 TRP 119 HH2 TRP 119 15.102 4.970 8.142 872 H VAL 120 H VAL 120 10.565 9.240 11.786 873 HA VAL 120 HA VAL 120 12.573 10.083 9.961 874 HB VAL 120 HB VAL 120 10.345 9.252 9.266 875 HG11 VAL 120 HG11 VAL 120 8.427 10.781 9.240 876 HG12 VAL 120 HG12 VAL 120 9.353 11.926 10.213 877 HG13 VAL 120 HG13 VAL 120 8.930 10.346 10.873 878 HG21 VAL 120 HG21 VAL 120 10.018 10.825 7.413 879 HG22 VAL 120 HG22 VAL 120 11.723 10.457 7.678 880 HG23 VAL 120 HG23 VAL 120 11.053 11.991 8.236 881 H ASP 121 H ASP 121 10.542 11.708 12.273 882 HA ASP 121 HA ASP 121 11.170 14.372 11.542 883 HB2 ASP 121 HB2 ASP 121 9.240 13.860 12.941 884 HB3 ASP 121 HB3 ASP 121 10.290 13.224 14.200 885 H ASP 122 H ASP 122 12.538 12.171 13.972 886 HA ASP 122 HA ASP 122 14.494 13.930 14.980 887 HB2 ASP 122 HB2 ASP 122 13.849 11.879 16.153 888 HB3 ASP 122 HB3 ASP 122 14.516 10.904 14.849 889 H ASN 123 H ASN 123 14.525 11.672 12.280 890 HA ASN 123 HA ASN 123 17.295 11.976 11.688 891 HB2 ASN 123 HB2 ASN 123 14.956 10.725 10.362 892 HB3 ASN 123 HB3 ASN 123 16.325 11.145 9.334 893 HD21 ASN 123 HD21 ASN 123 15.230 9.206 12.005 894 HD22 ASN 123 HD22 ASN 123 16.556 8.093 11.997 895 H GLY 124 H GLY 124 14.431 13.753 10.826 896 HA2 GLY 124 HA2 GLY 124 14.443 15.994 10.142 897 HA3 GLY 124 HA3 GLY 124 16.137 15.831 9.708 898 H PHE 125 H PHE 125 13.123 14.202 8.714 899 HA PHE 125 HA PHE 125 13.800 14.889 5.944 900 HB2 PHE 125 HB2 PHE 125 12.412 12.462 7.072 901 HB3 PHE 125 HB3 PHE 125 12.402 12.868 5.370 902 HD1 PHE 125 HD1 PHE 125 14.684 13.109 4.212 903 HD2 PHE 125 HD2 PHE 125 14.120 11.181 7.961 904 HE1 PHE 125 HE1 PHE 125 16.810 11.907 3.911 905 HE2 PHE 125 HE2 PHE 125 16.245 9.981 7.669 906 HZ PHE 125 HZ PHE 125 17.594 10.345 5.640 907 H ASP 126 H ASP 126 11.827 15.014 4.528 908 HA ASP 126 HA ASP 126 9.822 16.676 5.781 909 HB2 ASP 126 HB2 ASP 126 9.983 15.712 2.915 910 HB3 ASP 126 HB3 ASP 126 8.938 16.987 3.525 911 H LEU 127 H LEU 127 7.544 16.259 5.645 912 HA LEU 127 HA LEU 127 6.835 13.439 5.163 913 HB2 LEU 127 HB2 LEU 127 5.726 15.341 7.231 914 HB3 LEU 127 HB3 LEU 127 4.909 13.864 6.769 915 HG LEU 127 HG LEU 127 7.078 12.665 7.469 916 HD11 LEU 127 HD11 LEU 127 7.477 15.285 8.903 917 HD12 LEU 127 HD12 LEU 127 8.500 14.641 7.619 918 HD13 LEU 127 HD13 LEU 127 8.399 13.804 9.169 919 HD21 LEU 127 HD21 LEU 127 5.006 12.481 8.703 920 HD22 LEU 127 HD22 LEU 127 5.319 14.019 9.506 921 HD23 LEU 127 HD23 LEU 127 6.361 12.633 9.821 922 H SER 128 H SER 128 5.314 13.103 3.646 923 HA SER 128 HA SER 128 4.251 15.421 2.269 924 HB2 SER 128 HB2 SER 128 3.898 12.482 1.642 925 HB3 SER 128 HB3 SER 128 3.527 13.835 0.571 926 HG SER 128 HG SER 128 6.036 14.097 1.427 927 H GLY 129 H GLY 129 3.172 13.263 4.679 928 HA2 GLY 129 HA2 GLY 129 1.189 13.665 5.921 929 HA3 GLY 129 HA3 GLY 129 0.501 14.457 4.511 930 H GLU 130 H GLU 130 1.879 11.756 3.339 931 HA GLU 130 HA GLU 130 -0.546 10.150 3.742 932 HB2 GLU 130 HB2 GLU 130 -0.124 9.310 1.390 933 HB3 GLU 130 HB3 GLU 130 -0.678 10.972 1.529 934 HG2 GLU 130 HG2 GLU 130 1.772 11.635 1.391 935 HG3 GLU 130 HG3 GLU 130 2.074 9.975 0.882 936 H ALA 131 H ALA 131 -0.309 7.903 3.806 937 HA ALA 131 HA ALA 131 2.451 6.982 4.281 938 HB1 ALA 131 HB1 ALA 131 -0.037 6.163 5.774 939 HB2 ALA 131 HB2 ALA 131 1.240 7.213 6.387 940 HB3 ALA 131 HB3 ALA 131 1.585 5.520 6.036 941 H TYR 132 H TYR 132 3.052 5.165 3.316 942 HA TYR 132 HA TYR 132 1.120 3.834 1.559 943 HB2 TYR 132 HB2 TYR 132 3.143 4.766 0.515 944 HB3 TYR 132 HB3 TYR 132 4.150 3.816 1.596 945 HD1 TYR 132 HD2 TYR 132 1.550 3.431 -1.054 946 HD2 TYR 132 HD1 TYR 132 4.924 1.747 0.914 947 HE1 TYR 132 HE2 TYR 132 1.611 1.619 -2.718 948 HE2 TYR 132 HE1 TYR 132 4.997 -0.062 -0.745 949 HH TYR 132 HH TYR 132 3.445 -1.186 -2.313 950 H GLU 133 H GLU 133 0.222 2.090 2.425 951 HA GLU 133 HA GLU 133 1.735 0.481 4.362 952 HB2 GLU 133 HB2 GLU 133 -1.010 1.375 4.166 953 HB3 GLU 133 HB3 GLU 133 -0.943 -0.379 4.277 954 HG2 GLU 133 HG2 GLU 133 0.563 1.374 6.179 955 HG3 GLU 133 HG3 GLU 133 -1.135 0.962 6.432 956 H ILE 134 H ILE 134 1.719 -1.801 4.189 957 HA ILE 134 HA ILE 134 0.867 -2.860 1.581 958 HB ILE 134 HB ILE 134 2.928 -4.322 1.583 959 HG12 ILE 134 HG12 ILE 134 3.940 -2.226 3.514 960 HG13 ILE 134 HG13 ILE 134 3.629 -3.916 3.903 961 HG21 ILE 134 HG21 ILE 134 4.328 -2.604 0.521 962 HG22 ILE 134 HG22 ILE 134 3.281 -1.354 1.193 963 HG23 ILE 134 HG23 ILE 134 2.643 -2.500 0.013 964 HD11 ILE 134 HD11 ILE 134 6.001 -3.492 3.567 965 HD12 ILE 134 HD12 ILE 134 5.670 -2.908 1.935 966 HD13 ILE 134 HD13 ILE 134 5.374 -4.598 2.344 967 H TYR 135 H TYR 135 -0.360 -4.597 1.777 968 HA TYR 135 HA TYR 135 -0.187 -6.101 4.311 969 HB2 TYR 135 HB2 TYR 135 -2.593 -5.747 2.503 970 HB3 TYR 135 HB3 TYR 135 -2.559 -6.666 4.007 971 HD1 TYR 135 HD2 TYR 135 -2.241 -5.479 6.169 972 HD2 TYR 135 HD1 TYR 135 -2.811 -3.366 2.521 973 HE1 TYR 135 HE2 TYR 135 -2.765 -3.441 7.437 974 HE2 TYR 135 HE1 TYR 135 -3.324 -1.317 3.782 975 HH TYR 135 HH TYR 135 -2.637 -0.959 7.038 976 H LEU 136 H LEU 136 1.404 -7.467 3.529 977 HA LEU 136 HA LEU 136 0.894 -8.894 1.053 978 HB2 LEU 136 HB2 LEU 136 3.262 -9.751 1.380 979 HB3 LEU 136 HB3 LEU 136 3.054 -8.060 0.999 980 HG LEU 136 HG LEU 136 4.851 -8.569 2.667 981 HD11 LEU 136 HD11 LEU 136 3.898 -6.344 2.506 982 HD12 LEU 136 HD12 LEU 136 4.317 -6.738 4.172 983 HD13 LEU 136 HD13 LEU 136 2.633 -6.791 3.650 984 HD21 LEU 136 HD21 LEU 136 4.226 -9.041 4.976 985 HD22 LEU 136 HD22 LEU 136 3.756 -10.354 3.896 986 HD23 LEU 136 HD23 LEU 136 2.541 -9.220 4.485 987 H ASP 137 H ASP 137 2.045 -11.219 1.174 988 HA ASP 137 HA ASP 137 1.634 -13.398 1.648 989 HB2 ASP 137 HB2 ASP 137 1.411 -12.345 4.477 990 HB3 ASP 137 HB3 ASP 137 1.505 -14.049 4.051 991 H ASN 138 H ASN 138 -0.125 -14.583 3.555 992 HA ASN 138 HA ASN 138 -2.700 -13.383 2.816 993 HB2 ASN 138 HB2 ASN 138 -3.695 -15.501 2.370 994 HB3 ASN 138 HB3 ASN 138 -2.198 -15.439 1.450 995 HD21 ASN 138 HD21 ASN 138 -3.890 -17.640 2.554 996 HD22 ASN 138 HD22 ASN 138 -2.794 -18.656 3.433 997 HA PRO 139 HA PRO 139 -3.453 -13.766 7.139 998 HB2 PRO 139 HB2 PRO 139 -5.976 -12.894 7.203 999 HB3 PRO 139 HB3 PRO 139 -4.654 -11.830 6.709 1000 HG2 PRO 139 HG2 PRO 139 -6.693 -13.219 5.038 1001 HG3 PRO 139 HG3 PRO 139 -5.959 -11.621 4.819 1002 HD2 PRO 139 HD2 PRO 139 -5.208 -13.986 3.506 1003 HD3 PRO 139 HD3 PRO 139 -4.274 -12.479 3.565 1004 H ALA 140 H ALA 140 -5.553 -14.389 8.506 1005 HA ALA 140 HA ALA 140 -7.174 -15.794 9.221 1006 HB1 ALA 140 HB1 ALA 140 -8.247 -17.388 7.743 1007 HB2 ALA 140 HB2 ALA 140 -6.994 -17.134 6.529 1008 HB3 ALA 140 HB3 ALA 140 -8.093 -15.820 6.947 1009 H GLU 141 H GLU 141 -4.676 -17.463 7.339 1010 HA GLU 141 HA GLU 141 -4.869 -19.764 9.106 1011 HB2 GLU 141 HB2 GLU 141 -3.273 -20.847 7.656 1012 HB3 GLU 141 HB3 GLU 141 -4.525 -20.087 6.687 1013 HG2 GLU 141 HG2 GLU 141 -3.066 -18.312 6.057 1014 HG3 GLU 141 HG3 GLU 141 -1.835 -18.848 7.201 1015 H THR 142 H THR 142 -3.192 -16.886 9.078 1016 HA THR 142 HA THR 142 -1.313 -17.920 11.087 1017 HB THR 142 HB THR 142 -0.043 -17.438 9.052 1018 HG1 THR 142 HG1 THR 142 0.293 -15.589 11.192 1019 HG21 THR 142 HG21 THR 142 0.068 -15.196 8.108 1020 HG22 THR 142 HG22 THR 142 -1.120 -14.629 9.281 1021 HG23 THR 142 HG23 THR 142 -1.587 -15.808 8.056 1022 H ALA 143 H ALA 143 -4.015 -16.534 11.039 1023 HA ALA 143 HA ALA 143 -5.174 -15.051 12.307 1024 HB1 ALA 143 HB1 ALA 143 -4.143 -14.078 14.299 1025 HB2 ALA 143 HB2 ALA 143 -2.553 -14.590 13.732 1026 HB3 ALA 143 HB3 ALA 143 -3.764 -15.796 14.161 1027 HA PRO 144 HA PRO 144 -4.624 -11.196 10.245 1028 HB2 PRO 144 HB2 PRO 144 -6.208 -9.568 11.716 1029 HB3 PRO 144 HB3 PRO 144 -6.853 -10.827 10.658 1030 HG2 PRO 144 HG2 PRO 144 -6.483 -10.851 13.622 1031 HG3 PRO 144 HG3 PRO 144 -7.833 -11.471 12.655 1032 HD2 PRO 144 HD2 PRO 144 -5.856 -13.056 13.679 1033 HD3 PRO 144 HD3 PRO 144 -6.766 -13.448 12.209 1034 H ASP 145 H ASP 145 -4.180 -11.142 13.755 1035 HA ASP 145 HA ASP 145 -2.857 -8.585 13.735 1036 HB2 ASP 145 HB2 ASP 145 -3.081 -10.635 15.948 1037 HB3 ASP 145 HB3 ASP 145 -2.546 -8.970 16.138 1038 H GLN 146 H GLN 146 -1.868 -11.785 13.184 1039 HA GLN 146 HA GLN 146 0.868 -11.251 14.064 1040 HB2 GLN 146 HB2 GLN 146 -0.244 -13.410 14.663 1041 HB3 GLN 146 HB3 GLN 146 -0.283 -13.816 12.954 1042 HG2 GLN 146 HG2 GLN 146 2.130 -13.804 12.863 1043 HG3 GLN 146 HG3 GLN 146 2.214 -13.291 14.546 1044 HE21 GLN 146 HE21 GLN 146 3.293 -15.662 13.221 1045 HE22 GLN 146 HE22 GLN 146 2.650 -17.015 14.100 1046 H LEU 147 H LEU 147 -0.902 -10.583 11.461 1047 HA LEU 147 HA LEU 147 0.758 -11.407 9.308 1048 HB2 LEU 147 HB2 LEU 147 -1.232 -9.157 9.570 1049 HB3 LEU 147 HB3 LEU 147 -0.398 -9.537 8.076 1050 HG LEU 147 HG LEU 147 -2.263 -11.402 9.549 1051 HD11 LEU 147 HD11 LEU 147 -3.442 -9.503 8.573 1052 HD12 LEU 147 HD12 LEU 147 -3.795 -10.988 7.691 1053 HD13 LEU 147 HD13 LEU 147 -2.668 -9.812 7.018 1054 HD21 LEU 147 HD21 LEU 147 -0.928 -11.655 6.853 1055 HD22 LEU 147 HD22 LEU 147 -2.092 -12.786 7.545 1056 HD23 LEU 147 HD23 LEU 147 -0.514 -12.573 8.303 1057 H ARG 148 H ARG 148 2.643 -10.594 8.632 1058 HA ARG 148 HA ARG 148 3.832 -8.441 10.130 1059 HB2 ARG 148 HB2 ARG 148 5.197 -10.344 9.467 1060 HB3 ARG 148 HB3 ARG 148 4.848 -10.038 7.772 1061 HG2 ARG 148 HG2 ARG 148 6.152 -8.074 7.754 1062 HG3 ARG 148 HG3 ARG 148 6.262 -8.042 9.516 1063 HD2 ARG 148 HD2 ARG 148 8.329 -8.848 8.367 1064 HD3 ARG 148 HD3 ARG 148 7.654 -9.981 9.537 1065 HE ARG 148 HE ARG 148 6.697 -10.476 6.894 1066 HH11 ARG 148 HH11 ARG 148 9.416 -10.972 9.041 1067 HH12 ARG 148 HH12 ARG 148 9.958 -12.412 8.223 1068 HH21 ARG 148 HH21 ARG 148 7.384 -12.350 5.832 1069 HH22 ARG 148 HH22 ARG 148 8.801 -13.201 6.389 1070 H THR 149 H THR 149 3.145 -6.493 9.736 1071 HA THR 149 HA THR 149 2.468 -5.706 6.971 1072 HB THR 149 HB THR 149 1.429 -4.393 9.488 1073 HG1 THR 149 HG1 THR 149 0.904 -6.673 9.503 1074 HG21 THR 149 HG21 THR 149 -0.428 -3.766 8.004 1075 HG22 THR 149 HG22 THR 149 0.343 -4.629 6.674 1076 HG23 THR 149 HG23 THR 149 1.119 -3.205 7.367 1077 H ARG 150 H ARG 150 3.275 -3.701 6.236 1078 HA ARG 150 HA ARG 150 5.213 -2.424 8.038 1079 HB2 ARG 150 HB2 ARG 150 6.523 -3.915 6.687 1080 HB3 ARG 150 HB3 ARG 150 5.727 -3.372 5.217 1081 HG2 ARG 150 HG2 ARG 150 6.732 -1.139 5.542 1082 HG3 ARG 150 HG3 ARG 150 7.594 -1.765 6.949 1083 HD2 ARG 150 HD2 ARG 150 7.821 -2.983 4.208 1084 HD3 ARG 150 HD3 ARG 150 8.890 -1.703 4.776 1085 HE ARG 150 HE ARG 150 9.807 -3.198 6.367 1086 HH11 ARG 150 HH11 ARG 150 7.477 -4.748 4.236 1087 HH12 ARG 150 HH12 ARG 150 8.077 -6.348 4.540 1088 HH21 ARG 150 HH21 ARG 150 10.589 -5.273 6.752 1089 HH22 ARG 150 HH22 ARG 150 9.834 -6.656 6.001 1090 H VAL 151 H VAL 151 4.371 -0.458 8.304 1091 HA VAL 151 HA VAL 151 3.131 0.909 6.053 1092 HB VAL 151 HB VAL 151 1.962 1.049 8.184 1093 HG11 VAL 151 HG11 VAL 151 4.426 2.415 9.256 1094 HG12 VAL 151 HG12 VAL 151 3.874 0.797 9.687 1095 HG13 VAL 151 HG13 VAL 151 2.901 2.204 10.114 1096 HG21 VAL 151 HG21 VAL 151 1.765 2.946 6.685 1097 HG22 VAL 151 HG22 VAL 151 3.193 3.687 7.408 1098 HG23 VAL 151 HG23 VAL 151 1.726 3.483 8.366 1099 H SER 152 H SER 152 4.085 2.464 4.905 1100 HA SER 152 HA SER 152 6.698 3.476 5.839 1101 HB2 SER 152 HB2 SER 152 5.930 3.071 2.945 1102 HB3 SER 152 HB3 SER 152 7.540 3.336 3.616 1103 HG SER 152 HG SER 152 5.937 1.067 4.203 1104 H LEU 153 H LEU 153 6.665 5.641 6.146 1105 HA LEU 153 HA LEU 153 4.402 7.107 5.066 1106 HB2 LEU 153 HB2 LEU 153 5.218 8.999 6.424 1107 HB3 LEU 153 HB3 LEU 153 4.892 7.556 7.357 1108 HG LEU 153 HG LEU 153 7.456 7.150 7.189 1109 HD11 LEU 153 HD11 LEU 153 8.781 9.189 7.032 1110 HD12 LEU 153 HD12 LEU 153 7.328 10.117 6.661 1111 HD13 LEU 153 HD13 LEU 153 7.905 8.893 5.530 1112 HD21 LEU 153 HD21 LEU 153 6.257 7.660 9.250 1113 HD22 LEU 153 HD22 LEU 153 6.314 9.381 8.866 1114 HD23 LEU 153 HD23 LEU 153 7.806 8.501 9.195 1115 H MET 154 H MET 154 4.532 8.898 3.717 1116 HA MET 154 HA MET 154 6.695 8.793 1.830 1117 HB2 MET 154 HB2 MET 154 4.278 10.592 2.018 1118 HB3 MET 154 HB3 MET 154 5.454 10.666 0.713 1119 HG2 MET 154 HG2 MET 154 3.722 8.308 1.416 1120 HG3 MET 154 HG3 MET 154 3.497 9.404 0.053 1121 HE1 MET 154 HE1 MET 154 3.372 7.308 -1.555 1122 HE2 MET 154 HE2 MET 154 3.644 6.208 -0.204 1123 HE3 MET 154 HE3 MET 154 4.623 6.072 -1.664 1124 H LEU 155 H LEU 155 8.544 9.735 2.161 1125 HA LEU 155 HA LEU 155 8.633 12.219 3.731 1126 HB2 LEU 155 HB2 LEU 155 10.711 11.575 4.685 1127 HB3 LEU 155 HB3 LEU 155 9.615 10.224 4.885 1128 HG LEU 155 HG LEU 155 11.732 10.378 2.729 1129 HD11 LEU 155 HD11 LEU 155 12.774 10.321 4.922 1130 HD12 LEU 155 HD12 LEU 155 12.976 8.774 4.101 1131 HD13 LEU 155 HD13 LEU 155 11.776 8.944 5.382 1132 HD21 LEU 155 HD21 LEU 155 10.033 8.087 3.712 1133 HD22 LEU 155 HD22 LEU 155 11.315 7.977 2.505 1134 HD23 LEU 155 HD23 LEU 155 9.862 8.920 2.167 1135 H HIS 156 H HIS 156 10.454 13.617 3.260 1136 HA HIS 156 HA HIS 156 11.903 14.770 1.949 1137 HB2 HIS 156 HB2 HIS 156 13.158 12.807 1.465 1138 HB3 HIS 156 HB3 HIS 156 11.919 12.190 0.381 1139 HD1 HIS 156 HD1 HIS 156 12.160 12.725 -2.045 1140 HD2 HIS 156 HD2 HIS 156 14.608 15.089 0.355 1141 HE1 HIS 156 HE1 HIS 156 13.668 13.977 -3.628 1142 HE2 HIS 156 HE2 HIS 156 15.192 15.344 -2.155 1143 H GLU 157 H GLU 157 11.370 16.457 0.783 1144 HA GLU 157 HA GLU 157 10.723 17.714 -0.993 1145 HB2 GLU 157 HB2 GLU 157 11.398 15.887 -2.462 1146 HB3 GLU 157 HB3 GLU 157 9.848 15.097 -2.219 1147 HG2 GLU 157 HG2 GLU 157 8.704 16.856 -3.380 1148 HG3 GLU 157 HG3 GLU 157 10.189 17.801 -3.491 1149 H SER 158 H SER 158 8.269 15.158 -0.650 1150 HA SER 158 HA SER 158 6.061 15.201 -0.180 1151 HB2 SER 158 HB2 SER 158 6.602 18.023 0.770 1152 HB3 SER 158 HB3 SER 158 5.103 17.131 1.039 1153 HG SER 158 HG SER 158 6.255 16.728 2.832 1154 H LEU 159 H LEU 159 4.137 15.637 -1.213 1155 HA LEU 159 HA LEU 159 4.127 17.698 -3.277 1156 HB2 LEU 159 HB2 LEU 159 3.333 16.185 -4.976 1157 HB3 LEU 159 HB3 LEU 159 4.861 15.591 -4.359 1158 HG LEU 159 HG LEU 159 2.199 14.497 -3.445 1159 HD11 LEU 159 HD11 LEU 159 2.547 12.668 -5.011 1160 HD12 LEU 159 HD12 LEU 159 4.001 13.454 -5.626 1161 HD13 LEU 159 HD13 LEU 159 2.424 14.205 -5.866 1162 HD21 LEU 159 HD21 LEU 159 5.003 13.381 -3.320 1163 HD22 LEU 159 HD22 LEU 159 3.540 12.573 -2.758 1164 HD23 LEU 159 HD23 LEU 159 4.094 14.046 -1.963 1165 H GLU 160 H GLU 160 1.950 18.152 -4.046 1166 HA GLU 160 HA GLU 160 0.113 18.043 -1.839 1167 HB2 GLU 160 HB2 GLU 160 0.243 19.575 -4.389 1168 HB3 GLU 160 HB3 GLU 160 -1.309 19.412 -3.584 1169 HG2 GLU 160 HG2 GLU 160 -0.373 21.458 -2.880 1170 HG3 GLU 160 HG3 GLU 160 -0.243 20.342 -1.525 1171 H HIS 161 H HIS 161 -1.363 16.567 -1.586 1172 HA HIS 161 HA HIS 161 -2.823 15.618 -3.960 1173 HB2 HIS 161 HB2 HIS 161 -2.067 14.145 -1.448 1174 HB3 HIS 161 HB3 HIS 161 -3.520 13.690 -2.331 1175 HD1 HIS 161 HD1 HIS 161 -0.154 12.687 -2.041 1176 HD2 HIS 161 HD2 HIS 161 -2.711 13.307 -5.274 1177 HE1 HIS 161 HE1 HIS 161 0.830 11.391 -3.953 1178 HE2 HIS 161 HE2 HIS 161 -0.868 11.569 -5.808 1179 H HIS 162 H HIS 162 -5.185 15.085 -3.343 1180 HA HIS 162 HA HIS 162 -7.201 15.976 -2.775 1181 HB2 HIS 162 HB2 HIS 162 -6.472 15.298 -0.475 1182 HB3 HIS 162 HB3 HIS 162 -5.797 16.905 -0.252 1183 HD1 HIS 162 HD1 HIS 162 -7.473 18.856 0.154 1184 HD2 HIS 162 HD2 HIS 162 -9.257 15.117 -0.273 1185 HE1 HIS 162 HE1 HIS 162 -9.826 19.121 1.003 1186 HE2 HIS 162 HE2 HIS 162 -10.927 16.889 0.608 1187 H HIS 163 H HIS 163 -6.612 17.389 -4.607 1188 HA HIS 163 HA HIS 163 -6.499 19.387 -5.669 1189 HB2 HIS 163 HB2 HIS 163 -7.406 20.362 -2.967 1190 HB3 HIS 163 HB3 HIS 163 -7.092 21.476 -4.292 1191 HD1 HIS 163 HD1 HIS 163 -9.722 21.996 -3.885 1192 HD2 HIS 163 HD2 HIS 163 -8.779 18.322 -5.577 1193 HE1 HIS 163 HE1 HIS 163 -11.853 21.164 -4.919 1194 HE2 HIS 163 HE2 HIS 163 -11.319 18.819 -5.664 1195 H HIS 164 H HIS 164 -5.486 21.737 -5.340 1196 HA HIS 164 HA HIS 164 -3.233 21.960 -3.642 1197 HB2 HIS 164 HB2 HIS 164 -1.449 21.951 -5.329 1198 HB3 HIS 164 HB3 HIS 164 -2.219 20.377 -5.215 1199 HD1 HIS 164 HD1 HIS 164 -0.623 21.847 -7.685 1200 HD2 HIS 164 HD2 HIS 164 -4.668 20.932 -7.374 1201 HE1 HIS 164 HE1 HIS 164 -1.474 21.702 -10.049 1202 HE2 HIS 164 HE2 HIS 164 -3.868 20.934 -9.832 1203 H HIS 165 H HIS 165 -2.502 24.062 -3.570 1204 HA HIS 165 HA HIS 165 -4.450 25.915 -4.561 1205 HB2 HIS 165 HB2 HIS 165 -3.418 26.079 -2.296 1206 HB3 HIS 165 HB3 HIS 165 -1.896 26.526 -3.061 1207 HD1 HIS 165 HD1 HIS 165 -1.640 28.919 -3.873 1208 HD2 HIS 165 HD2 HIS 165 -5.448 28.053 -2.438 1209 HE1 HIS 165 HE1 HIS 165 -2.819 31.134 -3.691 1210 HE2 HIS 165 HE2 HIS 165 -5.178 30.565 -3.009 1211 H HIS 166 H HIS 166 -4.424 26.916 -6.405 1212 HA HIS 166 HA HIS 166 -1.843 27.661 -7.605 1213 HB2 HIS 166 HB2 HIS 166 -2.894 26.074 -9.078 1214 HB3 HIS 166 HB3 HIS 166 -4.445 26.891 -8.949 1215 HD1 HIS 166 HD1 HIS 166 -1.086 27.177 -10.640 1216 HD2 HIS 166 HD2 HIS 166 -4.805 29.047 -10.665 1217 HE1 HIS 166 HE1 HIS 166 -1.072 28.697 -12.642 1218 HE2 HIS 166 HE2 HIS 166 -3.294 29.890 -12.587 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -6.556 -6.426 21.642 2 H2 MET 1 H2 MET 1 -8.219 -6.246 21.909 3 H3 MET 1 H3 MET 1 -7.337 -7.408 22.776 4 HA MET 1 HA MET 1 -6.854 -4.498 22.957 5 HB2 MET 1 HB2 MET 1 -8.420 -6.312 24.807 6 HB3 MET 1 HB3 MET 1 -7.936 -4.668 25.197 7 HG2 MET 1 HG2 MET 1 -9.291 -3.817 23.367 8 HG3 MET 1 HG3 MET 1 -9.751 -5.462 22.932 9 HE1 MET 1 HE1 MET 1 -11.127 -7.076 24.584 10 HE2 MET 1 HE2 MET 1 -11.762 -6.554 26.146 11 HE3 MET 1 HE3 MET 1 -10.021 -6.720 25.907 12 H ASP 2 H ASP 2 -4.635 -4.715 23.003 13 HA ASP 2 HA ASP 2 -3.480 -5.497 25.495 14 HB2 ASP 2 HB2 ASP 2 -3.827 -7.664 23.945 15 HB3 ASP 2 HB3 ASP 2 -2.321 -7.085 23.248 16 H PHE 3 H PHE 3 -0.890 -5.665 24.943 17 HA PHE 3 HA PHE 3 -0.223 -3.718 22.856 18 HB2 PHE 3 HB2 PHE 3 -0.307 -2.581 25.127 19 HB3 PHE 3 HB3 PHE 3 1.040 -3.611 25.602 20 HD1 PHE 3 HD2 PHE 3 0.030 -1.148 23.007 21 HD2 PHE 3 HD1 PHE 3 3.225 -2.907 25.203 22 HE1 PHE 3 HE2 PHE 3 1.599 0.471 22.018 23 HE2 PHE 3 HE1 PHE 3 4.797 -1.294 24.217 24 HZ PHE 3 HZ PHE 3 3.985 0.399 22.620 25 H GLU 4 H GLU 4 0.060 -6.018 22.069 26 HA GLU 4 HA GLU 4 2.624 -7.154 22.907 27 HB2 GLU 4 HB2 GLU 4 1.874 -9.207 21.781 28 HB3 GLU 4 HB3 GLU 4 0.754 -8.697 23.036 29 HG2 GLU 4 HG2 GLU 4 -0.782 -7.849 21.403 30 HG3 GLU 4 HG3 GLU 4 0.369 -8.153 20.101 31 H CYS 5 H CYS 5 3.147 -8.641 20.595 32 HA CYS 5 HA CYS 5 4.031 -8.562 18.508 33 HB2 CYS 5 HB2 CYS 5 2.505 -5.969 18.169 34 HB3 CYS 5 HB3 CYS 5 3.184 -6.961 16.881 35 HG CYS 5 HG CYS 5 0.200 -7.077 18.169 36 H GLN 6 H GLN 6 5.202 -6.732 16.968 37 HA GLN 6 HA GLN 6 6.666 -4.798 18.494 38 HB2 GLN 6 HB2 GLN 6 7.811 -7.025 18.934 39 HB3 GLN 6 HB3 GLN 6 8.179 -7.092 17.219 40 HG2 GLN 6 HG2 GLN 6 9.545 -5.114 17.389 41 HG3 GLN 6 HG3 GLN 6 9.098 -4.913 19.081 42 HE21 GLN 6 HE21 GLN 6 11.719 -5.284 17.792 43 HE22 GLN 6 HE22 GLN 6 12.421 -6.663 18.569 44 H PHE 7 H PHE 7 8.568 -4.092 16.813 45 HA PHE 7 HA PHE 7 7.829 -4.148 14.057 46 HB2 PHE 7 HB2 PHE 7 7.347 -1.690 13.907 47 HB3 PHE 7 HB3 PHE 7 6.102 -2.610 14.743 48 HD1 PHE 7 HD2 PHE 7 8.836 -0.189 15.148 49 HD2 PHE 7 HD1 PHE 7 5.660 -2.272 17.066 50 HE1 PHE 7 HE2 PHE 7 9.019 1.318 17.085 51 HE2 PHE 7 HE1 PHE 7 5.834 -0.768 19.001 52 HZ PHE 7 HZ PHE 7 7.516 1.028 19.013 53 H VAL 8 H VAL 8 9.377 -3.044 12.738 54 HA VAL 8 HA VAL 8 11.783 -2.178 14.201 55 HB VAL 8 HB VAL 8 11.756 -3.574 11.520 56 HG11 VAL 8 HG11 VAL 8 14.167 -3.760 11.844 57 HG12 VAL 8 HG12 VAL 8 14.035 -2.894 13.376 58 HG13 VAL 8 HG13 VAL 8 13.654 -2.071 11.862 59 HG21 VAL 8 HG21 VAL 8 12.443 -4.692 14.236 60 HG22 VAL 8 HG22 VAL 8 12.657 -5.525 12.696 61 HG23 VAL 8 HG23 VAL 8 11.037 -5.116 13.259 62 H CYS 9 H CYS 9 11.898 -0.037 13.994 63 HA CYS 9 HA CYS 9 10.734 1.355 11.779 64 HB2 CYS 9 HB2 CYS 9 11.850 3.357 12.943 65 HB3 CYS 9 HB3 CYS 9 10.573 2.512 13.808 66 HG CYS 9 HG CYS 9 13.928 2.062 14.365 67 H GLU 10 H GLU 10 11.666 1.481 9.859 68 HA GLU 10 HA GLU 10 14.568 1.934 9.703 69 HB2 GLU 10 HB2 GLU 10 13.119 0.119 7.783 70 HB3 GLU 10 HB3 GLU 10 14.850 0.329 7.980 71 HG2 GLU 10 HG2 GLU 10 14.775 -0.808 10.113 72 HG3 GLU 10 HG3 GLU 10 13.021 -0.969 9.986 73 H LEU 11 H LEU 11 15.127 2.463 7.328 74 HA LEU 11 HA LEU 11 13.045 4.119 6.106 75 HB2 LEU 11 HB2 LEU 11 15.166 5.235 6.261 76 HB3 LEU 11 HB3 LEU 11 16.008 3.853 5.580 77 HG LEU 11 HG LEU 11 13.996 4.832 3.748 78 HD11 LEU 11 HD11 LEU 11 14.374 6.962 4.878 79 HD12 LEU 11 HD12 LEU 11 15.031 6.979 3.240 80 HD13 LEU 11 HD13 LEU 11 16.111 6.792 4.622 81 HD21 LEU 11 HD21 LEU 11 15.854 3.387 3.127 82 HD22 LEU 11 HD22 LEU 11 17.004 4.632 3.608 83 HD23 LEU 11 HD23 LEU 11 15.930 4.908 2.237 84 H LYS 12 H LYS 12 11.885 3.291 4.480 85 HA LYS 12 HA LYS 12 12.925 0.825 3.257 86 HB2 LYS 12 HB2 LYS 12 10.960 0.684 4.949 87 HB3 LYS 12 HB3 LYS 12 9.993 1.341 3.636 88 HG2 LYS 12 HG2 LYS 12 10.195 -0.559 2.356 89 HG3 LYS 12 HG3 LYS 12 11.691 -1.064 3.150 90 HD2 LYS 12 HD2 LYS 12 8.937 -1.073 4.388 91 HD3 LYS 12 HD3 LYS 12 9.803 -2.490 3.792 92 HE2 LYS 12 HE2 LYS 12 10.764 -0.680 6.009 93 HE3 LYS 12 HE3 LYS 12 9.942 -2.218 6.254 94 HZ1 LYS 12 HZ1 LYS 12 12.538 -1.875 4.840 95 HZ2 LYS 12 HZ2 LYS 12 11.754 -3.346 5.146 96 HZ3 LYS 12 HZ3 LYS 12 12.361 -2.424 6.439 97 H GLU 13 H GLU 13 12.913 0.695 1.126 98 HA GLU 13 HA GLU 13 12.520 3.154 -0.303 99 HB2 GLU 13 HB2 GLU 13 13.191 0.627 -1.732 100 HB3 GLU 13 HB3 GLU 13 13.821 2.249 -1.968 101 HG2 GLU 13 HG2 GLU 13 15.645 1.177 -1.102 102 HG3 GLU 13 HG3 GLU 13 14.927 1.858 0.358 103 H LEU 14 H LEU 14 11.204 3.532 -2.023 104 HA LEU 14 HA LEU 14 8.982 1.657 -2.440 105 HB2 LEU 14 HB2 LEU 14 9.272 4.605 -3.020 106 HB3 LEU 14 HB3 LEU 14 7.983 3.642 -3.711 107 HG LEU 14 HG LEU 14 7.295 3.070 -1.336 108 HD11 LEU 14 HD11 LEU 14 9.160 5.347 -0.696 109 HD12 LEU 14 HD12 LEU 14 9.342 3.668 -0.186 110 HD13 LEU 14 HD13 LEU 14 7.992 4.630 0.414 111 HD21 LEU 14 HD21 LEU 14 7.169 5.953 -2.209 112 HD22 LEU 14 HD22 LEU 14 6.102 5.177 -1.039 113 HD23 LEU 14 HD23 LEU 14 6.084 4.663 -2.726 114 H ALA 15 H ALA 15 8.492 0.968 -4.540 115 HA ALA 15 HA ALA 15 10.649 1.402 -6.498 116 HB1 ALA 15 HB1 ALA 15 9.167 -1.180 -5.996 117 HB2 ALA 15 HB2 ALA 15 10.796 -0.821 -5.430 118 HB3 ALA 15 HB3 ALA 15 10.470 -0.927 -7.159 119 HA PRO 16 HA PRO 16 7.502 2.309 -9.535 120 HB2 PRO 16 HB2 PRO 16 8.897 0.482 -11.401 121 HB3 PRO 16 HB3 PRO 16 8.540 2.204 -11.574 122 HG2 PRO 16 HG2 PRO 16 11.026 1.357 -11.097 123 HG3 PRO 16 HG3 PRO 16 10.404 2.850 -10.367 124 HD2 PRO 16 HD2 PRO 16 10.746 0.139 -9.139 125 HD3 PRO 16 HD3 PRO 16 11.075 1.740 -8.444 126 H VAL 17 H VAL 17 5.668 1.354 -8.880 127 HA VAL 17 HA VAL 17 5.320 -1.510 -9.447 128 HB VAL 17 HB VAL 17 4.020 0.090 -7.235 129 HG11 VAL 17 HG11 VAL 17 3.117 -2.062 -6.491 130 HG12 VAL 17 HG12 VAL 17 3.803 -2.838 -7.918 131 HG13 VAL 17 HG13 VAL 17 2.531 -1.629 -8.096 132 HG21 VAL 17 HG21 VAL 17 6.100 -2.092 -7.106 133 HG22 VAL 17 HG22 VAL 17 5.332 -1.314 -5.722 134 HG23 VAL 17 HG23 VAL 17 6.377 -0.378 -6.791 135 HA PRO 18 HA PRO 18 2.204 0.451 -12.229 136 HB2 PRO 18 HB2 PRO 18 2.068 -1.866 -13.734 137 HB3 PRO 18 HB3 PRO 18 3.123 -0.498 -14.095 138 HG2 PRO 18 HG2 PRO 18 3.759 -3.067 -12.708 139 HG3 PRO 18 HG3 PRO 18 4.730 -2.150 -13.875 140 HD2 PRO 18 HD2 PRO 18 5.253 -2.076 -11.242 141 HD3 PRO 18 HD3 PRO 18 5.456 -0.641 -12.270 142 H ALA 19 H ALA 19 0.300 0.424 -11.199 143 HA ALA 19 HA ALA 19 -0.815 -2.168 -10.389 144 HB1 ALA 19 HB1 ALA 19 -1.494 -1.237 -8.240 145 HB2 ALA 19 HB2 ALA 19 -0.722 0.295 -8.647 146 HB3 ALA 19 HB3 ALA 19 0.258 -1.156 -8.433 147 H LEU 20 H LEU 20 -3.111 -2.064 -9.894 148 HA LEU 20 HA LEU 20 -4.503 -0.012 -11.474 149 HB2 LEU 20 HB2 LEU 20 -5.126 -2.857 -10.792 150 HB3 LEU 20 HB3 LEU 20 -6.456 -1.747 -11.048 151 HG LEU 20 HG LEU 20 -5.961 -3.021 -13.068 152 HD11 LEU 20 HD11 LEU 20 -6.856 -0.770 -13.294 153 HD12 LEU 20 HD12 LEU 20 -5.776 -1.163 -14.632 154 HD13 LEU 20 HD13 LEU 20 -5.220 -0.113 -13.328 155 HD21 LEU 20 HD21 LEU 20 -3.878 -2.697 -14.290 156 HD22 LEU 20 HD22 LEU 20 -3.581 -3.411 -12.705 157 HD23 LEU 20 HD23 LEU 20 -3.253 -1.699 -12.977 158 H LEU 21 H LEU 21 -5.769 1.416 -10.475 159 HA LEU 21 HA LEU 21 -6.769 0.903 -7.822 160 HB2 LEU 21 HB2 LEU 21 -5.656 2.724 -6.706 161 HB3 LEU 21 HB3 LEU 21 -4.480 1.603 -7.336 162 HG LEU 21 HG LEU 21 -3.571 3.759 -7.599 163 HD11 LEU 21 HD11 LEU 21 -3.274 4.042 -9.984 164 HD12 LEU 21 HD12 LEU 21 -4.646 2.979 -10.293 165 HD13 LEU 21 HD13 LEU 21 -3.193 2.342 -9.523 166 HD21 LEU 21 HD21 LEU 21 -6.133 4.633 -8.915 167 HD22 LEU 21 HD22 LEU 21 -4.675 5.611 -8.745 168 HD23 LEU 21 HD23 LEU 21 -5.562 5.096 -7.311 169 H ILE 22 H ILE 22 -8.158 2.560 -7.020 170 HA ILE 22 HA ILE 22 -9.184 4.387 -9.089 171 HB ILE 22 HB ILE 22 -10.771 3.199 -6.788 172 HG12 ILE 22 HG12 ILE 22 -11.989 2.080 -8.848 173 HG13 ILE 22 HG13 ILE 22 -10.418 2.280 -9.612 174 HG21 ILE 22 HG21 ILE 22 -12.731 4.044 -8.031 175 HG22 ILE 22 HG22 ILE 22 -11.638 4.809 -9.184 176 HG23 ILE 22 HG23 ILE 22 -11.648 5.329 -7.499 177 HD11 ILE 22 HD11 ILE 22 -9.387 0.971 -7.827 178 HD12 ILE 22 HD12 ILE 22 -10.651 0.066 -8.660 179 HD13 ILE 22 HD13 ILE 22 -10.966 0.765 -7.073 180 H ARG 23 H ARG 23 -10.006 6.454 -8.185 181 HA ARG 23 HA ARG 23 -8.520 7.245 -5.797 182 HB2 ARG 23 HB2 ARG 23 -9.418 9.562 -6.432 183 HB3 ARG 23 HB3 ARG 23 -8.236 8.834 -7.513 184 HG2 ARG 23 HG2 ARG 23 -10.061 8.106 -8.985 185 HG3 ARG 23 HG3 ARG 23 -11.218 8.899 -7.917 186 HD2 ARG 23 HD2 ARG 23 -10.231 11.050 -8.375 187 HD3 ARG 23 HD3 ARG 23 -8.949 10.295 -9.325 188 HE ARG 23 HE ARG 23 -11.454 9.555 -10.382 189 HH11 ARG 23 HH11 ARG 23 -9.405 12.388 -10.097 190 HH12 ARG 23 HH12 ARG 23 -9.943 13.076 -11.602 191 HH21 ARG 23 HH21 ARG 23 -12.170 10.457 -12.324 192 HH22 ARG 23 HH22 ARG 23 -11.512 11.967 -12.884 193 H THR 24 H THR 24 -9.577 6.562 -3.990 194 HA THR 24 HA THR 24 -12.476 7.096 -3.871 195 HB THR 24 HB THR 24 -10.893 5.089 -2.243 196 HG1 THR 24 HG1 THR 24 -10.846 4.075 -4.134 197 HG21 THR 24 HG21 THR 24 -13.023 5.771 -1.235 198 HG22 THR 24 HG22 THR 24 -13.091 4.099 -1.794 199 HG23 THR 24 HG23 THR 24 -13.860 5.376 -2.736 200 H GLN 25 H GLN 25 -13.318 7.833 -1.796 201 HA GLN 25 HA GLN 25 -11.288 8.948 0.015 202 HB2 GLN 25 HB2 GLN 25 -12.695 10.952 0.340 203 HB3 GLN 25 HB3 GLN 25 -12.114 10.812 -1.311 204 HG2 GLN 25 HG2 GLN 25 -14.268 10.016 -2.045 205 HG3 GLN 25 HG3 GLN 25 -14.861 10.010 -0.386 206 HE21 GLN 25 HE21 GLN 25 -16.520 11.433 -0.844 207 HE22 GLN 25 HE22 GLN 25 -16.243 13.110 -1.152 208 H THR 26 H THR 26 -11.720 8.676 2.163 209 HA THR 26 HA THR 26 -13.949 6.884 2.715 210 HB THR 26 HB THR 26 -11.899 6.080 3.598 211 HG1 THR 26 HG1 THR 26 -12.759 7.051 6.021 212 HG21 THR 26 HG21 THR 26 -11.562 8.733 5.001 213 HG22 THR 26 HG22 THR 26 -10.638 8.179 3.604 214 HG23 THR 26 HG23 THR 26 -10.492 7.338 5.147 215 H ALA 27 H ALA 27 -15.784 8.023 2.903 216 HA ALA 27 HA ALA 27 -15.817 10.094 4.994 217 HB1 ALA 27 HB1 ALA 27 -16.297 10.998 2.764 218 HB2 ALA 27 HB2 ALA 27 -17.691 11.127 3.838 219 HB3 ALA 27 HB3 ALA 27 -17.641 9.869 2.603 220 H MET 28 H MET 28 -16.871 9.588 6.737 221 HA MET 28 HA MET 28 -18.427 8.850 8.184 222 HB2 MET 28 HB2 MET 28 -20.023 9.817 6.573 223 HB3 MET 28 HB3 MET 28 -20.114 8.268 5.750 224 HG2 MET 28 HG2 MET 28 -21.053 7.239 7.736 225 HG3 MET 28 HG3 MET 28 -20.911 8.763 8.610 226 HE1 MET 28 HE1 MET 28 -24.780 8.418 8.148 227 HE2 MET 28 HE2 MET 28 -23.458 8.617 9.298 228 HE3 MET 28 HE3 MET 28 -23.641 7.098 8.419 229 H SER 29 H SER 29 -19.245 6.524 5.595 230 HA SER 29 HA SER 29 -18.575 4.395 7.529 231 HB2 SER 29 HB2 SER 29 -20.797 4.256 5.489 232 HB3 SER 29 HB3 SER 29 -20.523 3.191 6.867 233 HG SER 29 HG SER 29 -20.970 4.990 8.237 234 H GLU 30 H GLU 30 -17.802 5.654 4.542 235 HA GLU 30 HA GLU 30 -17.866 3.421 2.851 236 HB2 GLU 30 HB2 GLU 30 -16.131 5.887 2.709 237 HB3 GLU 30 HB3 GLU 30 -16.323 4.721 1.406 238 HG2 GLU 30 HG2 GLU 30 -18.752 5.206 1.400 239 HG3 GLU 30 HG3 GLU 30 -18.464 6.462 2.603 240 H LEU 31 H LEU 31 -15.480 4.404 5.187 241 HA LEU 31 HA LEU 31 -13.126 3.428 4.244 242 HB2 LEU 31 HB2 LEU 31 -13.608 4.620 6.426 243 HB3 LEU 31 HB3 LEU 31 -14.022 3.057 7.095 244 HG LEU 31 HG LEU 31 -11.692 3.957 7.594 245 HD11 LEU 31 HD11 LEU 31 -10.629 1.770 7.406 246 HD12 LEU 31 HD12 LEU 31 -11.920 1.235 6.327 247 HD13 LEU 31 HD13 LEU 31 -12.283 1.641 8.006 248 HD21 LEU 31 HD21 LEU 31 -11.220 3.118 4.736 249 HD22 LEU 31 HD22 LEU 31 -9.983 3.593 5.900 250 HD23 LEU 31 HD23 LEU 31 -11.175 4.771 5.352 251 H GLY 32 H GLY 32 -15.368 1.478 6.250 252 HA2 GLY 32 HA2 GLY 32 -13.769 -0.872 5.936 253 HA3 GLY 32 HA3 GLY 32 -15.361 -0.795 6.670 254 H SER 33 H SER 33 -16.629 0.358 4.319 255 HA SER 33 HA SER 33 -17.326 -2.165 3.174 256 HB2 SER 33 HB2 SER 33 -18.285 0.611 2.455 257 HB3 SER 33 HB3 SER 33 -19.056 -0.910 1.994 258 HG SER 33 HG SER 33 -18.684 -0.885 4.645 259 H LEU 34 H LEU 34 -15.374 0.565 2.133 260 HA LEU 34 HA LEU 34 -15.495 -0.028 -0.635 261 HB2 LEU 34 HB2 LEU 34 -13.677 1.542 -0.914 262 HB3 LEU 34 HB3 LEU 34 -14.885 2.189 0.171 263 HG LEU 34 HG LEU 34 -13.235 1.241 2.017 264 HD11 LEU 34 HD11 LEU 34 -11.409 1.777 -0.324 265 HD12 LEU 34 HD12 LEU 34 -11.669 0.217 0.456 266 HD13 LEU 34 HD13 LEU 34 -10.899 1.530 1.346 267 HD21 LEU 34 HD21 LEU 34 -12.807 3.794 0.476 268 HD22 LEU 34 HD22 LEU 34 -12.189 3.460 2.092 269 HD23 LEU 34 HD23 LEU 34 -13.928 3.553 1.816 270 H PHE 35 H PHE 35 -13.525 -1.259 1.954 271 HA PHE 35 HA PHE 35 -11.570 -2.460 0.246 272 HB2 PHE 35 HB2 PHE 35 -12.303 -2.962 3.136 273 HB3 PHE 35 HB3 PHE 35 -11.003 -3.811 2.310 274 HD1 PHE 35 HD1 PHE 35 -9.360 -2.113 1.004 275 HD2 PHE 35 HD2 PHE 35 -11.686 -1.200 4.446 276 HE1 PHE 35 HE1 PHE 35 -7.798 -0.298 1.570 277 HE2 PHE 35 HE2 PHE 35 -10.132 0.617 5.021 278 HZ PHE 35 HZ PHE 35 -8.185 1.071 3.584 279 H GLU 36 H GLU 36 -14.267 -3.803 2.150 280 HA GLU 36 HA GLU 36 -14.009 -6.442 1.289 281 HB2 GLU 36 HB2 GLU 36 -16.458 -4.940 2.221 282 HB3 GLU 36 HB3 GLU 36 -16.393 -6.684 2.004 283 HG2 GLU 36 HG2 GLU 36 -14.631 -6.818 3.703 284 HG3 GLU 36 HG3 GLU 36 -14.731 -5.072 3.931 285 H ALA 37 H ALA 37 -16.202 -3.916 0.055 286 HA ALA 37 HA ALA 37 -17.210 -5.668 -1.997 287 HB1 ALA 37 HB1 ALA 37 -18.565 -3.754 -2.676 288 HB2 ALA 37 HB2 ALA 37 -17.665 -2.717 -1.567 289 HB3 ALA 37 HB3 ALA 37 -18.667 -4.023 -0.935 290 H GLY 38 H GLY 38 -14.633 -3.428 -1.683 291 HA2 GLY 38 HA2 GLY 38 -14.490 -2.433 -4.306 292 HA3 GLY 38 HA3 GLY 38 -13.156 -2.504 -3.167 293 H TYR 39 H TYR 39 -12.564 -5.077 -2.833 294 HA TYR 39 HA TYR 39 -11.376 -5.682 -5.359 295 HB2 TYR 39 HB2 TYR 39 -10.225 -7.477 -4.272 296 HB3 TYR 39 HB3 TYR 39 -10.251 -6.114 -3.163 297 HD1 TYR 39 HD1 TYR 39 -11.550 -6.227 -1.094 298 HD2 TYR 39 HD2 TYR 39 -11.442 -9.514 -3.791 299 HE1 TYR 39 HE1 TYR 39 -12.445 -7.692 0.665 300 HE2 TYR 39 HE2 TYR 39 -12.343 -10.989 -2.040 301 HH TYR 39 HH TYR 39 -12.471 -11.093 0.403 302 H HIS 40 H HIS 40 -14.274 -6.572 -3.819 303 HA HIS 40 HA HIS 40 -14.718 -9.046 -5.167 304 HB2 HIS 40 HB2 HIS 40 -15.878 -8.388 -3.062 305 HB3 HIS 40 HB3 HIS 40 -16.751 -7.153 -3.963 306 HD1 HIS 40 HD1 HIS 40 -18.993 -7.851 -4.731 307 HD2 HIS 40 HD2 HIS 40 -16.436 -11.098 -4.230 308 HE1 HIS 40 HE1 HIS 40 -20.387 -9.897 -5.192 309 HE2 HIS 40 HE2 HIS 40 -18.784 -11.841 -5.015 310 H ASP 41 H ASP 41 -15.514 -5.674 -5.804 311 HA ASP 41 HA ASP 41 -17.182 -6.307 -8.069 312 HB2 ASP 41 HB2 ASP 41 -17.659 -4.377 -6.610 313 HB3 ASP 41 HB3 ASP 41 -16.136 -3.642 -7.094 314 H ILE 42 H ILE 42 -13.947 -4.919 -7.575 315 HA ILE 42 HA ILE 42 -13.617 -4.451 -10.407 316 HB ILE 42 HB ILE 42 -11.422 -3.567 -9.848 317 HG12 ILE 42 HG12 ILE 42 -12.036 -4.554 -7.053 318 HG13 ILE 42 HG13 ILE 42 -10.757 -5.138 -8.110 319 HG21 ILE 42 HG21 ILE 42 -12.128 -1.733 -8.389 320 HG22 ILE 42 HG22 ILE 42 -13.561 -2.655 -7.929 321 HG23 ILE 42 HG23 ILE 42 -13.355 -2.115 -9.596 322 HD11 ILE 42 HD11 ILE 42 -9.908 -3.667 -6.363 323 HD12 ILE 42 HD12 ILE 42 -10.939 -2.364 -6.957 324 HD13 ILE 42 HD13 ILE 42 -9.638 -2.990 -7.970 325 H LEU 43 H LEU 43 -13.456 -7.202 -8.659 326 HA LEU 43 HA LEU 43 -11.018 -8.385 -9.427 327 HB2 LEU 43 HB2 LEU 43 -12.479 -9.242 -7.632 328 HB3 LEU 43 HB3 LEU 43 -13.663 -9.715 -8.834 329 HG LEU 43 HG LEU 43 -12.023 -11.303 -9.793 330 HD11 LEU 43 HD11 LEU 43 -10.337 -10.521 -7.419 331 HD12 LEU 43 HD12 LEU 43 -9.976 -10.171 -9.108 332 HD13 LEU 43 HD13 LEU 43 -10.001 -11.840 -8.540 333 HD21 LEU 43 HD21 LEU 43 -12.142 -12.932 -7.971 334 HD22 LEU 43 HD22 LEU 43 -13.665 -12.063 -8.168 335 HD23 LEU 43 HD23 LEU 43 -12.574 -11.641 -6.848 336 H GLN 44 H GLN 44 -13.981 -7.855 -11.108 337 HA GLN 44 HA GLN 44 -13.947 -9.866 -13.029 338 HB2 GLN 44 HB2 GLN 44 -14.859 -7.013 -13.411 339 HB3 GLN 44 HB3 GLN 44 -15.346 -8.398 -14.377 340 HG2 GLN 44 HG2 GLN 44 -16.402 -9.383 -12.380 341 HG3 GLN 44 HG3 GLN 44 -15.971 -7.934 -11.471 342 HE21 GLN 44 HE21 GLN 44 -18.083 -7.382 -11.043 343 HE22 GLN 44 HE22 GLN 44 -19.156 -6.778 -12.263 344 H LEU 45 H LEU 45 -12.091 -6.903 -12.845 345 HA LEU 45 HA LEU 45 -11.350 -6.673 -15.541 346 HB2 LEU 45 HB2 LEU 45 -11.056 -4.881 -13.898 347 HB3 LEU 45 HB3 LEU 45 -9.840 -5.829 -13.066 348 HG LEU 45 HG LEU 45 -8.405 -5.703 -15.082 349 HD11 LEU 45 HD11 LEU 45 -10.126 -5.419 -16.770 350 HD12 LEU 45 HD12 LEU 45 -8.964 -4.093 -16.842 351 HD13 LEU 45 HD13 LEU 45 -10.546 -3.843 -16.101 352 HD21 LEU 45 HD21 LEU 45 -9.315 -3.056 -13.964 353 HD22 LEU 45 HD22 LEU 45 -7.801 -3.339 -14.824 354 HD23 LEU 45 HD23 LEU 45 -8.094 -4.119 -13.269 355 H LEU 46 H LEU 46 -9.798 -8.388 -12.851 356 HA LEU 46 HA LEU 46 -7.655 -9.299 -14.578 357 HB2 LEU 46 HB2 LEU 46 -8.244 -9.502 -11.662 358 HB3 LEU 46 HB3 LEU 46 -7.139 -10.660 -12.378 359 HG LEU 46 HG LEU 46 -5.958 -8.770 -11.350 360 HD11 LEU 46 HD11 LEU 46 -4.901 -9.905 -13.206 361 HD12 LEU 46 HD12 LEU 46 -4.540 -8.180 -13.270 362 HD13 LEU 46 HD13 LEU 46 -5.746 -8.868 -14.355 363 HD21 LEU 46 HD21 LEU 46 -7.643 -7.046 -11.676 364 HD22 LEU 46 HD22 LEU 46 -7.372 -7.098 -13.418 365 HD23 LEU 46 HD23 LEU 46 -6.089 -6.545 -12.342 366 H ALA 47 H ALA 47 -10.577 -10.552 -13.113 367 HA ALA 47 HA ALA 47 -10.042 -13.287 -13.749 368 HB1 ALA 47 HB1 ALA 47 -11.572 -12.629 -11.935 369 HB2 ALA 47 HB2 ALA 47 -12.349 -13.697 -13.105 370 HB3 ALA 47 HB3 ALA 47 -12.687 -11.966 -13.130 371 H GLY 48 H GLY 48 -11.227 -10.596 -15.527 372 HA2 GLY 48 HA2 GLY 48 -12.413 -12.204 -17.627 373 HA3 GLY 48 HA3 GLY 48 -12.191 -10.460 -17.641 374 H GLN 49 H GLN 49 -9.330 -11.689 -16.702 375 HA GLN 49 HA GLN 49 -8.310 -11.921 -19.457 376 HB2 GLN 49 HB2 GLN 49 -6.812 -10.940 -17.015 377 HB3 GLN 49 HB3 GLN 49 -6.184 -11.024 -18.654 378 HG2 GLN 49 HG2 GLN 49 -7.805 -9.350 -19.367 379 HG3 GLN 49 HG3 GLN 49 -8.449 -9.275 -17.727 380 HE21 GLN 49 HE21 GLN 49 -7.977 -7.143 -17.450 381 HE22 GLN 49 HE22 GLN 49 -6.366 -6.549 -17.276 382 H GLY 50 H GLY 50 -7.864 -12.940 -16.101 383 HA2 GLY 50 HA2 GLY 50 -7.597 -15.263 -15.528 384 HA3 GLY 50 HA3 GLY 50 -6.806 -15.510 -17.081 385 H LYS 51 H LYS 51 -6.203 -12.847 -14.854 386 HA LYS 51 HA LYS 51 -3.470 -13.893 -14.527 387 HB2 LYS 51 HB2 LYS 51 -4.359 -11.051 -14.968 388 HB3 LYS 51 HB3 LYS 51 -2.765 -11.467 -14.363 389 HG2 LYS 51 HG2 LYS 51 -2.399 -12.813 -16.419 390 HG3 LYS 51 HG3 LYS 51 -3.936 -12.198 -17.035 391 HD2 LYS 51 HD2 LYS 51 -3.111 -9.934 -16.958 392 HD3 LYS 51 HD3 LYS 51 -1.611 -10.468 -16.194 393 HE2 LYS 51 HE2 LYS 51 -1.067 -11.776 -18.190 394 HE3 LYS 51 HE3 LYS 51 -2.561 -11.232 -18.949 395 HZ1 LYS 51 HZ1 LYS 51 -0.656 -9.951 -19.705 396 HZ2 LYS 51 HZ2 LYS 51 -0.304 -9.479 -18.115 397 HZ3 LYS 51 HZ3 LYS 51 -1.737 -8.958 -18.860 398 H SER 52 H SER 52 -2.329 -13.072 -12.649 399 HA SER 52 HA SER 52 -4.102 -12.354 -10.414 400 HB2 SER 52 HB2 SER 52 -2.436 -13.615 -8.968 401 HB3 SER 52 HB3 SER 52 -3.409 -14.621 -10.038 402 HG SER 52 HG SER 52 -0.696 -14.188 -10.008 403 HA PRO 53 HA PRO 53 -1.479 -8.855 -9.608 404 HB2 PRO 53 HB2 PRO 53 -1.328 -9.722 -6.774 405 HB3 PRO 53 HB3 PRO 53 -1.897 -8.193 -7.453 406 HG2 PRO 53 HG2 PRO 53 -3.618 -9.976 -6.472 407 HG3 PRO 53 HG3 PRO 53 -4.003 -9.035 -7.926 408 HD2 PRO 53 HD2 PRO 53 -3.092 -11.877 -7.691 409 HD3 PRO 53 HD3 PRO 53 -4.310 -11.170 -8.773 410 H SER 54 H SER 54 0.682 -8.386 -9.491 411 HA SER 54 HA SER 54 2.500 -10.608 -9.558 412 HB2 SER 54 HB2 SER 54 2.762 -8.636 -11.051 413 HB3 SER 54 HB3 SER 54 3.111 -7.640 -9.639 414 HG SER 54 HG SER 54 4.756 -9.600 -9.408 415 H GLY 55 H GLY 55 1.279 -8.611 -7.140 416 HA2 GLY 55 HA2 GLY 55 2.954 -9.853 -5.152 417 HA3 GLY 55 HA3 GLY 55 3.186 -8.112 -5.295 418 HA PRO 56 HA PRO 56 -0.512 -9.081 -2.535 419 HB2 PRO 56 HB2 PRO 56 0.412 -7.800 -0.313 420 HB3 PRO 56 HB3 PRO 56 0.707 -9.512 -0.634 421 HG2 PRO 56 HG2 PRO 56 2.509 -7.163 -1.067 422 HG3 PRO 56 HG3 PRO 56 2.895 -8.770 -0.422 423 HD2 PRO 56 HD2 PRO 56 3.430 -8.054 -2.980 424 HD3 PRO 56 HD3 PRO 56 3.023 -9.719 -2.518 425 HA PRO 57 HA PRO 57 -2.111 -5.008 -3.365 426 HB2 PRO 57 HB2 PRO 57 -4.069 -5.479 -1.223 427 HB3 PRO 57 HB3 PRO 57 -4.337 -5.265 -2.955 428 HG2 PRO 57 HG2 PRO 57 -4.665 -7.650 -1.763 429 HG3 PRO 57 HG3 PRO 57 -4.036 -7.508 -3.416 430 HD2 PRO 57 HD2 PRO 57 -2.547 -7.985 -0.857 431 HD3 PRO 57 HD3 PRO 57 -2.328 -8.746 -2.449 432 H PHE 58 H PHE 58 -2.265 -2.935 -2.447 433 HA PHE 58 HA PHE 58 -1.319 -2.693 0.316 434 HB2 PHE 58 HB2 PHE 58 0.190 -0.839 -0.364 435 HB3 PHE 58 HB3 PHE 58 0.662 -2.391 -1.041 436 HD1 PHE 58 HD2 PHE 58 0.164 -2.865 -3.461 437 HD2 PHE 58 HD1 PHE 58 -0.285 1.002 -1.740 438 HE1 PHE 58 HE2 PHE 58 0.194 -1.864 -5.708 439 HE2 PHE 58 HE1 PHE 58 -0.253 2.008 -3.984 440 HZ PHE 58 HZ PHE 58 -0.015 0.575 -5.970 441 H ALA 59 H ALA 59 -2.567 -1.395 1.471 442 HA ALA 59 HA ALA 59 -4.652 0.058 0.045 443 HB1 ALA 59 HB1 ALA 59 -5.721 0.267 2.241 444 HB2 ALA 59 HB2 ALA 59 -4.321 -0.495 2.995 445 HB3 ALA 59 HB3 ALA 59 -5.326 -1.412 1.874 446 H ARG 60 H ARG 60 -4.393 2.087 -0.418 447 HA ARG 60 HA ARG 60 -2.304 3.586 0.979 448 HB2 ARG 60 HB2 ARG 60 -2.351 5.093 -0.978 449 HB3 ARG 60 HB3 ARG 60 -2.001 3.429 -1.418 450 HG2 ARG 60 HG2 ARG 60 -4.329 3.137 -2.120 451 HG3 ARG 60 HG3 ARG 60 -4.651 4.822 -1.710 452 HD2 ARG 60 HD2 ARG 60 -2.689 3.835 -3.781 453 HD3 ARG 60 HD3 ARG 60 -4.268 4.546 -4.108 454 HE ARG 60 HE ARG 60 -2.202 6.096 -2.676 455 HH11 ARG 60 HH11 ARG 60 -4.344 5.722 -5.442 456 HH12 ARG 60 HH12 ARG 60 -3.989 7.300 -6.077 457 HH21 ARG 60 HH21 ARG 60 -1.761 8.149 -3.512 458 HH22 ARG 60 HH22 ARG 60 -2.549 8.681 -4.972 459 H TYR 61 H TYR 61 -2.656 5.366 2.062 460 HA TYR 61 HA TYR 61 -5.336 6.593 2.048 461 HB2 TYR 61 HB2 TYR 61 -3.551 6.382 4.488 462 HB3 TYR 61 HB3 TYR 61 -5.221 6.926 4.427 463 HD1 TYR 61 HD2 TYR 61 -3.003 4.005 4.416 464 HD2 TYR 61 HD1 TYR 61 -7.046 5.332 4.369 465 HE1 TYR 61 HE2 TYR 61 -3.752 1.735 4.994 466 HE2 TYR 61 HE1 TYR 61 -7.800 3.069 4.951 467 HH TYR 61 HH TYR 61 -5.589 0.570 5.898 468 H PHE 62 H PHE 62 -5.019 8.500 1.072 469 HA PHE 62 HA PHE 62 -2.478 9.878 1.433 470 HB2 PHE 62 HB2 PHE 62 -3.341 9.702 -0.856 471 HB3 PHE 62 HB3 PHE 62 -4.809 10.546 -0.376 472 HD1 PHE 62 HD1 PHE 62 -1.106 10.998 -0.407 473 HD2 PHE 62 HD2 PHE 62 -4.939 12.828 -0.684 474 HE1 PHE 62 HE1 PHE 62 -0.036 13.150 -0.929 475 HE2 PHE 62 HE2 PHE 62 -3.873 14.983 -1.207 476 HZ PHE 62 HZ PHE 62 -1.420 15.145 -1.331 477 H GLY 63 H GLY 63 -2.324 11.021 3.188 478 HA2 GLY 63 HA2 GLY 63 -2.694 12.814 4.593 479 HA3 GLY 63 HA3 GLY 63 -4.170 13.169 3.706 480 H MET 64 H MET 64 -4.188 13.403 6.398 481 HA MET 64 HA MET 64 -5.965 11.172 7.124 482 HB2 MET 64 HB2 MET 64 -4.100 12.779 8.870 483 HB3 MET 64 HB3 MET 64 -5.462 11.892 9.540 484 HG2 MET 64 HG2 MET 64 -3.268 10.646 7.894 485 HG3 MET 64 HG3 MET 64 -3.306 10.672 9.656 486 HE1 MET 64 HE1 MET 64 -3.041 7.999 9.626 487 HE2 MET 64 HE2 MET 64 -3.048 8.018 7.862 488 HE3 MET 64 HE3 MET 64 -4.126 6.929 8.736 489 H SER 65 H SER 65 -5.291 14.625 7.442 490 HA SER 65 HA SER 65 -6.641 16.443 7.441 491 HB2 SER 65 HB2 SER 65 -7.485 15.304 5.367 492 HB3 SER 65 HB3 SER 65 -8.748 14.559 6.346 493 HG SER 65 HG SER 65 -9.368 16.532 5.228 494 H ALA 66 H ALA 66 -9.407 16.672 7.908 495 HA ALA 66 HA ALA 66 -9.487 16.018 10.764 496 HB1 ALA 66 HB1 ALA 66 -11.267 17.700 10.892 497 HB2 ALA 66 HB2 ALA 66 -11.178 17.925 9.145 498 HB3 ALA 66 HB3 ALA 66 -9.804 18.360 10.162 499 H GLY 67 H GLY 67 -9.909 13.836 9.086 500 HA2 GLY 67 HA2 GLY 67 -11.637 12.218 9.941 501 HA3 GLY 67 HA3 GLY 67 -12.815 13.399 9.398 502 H THR 68 H THR 68 -12.181 14.088 6.953 503 HA THR 68 HA THR 68 -12.441 11.564 5.502 504 HB THR 68 HB THR 68 -12.879 14.359 4.439 505 HG1 THR 68 HG1 THR 68 -15.003 14.151 5.043 506 HG21 THR 68 HG21 THR 68 -13.830 11.651 3.492 507 HG22 THR 68 HG22 THR 68 -12.605 12.657 2.717 508 HG23 THR 68 HG23 THR 68 -14.283 13.196 2.778 509 H PHE 69 H PHE 69 -10.810 10.780 4.334 510 HA PHE 69 HA PHE 69 -8.907 12.606 3.100 511 HB2 PHE 69 HB2 PHE 69 -6.988 11.162 3.823 512 HB3 PHE 69 HB3 PHE 69 -7.745 12.073 5.123 513 HD1 PHE 69 HD2 PHE 69 -9.110 10.921 6.809 514 HD2 PHE 69 HD1 PHE 69 -7.023 8.778 3.782 515 HE1 PHE 69 HE2 PHE 69 -9.347 8.852 8.115 516 HE2 PHE 69 HE1 PHE 69 -7.258 6.703 5.085 517 HZ PHE 69 HZ PHE 69 -8.419 6.741 7.256 518 H GLU 70 H GLU 70 -7.238 11.032 1.789 519 HA GLU 70 HA GLU 70 -9.108 9.813 -0.089 520 HB2 GLU 70 HB2 GLU 70 -6.141 10.099 -0.491 521 HB3 GLU 70 HB3 GLU 70 -7.401 9.984 -1.711 522 HG2 GLU 70 HG2 GLU 70 -6.898 12.303 0.128 523 HG3 GLU 70 HG3 GLU 70 -6.521 12.223 -1.591 524 H VAL 71 H VAL 71 -9.042 7.686 -0.752 525 HA VAL 71 HA VAL 71 -7.069 5.937 0.489 526 HB VAL 71 HB VAL 71 -8.862 4.296 1.113 527 HG11 VAL 71 HG11 VAL 71 -9.447 5.375 3.215 528 HG12 VAL 71 HG12 VAL 71 -8.964 6.940 2.558 529 HG13 VAL 71 HG13 VAL 71 -7.761 5.673 2.799 530 HG21 VAL 71 HG21 VAL 71 -10.683 6.666 0.702 531 HG22 VAL 71 HG22 VAL 71 -11.140 5.127 1.432 532 HG23 VAL 71 HG23 VAL 71 -10.660 5.188 -0.263 533 H GLU 72 H GLU 72 -6.950 3.832 -0.443 534 HA GLU 72 HA GLU 72 -8.743 3.031 -2.523 535 HB2 GLU 72 HB2 GLU 72 -7.443 4.508 -3.891 536 HB3 GLU 72 HB3 GLU 72 -5.936 3.868 -3.253 537 HG2 GLU 72 HG2 GLU 72 -6.555 3.142 -5.568 538 HG3 GLU 72 HG3 GLU 72 -6.173 1.850 -4.433 539 H PHE 73 H PHE 73 -8.628 0.861 -2.958 540 HA PHE 73 HA PHE 73 -7.319 -0.832 -1.094 541 HB2 PHE 73 HB2 PHE 73 -9.444 -1.439 -2.192 542 HB3 PHE 73 HB3 PHE 73 -8.624 -1.502 -3.747 543 HD1 PHE 73 HD2 PHE 73 -8.792 -3.082 -0.407 544 HD2 PHE 73 HD1 PHE 73 -7.512 -3.450 -4.450 545 HE1 PHE 73 HE2 PHE 73 -8.278 -5.457 -0.026 546 HE2 PHE 73 HE1 PHE 73 -7.002 -5.828 -4.077 547 HZ PHE 73 HZ PHE 73 -7.384 -6.832 -1.861 548 H GLY 74 H GLY 74 -6.811 -0.192 -4.559 549 HA2 GLY 74 HA2 GLY 74 -4.914 -0.169 -5.837 550 HA3 GLY 74 HA3 GLY 74 -4.054 0.154 -4.348 551 H PHE 75 H PHE 75 -4.672 -2.134 -6.840 552 HA PHE 75 HA PHE 75 -2.942 -4.010 -5.350 553 HB2 PHE 75 HB2 PHE 75 -3.977 -5.886 -6.566 554 HB3 PHE 75 HB3 PHE 75 -5.141 -5.018 -5.576 555 HD1 PHE 75 HD2 PHE 75 -6.819 -3.558 -6.644 556 HD2 PHE 75 HD1 PHE 75 -4.195 -6.015 -8.921 557 HE1 PHE 75 HE2 PHE 75 -8.292 -3.316 -8.599 558 HE2 PHE 75 HE1 PHE 75 -5.665 -5.781 -10.876 559 HZ PHE 75 HZ PHE 75 -7.719 -4.429 -10.715 560 HA PRO 76 HA PRO 76 -0.227 -3.432 -8.741 561 HB2 PRO 76 HB2 PRO 76 1.606 -5.342 -7.827 562 HB3 PRO 76 HB3 PRO 76 1.534 -3.649 -7.341 563 HG2 PRO 76 HG2 PRO 76 1.014 -5.902 -5.719 564 HG3 PRO 76 HG3 PRO 76 0.724 -4.204 -5.306 565 HD2 PRO 76 HD2 PRO 76 -1.180 -6.272 -6.280 566 HD3 PRO 76 HD3 PRO 76 -1.466 -4.882 -5.210 567 H VAL 77 H VAL 77 0.221 -4.242 -10.700 568 HA VAL 77 HA VAL 77 -0.422 -7.075 -11.188 569 HB VAL 77 HB VAL 77 -0.996 -6.452 -13.502 570 HG11 VAL 77 HG11 VAL 77 -3.130 -5.337 -13.000 571 HG12 VAL 77 HG12 VAL 77 -2.530 -4.942 -11.389 572 HG13 VAL 77 HG13 VAL 77 -2.767 -6.626 -11.854 573 HG21 VAL 77 HG21 VAL 77 -0.659 -3.605 -12.551 574 HG22 VAL 77 HG22 VAL 77 -1.300 -4.104 -14.117 575 HG23 VAL 77 HG23 VAL 77 0.381 -4.441 -13.703 576 H GLU 78 H GLU 78 0.658 -7.470 -13.641 577 HA GLU 78 HA GLU 78 3.486 -7.285 -12.971 578 HB2 GLU 78 HB2 GLU 78 3.496 -8.768 -15.228 579 HB3 GLU 78 HB3 GLU 78 3.290 -9.432 -13.618 580 HG2 GLU 78 HG2 GLU 78 1.669 -10.416 -15.051 581 HG3 GLU 78 HG3 GLU 78 0.834 -9.330 -13.945 582 H GLY 79 H GLY 79 1.228 -6.104 -15.346 583 HA2 GLY 79 HA2 GLY 79 2.132 -3.770 -16.019 584 HA3 GLY 79 HA3 GLY 79 3.426 -4.722 -16.734 585 H GLY 80 H GLY 80 0.907 -6.683 -17.073 586 HA2 GLY 80 HA2 GLY 80 0.260 -5.581 -19.735 587 HA3 GLY 80 HA3 GLY 80 0.309 -7.296 -19.349 588 H VAL 81 H VAL 81 -1.163 -4.556 -17.689 589 HA VAL 81 HA VAL 81 -3.817 -5.734 -18.122 590 HB VAL 81 HB VAL 81 -2.886 -4.510 -15.511 591 HG11 VAL 81 HG11 VAL 81 -5.281 -4.233 -15.971 592 HG12 VAL 81 HG12 VAL 81 -4.984 -5.299 -14.598 593 HG13 VAL 81 HG13 VAL 81 -5.432 -5.981 -16.162 594 HG21 VAL 81 HG21 VAL 81 -3.371 -7.409 -16.184 595 HG22 VAL 81 HG22 VAL 81 -3.003 -6.773 -14.581 596 HG23 VAL 81 HG23 VAL 81 -1.802 -6.665 -15.869 597 H GLU 82 H GLU 82 -5.545 -4.068 -17.869 598 HA GLU 82 HA GLU 82 -4.568 -1.396 -18.589 599 HB2 GLU 82 HB2 GLU 82 -5.560 -3.236 -20.398 600 HB3 GLU 82 HB3 GLU 82 -6.965 -2.245 -20.038 601 HG2 GLU 82 HG2 GLU 82 -4.328 -1.058 -20.828 602 HG3 GLU 82 HG3 GLU 82 -5.524 -1.573 -22.012 603 H GLY 83 H GLY 83 -6.244 0.281 -18.406 604 HA2 GLY 83 HA2 GLY 83 -7.854 -0.223 -16.017 605 HA3 GLY 83 HA3 GLY 83 -7.482 1.349 -16.712 606 H SER 84 H SER 84 -10.034 0.882 -15.928 607 HA SER 84 HA SER 84 -11.480 1.165 -18.382 608 HB2 SER 84 HB2 SER 84 -11.307 -1.315 -18.211 609 HB3 SER 84 HB3 SER 84 -12.143 -1.238 -16.661 610 HG SER 84 HG SER 84 -13.117 -0.859 -19.255 611 H GLY 85 H GLY 85 -12.477 2.977 -17.792 612 HA2 GLY 85 HA2 GLY 85 -14.186 4.218 -16.885 613 HA3 GLY 85 HA3 GLY 85 -14.732 2.760 -16.073 614 H ARG 86 H ARG 86 -14.202 2.400 -13.968 615 HA ARG 86 HA ARG 86 -13.401 4.741 -12.465 616 HB2 ARG 86 HB2 ARG 86 -14.155 1.957 -11.566 617 HB3 ARG 86 HB3 ARG 86 -13.911 3.333 -10.500 618 HG2 ARG 86 HG2 ARG 86 -15.847 4.400 -11.233 619 HG3 ARG 86 HG3 ARG 86 -15.946 3.413 -12.696 620 HD2 ARG 86 HD2 ARG 86 -16.282 2.387 -9.883 621 HD3 ARG 86 HD3 ARG 86 -17.606 2.765 -10.986 622 HE ARG 86 HE ARG 86 -16.407 1.020 -12.480 623 HH11 ARG 86 HH11 ARG 86 -16.600 0.876 -8.970 624 HH12 ARG 86 HH12 ARG 86 -16.583 -0.867 -8.936 625 HH21 ARG 86 HH21 ARG 86 -16.381 -1.270 -12.393 626 HH22 ARG 86 HH22 ARG 86 -16.473 -2.071 -10.849 627 H VAL 87 H VAL 87 -12.196 1.476 -13.032 628 HA VAL 87 HA VAL 87 -9.933 1.820 -11.276 629 HB VAL 87 HB VAL 87 -10.348 -0.409 -13.269 630 HG11 VAL 87 HG11 VAL 87 -8.827 -0.264 -10.668 631 HG12 VAL 87 HG12 VAL 87 -8.129 -0.300 -12.287 632 HG13 VAL 87 HG13 VAL 87 -9.002 -1.704 -11.672 633 HG21 VAL 87 HG21 VAL 87 -12.365 -0.198 -11.910 634 HG22 VAL 87 HG22 VAL 87 -11.389 -0.256 -10.443 635 HG23 VAL 87 HG23 VAL 87 -11.472 -1.664 -11.502 636 H VAL 88 H VAL 88 -8.217 2.973 -11.894 637 HA VAL 88 HA VAL 88 -7.546 2.979 -14.760 638 HB VAL 88 HB VAL 88 -6.421 5.138 -14.395 639 HG11 VAL 88 HG11 VAL 88 -8.445 6.505 -14.123 640 HG12 VAL 88 HG12 VAL 88 -9.310 5.082 -13.540 641 HG13 VAL 88 HG13 VAL 88 -8.707 5.129 -15.196 642 HG21 VAL 88 HG21 VAL 88 -5.870 4.927 -12.039 643 HG22 VAL 88 HG22 VAL 88 -7.582 4.966 -11.616 644 HG23 VAL 88 HG23 VAL 88 -6.813 6.392 -12.316 645 H THR 89 H THR 89 -5.327 3.027 -15.332 646 HA THR 89 HA THR 89 -3.670 1.396 -13.627 647 HB THR 89 HB THR 89 -2.034 1.908 -15.650 648 HG1 THR 89 HG1 THR 89 -3.120 3.383 -16.828 649 HG21 THR 89 HG21 THR 89 -2.993 -0.290 -15.138 650 HG22 THR 89 HG22 THR 89 -3.000 0.022 -16.874 651 HG23 THR 89 HG23 THR 89 -4.492 0.172 -15.943 652 H GLY 90 H GLY 90 -1.804 2.031 -12.600 653 HA2 GLY 90 HA2 GLY 90 -0.760 4.710 -13.032 654 HA3 GLY 90 HA3 GLY 90 -1.432 4.401 -11.436 655 H LEU 91 H LEU 91 1.191 5.107 -11.686 656 HA LEU 91 HA LEU 91 2.469 2.678 -10.695 657 HB2 LEU 91 HB2 LEU 91 3.131 2.881 -13.054 658 HB3 LEU 91 HB3 LEU 91 3.692 4.514 -12.766 659 HG LEU 91 HG LEU 91 4.946 2.397 -11.111 660 HD11 LEU 91 HD11 LEU 91 4.808 1.310 -13.302 661 HD12 LEU 91 HD12 LEU 91 6.468 1.754 -12.903 662 HD13 LEU 91 HD13 LEU 91 5.545 2.727 -14.048 663 HD21 LEU 91 HD21 LEU 91 5.992 4.769 -12.652 664 HD22 LEU 91 HD22 LEU 91 6.935 3.752 -11.562 665 HD23 LEU 91 HD23 LEU 91 5.615 4.737 -10.929 666 H THR 92 H THR 92 3.521 3.043 -8.852 667 HA THR 92 HA THR 92 3.565 5.735 -7.805 668 HB THR 92 HB THR 92 2.867 3.996 -6.285 669 HG1 THR 92 HG1 THR 92 5.502 4.783 -5.533 670 HG21 THR 92 HG21 THR 92 5.566 2.719 -6.743 671 HG22 THR 92 HG22 THR 92 4.014 2.094 -7.304 672 HG23 THR 92 HG23 THR 92 4.357 2.184 -5.576 673 HA PRO 93 HA PRO 93 7.716 6.636 -8.942 674 HB2 PRO 93 HB2 PRO 93 8.361 8.440 -7.008 675 HB3 PRO 93 HB3 PRO 93 7.295 8.818 -8.368 676 HG2 PRO 93 HG2 PRO 93 6.588 8.072 -5.554 677 HG3 PRO 93 HG3 PRO 93 5.889 9.334 -6.587 678 HD2 PRO 93 HD2 PRO 93 4.683 6.952 -6.210 679 HD3 PRO 93 HD3 PRO 93 4.578 7.832 -7.749 680 H SER 94 H SER 94 9.827 6.151 -8.435 681 HA SER 94 HA SER 94 10.217 4.295 -6.254 682 HB2 SER 94 HB2 SER 94 12.562 4.179 -7.256 683 HB3 SER 94 HB3 SER 94 11.240 3.660 -8.305 684 HG SER 94 HG SER 94 13.041 5.555 -8.749 685 H GLY 95 H GLY 95 11.744 4.543 -4.598 686 HA2 GLY 95 HA2 GLY 95 13.477 6.551 -4.041 687 HA3 GLY 95 HA3 GLY 95 11.920 7.248 -3.612 688 H LYS 96 H LYS 96 12.088 7.310 -1.420 689 HA LYS 96 HA LYS 96 11.768 4.819 -0.048 690 HB2 LYS 96 HB2 LYS 96 13.711 5.498 1.600 691 HB3 LYS 96 HB3 LYS 96 14.016 4.508 0.185 692 HG2 LYS 96 HG2 LYS 96 15.749 6.127 0.350 693 HG3 LYS 96 HG3 LYS 96 14.734 6.563 -1.022 694 HD2 LYS 96 HD2 LYS 96 13.769 7.837 1.363 695 HD3 LYS 96 HD3 LYS 96 15.487 8.179 1.147 696 HE2 LYS 96 HE2 LYS 96 13.330 8.577 -0.924 697 HE3 LYS 96 HE3 LYS 96 14.077 9.850 0.038 698 HZ1 LYS 96 HZ1 LYS 96 15.525 8.088 -1.869 699 HZ2 LYS 96 HZ2 LYS 96 16.191 9.383 -0.996 700 HZ3 LYS 96 HZ3 LYS 96 15.028 9.674 -2.198 701 H ALA 97 H ALA 97 11.068 5.022 2.101 702 HA ALA 97 HA ALA 97 10.542 7.695 3.137 703 HB1 ALA 97 HB1 ALA 97 8.140 7.304 3.359 704 HB2 ALA 97 HB2 ALA 97 8.305 5.759 2.526 705 HB3 ALA 97 HB3 ALA 97 8.630 7.263 1.666 706 H ALA 98 H ALA 98 9.222 7.400 5.276 707 HA ALA 98 HA ALA 98 10.705 5.544 6.900 708 HB1 ALA 98 HB1 ALA 98 10.224 7.779 7.737 709 HB2 ALA 98 HB2 ALA 98 9.499 6.553 8.778 710 HB3 ALA 98 HB3 ALA 98 8.492 7.456 7.645 711 H SER 99 H SER 99 10.142 3.500 7.098 712 HA SER 99 HA SER 99 7.327 2.797 7.333 713 HB2 SER 99 HB2 SER 99 7.807 2.572 4.938 714 HB3 SER 99 HB3 SER 99 9.195 1.548 5.299 715 HG SER 99 HG SER 99 6.603 0.874 6.192 716 H SER 100 H SER 100 6.960 0.899 8.463 717 HA SER 100 HA SER 100 9.292 -0.585 9.438 718 HB2 SER 100 HB2 SER 100 7.044 0.412 11.214 719 HB3 SER 100 HB3 SER 100 8.437 -0.540 11.728 720 HG SER 100 HG SER 100 9.119 1.731 10.372 721 H LEU 101 H LEU 101 8.785 -2.779 10.049 722 HA LEU 101 HA LEU 101 6.318 -3.690 8.815 723 HB2 LEU 101 HB2 LEU 101 7.282 -6.004 9.304 724 HB3 LEU 101 HB3 LEU 101 8.025 -5.035 8.055 725 HG LEU 101 HG LEU 101 9.777 -4.394 9.797 726 HD11 LEU 101 HD11 LEU 101 8.571 -5.122 11.792 727 HD12 LEU 101 HD12 LEU 101 10.111 -5.967 11.624 728 HD13 LEU 101 HD13 LEU 101 8.605 -6.785 11.207 729 HD21 LEU 101 HD21 LEU 101 11.026 -6.451 9.391 730 HD22 LEU 101 HD22 LEU 101 10.176 -5.912 7.942 731 HD23 LEU 101 HD23 LEU 101 9.537 -7.255 8.891 732 H TYR 102 H TYR 102 4.646 -4.478 9.811 733 HA TYR 102 HA TYR 102 4.688 -4.575 12.752 734 HB2 TYR 102 HB2 TYR 102 3.256 -2.827 11.816 735 HB3 TYR 102 HB3 TYR 102 2.433 -4.012 10.811 736 HD1 TYR 102 HD1 TYR 102 3.274 -3.678 14.445 737 HD2 TYR 102 HD2 TYR 102 0.314 -4.494 11.504 738 HE1 TYR 102 HE1 TYR 102 1.606 -3.985 16.222 739 HE2 TYR 102 HE2 TYR 102 -1.364 -4.808 13.270 740 HH TYR 102 HH TYR 102 -1.308 -5.475 15.754 741 H ILE 103 H ILE 103 4.605 -6.567 13.562 742 HA ILE 103 HA ILE 103 3.473 -8.707 11.876 743 HB ILE 103 HB ILE 103 5.679 -8.999 13.923 744 HG12 ILE 103 HG12 ILE 103 5.851 -9.018 10.900 745 HG13 ILE 103 HG13 ILE 103 6.387 -7.698 11.932 746 HG21 ILE 103 HG21 ILE 103 4.548 -10.933 11.906 747 HG22 ILE 103 HG22 ILE 103 4.335 -11.004 13.655 748 HG23 ILE 103 HG23 ILE 103 5.936 -11.241 12.951 749 HD11 ILE 103 HD11 ILE 103 7.513 -10.490 11.907 750 HD12 ILE 103 HD12 ILE 103 8.050 -9.168 12.944 751 HD13 ILE 103 HD13 ILE 103 8.256 -9.057 11.196 752 H GLY 104 H GLY 104 1.546 -9.248 12.646 753 HA2 GLY 104 HA2 GLY 104 0.896 -10.769 14.681 754 HA3 GLY 104 HA3 GLY 104 1.072 -9.242 15.534 755 HA PRO 105 HA PRO 105 -3.340 -9.402 14.058 756 HB2 PRO 105 HB2 PRO 105 -3.941 -8.553 16.794 757 HB3 PRO 105 HB3 PRO 105 -4.555 -9.943 15.898 758 HG2 PRO 105 HG2 PRO 105 -2.854 -10.206 17.983 759 HG3 PRO 105 HG3 PRO 105 -2.857 -11.322 16.605 760 HD2 PRO 105 HD2 PRO 105 -1.018 -9.028 17.180 761 HD3 PRO 105 HD3 PRO 105 -0.634 -10.651 16.565 762 H TYR 106 H TYR 106 -5.011 -7.478 14.730 763 HA TYR 106 HA TYR 106 -3.488 -5.064 14.080 764 HB2 TYR 106 HB2 TYR 106 -5.995 -6.128 13.214 765 HB3 TYR 106 HB3 TYR 106 -6.283 -4.569 13.979 766 HD1 TYR 106 HD1 TYR 106 -5.046 -2.545 13.118 767 HD2 TYR 106 HD2 TYR 106 -5.041 -6.269 11.061 768 HE1 TYR 106 HE1 TYR 106 -4.347 -1.397 11.055 769 HE2 TYR 106 HE2 TYR 106 -4.332 -5.137 8.998 770 HH TYR 106 HH TYR 106 -3.199 -1.931 8.919 771 H GLY 107 H GLY 107 -3.371 -3.339 15.401 772 HA2 GLY 107 HA2 GLY 107 -5.073 -2.181 17.074 773 HA3 GLY 107 HA3 GLY 107 -4.576 -3.559 18.044 774 H GLU 108 H GLU 108 -1.936 -3.774 17.547 775 HA GLU 108 HA GLU 108 -0.962 -1.630 19.194 776 HB2 GLU 108 HB2 GLU 108 0.484 -4.004 18.005 777 HB3 GLU 108 HB3 GLU 108 1.132 -2.924 19.229 778 HG2 GLU 108 HG2 GLU 108 0.438 -4.863 20.344 779 HG3 GLU 108 HG3 GLU 108 -0.761 -3.632 20.714 780 H ILE 109 H ILE 109 -1.408 -1.851 15.987 781 HA ILE 109 HA ILE 109 1.014 -0.997 14.848 782 HB ILE 109 HB ILE 109 -0.938 -1.921 13.582 783 HG12 ILE 109 HG12 ILE 109 0.020 0.753 12.545 784 HG13 ILE 109 HG13 ILE 109 0.980 -0.722 12.506 785 HG21 ILE 109 HG21 ILE 109 -2.707 -0.375 12.870 786 HG22 ILE 109 HG22 ILE 109 -2.049 0.859 13.945 787 HG23 ILE 109 HG23 ILE 109 -2.716 -0.629 14.614 788 HD11 ILE 109 HD11 ILE 109 -0.657 -1.765 11.042 789 HD12 ILE 109 HD12 ILE 109 -0.067 -0.252 10.354 790 HD13 ILE 109 HD13 ILE 109 -1.658 -0.315 11.112 791 H GLU 110 H GLU 110 -1.236 0.666 16.801 792 HA GLU 110 HA GLU 110 -0.816 3.324 15.958 793 HB2 GLU 110 HB2 GLU 110 -1.364 2.329 18.763 794 HB3 GLU 110 HB3 GLU 110 -1.601 3.969 18.178 795 HG2 GLU 110 HG2 GLU 110 -3.330 3.183 16.653 796 HG3 GLU 110 HG3 GLU 110 -3.089 1.533 17.227 797 H ALA 111 H ALA 111 0.947 1.194 18.146 798 HA ALA 111 HA ALA 111 2.777 3.147 19.100 799 HB1 ALA 111 HB1 ALA 111 3.079 0.147 18.944 800 HB2 ALA 111 HB2 ALA 111 2.386 1.049 20.291 801 HB3 ALA 111 HB3 ALA 111 4.091 1.240 19.887 802 H VAL 112 H VAL 112 2.716 0.951 16.366 803 HA VAL 112 HA VAL 112 5.332 1.417 15.410 804 HB VAL 112 HB VAL 112 2.894 0.863 13.709 805 HG11 VAL 112 HG11 VAL 112 5.815 0.252 13.294 806 HG12 VAL 112 HG12 VAL 112 4.867 1.476 12.448 807 HG13 VAL 112 HG13 VAL 112 4.503 -0.235 12.221 808 HG21 VAL 112 HG21 VAL 112 2.966 -0.770 15.510 809 HG22 VAL 112 HG22 VAL 112 4.650 -1.133 15.132 810 HG23 VAL 112 HG23 VAL 112 3.381 -1.518 13.968 811 H TYR 113 H TYR 113 2.206 2.894 14.663 812 HA TYR 113 HA TYR 113 2.983 4.703 12.713 813 HB2 TYR 113 HB2 TYR 113 0.632 4.084 13.575 814 HB3 TYR 113 HB3 TYR 113 0.886 5.329 14.789 815 HD1 TYR 113 HD1 TYR 113 1.419 7.710 13.928 816 HD2 TYR 113 HD2 TYR 113 -0.197 4.629 11.479 817 HE1 TYR 113 HE1 TYR 113 0.626 9.400 12.330 818 HE2 TYR 113 HE2 TYR 113 -0.990 6.310 9.873 819 HH TYR 113 HH TYR 113 0.027 9.543 9.945 820 H ASP 114 H ASP 114 2.822 5.163 16.230 821 HA ASP 114 HA ASP 114 3.682 7.881 16.133 822 HB2 ASP 114 HB2 ASP 114 2.291 6.909 17.953 823 HB3 ASP 114 HB3 ASP 114 3.686 5.982 18.488 824 H ALA 115 H ALA 115 5.329 4.862 16.164 825 HA ALA 115 HA ALA 115 7.743 5.709 17.398 826 HB1 ALA 115 HB1 ALA 115 7.079 3.357 17.277 827 HB2 ALA 115 HB2 ALA 115 8.687 3.627 16.600 828 HB3 ALA 115 HB3 ALA 115 7.306 3.391 15.528 829 H LEU 116 H LEU 116 6.649 5.605 14.037 830 HA LEU 116 HA LEU 116 9.140 6.040 12.820 831 HB2 LEU 116 HB2 LEU 116 6.321 6.506 11.966 832 HB3 LEU 116 HB3 LEU 116 7.613 7.193 11.006 833 HG LEU 116 HG LEU 116 7.025 5.129 9.997 834 HD11 LEU 116 HD11 LEU 116 9.416 5.579 10.093 835 HD12 LEU 116 HD12 LEU 116 9.091 3.846 10.151 836 HD13 LEU 116 HD13 LEU 116 9.527 4.712 11.625 837 HD21 LEU 116 HD21 LEU 116 5.845 4.123 11.879 838 HD22 LEU 116 HD22 LEU 116 7.381 3.836 12.696 839 HD23 LEU 116 HD23 LEU 116 7.017 3.001 11.186 840 H MET 117 H MET 117 6.951 8.222 14.402 841 HA MET 117 HA MET 117 7.806 10.672 13.363 842 HB2 MET 117 HB2 MET 117 5.819 10.325 14.824 843 HB3 MET 117 HB3 MET 117 6.897 10.089 16.188 844 HG2 MET 117 HG2 MET 117 6.934 12.616 14.577 845 HG3 MET 117 HG3 MET 117 5.790 12.372 15.892 846 HE1 MET 117 HE1 MET 117 8.213 11.926 18.960 847 HE2 MET 117 HE2 MET 117 7.552 10.656 17.930 848 HE3 MET 117 HE3 MET 117 6.529 11.999 18.439 849 H LYS 118 H LYS 118 9.126 8.673 15.951 850 HA LYS 118 HA LYS 118 11.069 10.612 16.777 851 HB2 LYS 118 HB2 LYS 118 10.101 8.644 18.139 852 HB3 LYS 118 HB3 LYS 118 11.264 7.649 17.274 853 HG2 LYS 118 HG2 LYS 118 12.967 9.456 18.106 854 HG3 LYS 118 HG3 LYS 118 11.724 9.757 19.322 855 HD2 LYS 118 HD2 LYS 118 13.063 8.162 20.347 856 HD3 LYS 118 HD3 LYS 118 11.767 7.186 19.649 857 HE2 LYS 118 HE2 LYS 118 13.833 6.094 19.167 858 HE3 LYS 118 HE3 LYS 118 13.239 6.801 17.665 859 HZ1 LYS 118 HZ1 LYS 118 15.586 7.218 17.891 860 HZ2 LYS 118 HZ2 LYS 118 15.362 7.910 19.425 861 HZ3 LYS 118 HZ3 LYS 118 14.755 8.693 18.052 862 H TRP 119 H TRP 119 10.975 7.909 14.553 863 HA TRP 119 HA TRP 119 13.801 7.699 14.243 864 HB2 TRP 119 HB2 TRP 119 12.239 5.811 13.835 865 HB3 TRP 119 HB3 TRP 119 11.612 6.660 12.426 866 HD1 TRP 119 HD1 TRP 119 14.578 4.602 13.610 867 HE1 TRP 119 HE1 TRP 119 16.088 4.042 11.597 868 HE3 TRP 119 HE3 TRP 119 12.350 7.561 10.087 869 HZ2 TRP 119 HZ2 TRP 119 16.296 4.767 8.883 870 HZ3 TRP 119 HZ3 TRP 119 13.271 7.570 7.808 871 HH2 TRP 119 HH2 TRP 119 15.202 6.202 7.222 872 H VAL 120 H VAL 120 11.212 9.241 12.367 873 HA VAL 120 HA VAL 120 12.801 9.911 10.144 874 HB VAL 120 HB VAL 120 10.333 9.934 10.142 875 HG11 VAL 120 HG11 VAL 120 9.870 10.996 12.252 876 HG12 VAL 120 HG12 VAL 120 9.123 11.916 10.947 877 HG13 VAL 120 HG13 VAL 120 10.612 12.496 11.694 878 HG21 VAL 120 HG21 VAL 120 11.649 12.496 9.274 879 HG22 VAL 120 HG22 VAL 120 10.081 11.915 8.715 880 HG23 VAL 120 HG23 VAL 120 11.542 10.998 8.348 881 H ASP 121 H ASP 121 12.090 11.631 13.123 882 HA ASP 121 HA ASP 121 13.481 14.014 12.522 883 HB2 ASP 121 HB2 ASP 121 11.930 13.945 14.380 884 HB3 ASP 121 HB3 ASP 121 12.879 12.697 15.179 885 H ASP 122 H ASP 122 14.480 10.928 13.814 886 HA ASP 122 HA ASP 122 17.103 11.689 14.593 887 HB2 ASP 122 HB2 ASP 122 16.089 9.698 15.527 888 HB3 ASP 122 HB3 ASP 122 15.913 8.989 13.924 889 H ASN 123 H ASN 123 15.765 10.211 11.663 890 HA ASN 123 HA ASN 123 18.311 9.926 10.395 891 HB2 ASN 123 HB2 ASN 123 16.116 8.608 9.971 892 HB3 ASN 123 HB3 ASN 123 15.694 9.956 8.919 893 HD21 ASN 123 HD21 ASN 123 17.869 7.309 9.457 894 HD22 ASN 123 HD22 ASN 123 18.507 7.248 7.846 895 H GLY 124 H GLY 124 15.728 12.318 10.294 896 HA2 GLY 124 HA2 GLY 124 16.063 14.602 9.887 897 HA3 GLY 124 HA3 GLY 124 17.634 14.229 9.197 898 H PHE 125 H PHE 125 14.306 13.204 8.448 899 HA PHE 125 HA PHE 125 14.569 14.400 5.792 900 HB2 PHE 125 HB2 PHE 125 14.104 11.534 6.469 901 HB3 PHE 125 HB3 PHE 125 13.203 12.211 5.129 902 HD1 PHE 125 HD2 PHE 125 16.545 11.370 6.379 903 HD2 PHE 125 HD1 PHE 125 14.275 12.759 3.059 904 HE1 PHE 125 HE2 PHE 125 18.481 11.013 4.907 905 HE2 PHE 125 HE1 PHE 125 16.210 12.404 1.582 906 HZ PHE 125 HZ PHE 125 18.316 11.530 2.507 907 H ASP 126 H ASP 126 12.402 14.493 4.689 908 HA ASP 126 HA ASP 126 10.038 13.806 6.097 909 HB2 ASP 126 HB2 ASP 126 9.116 15.863 6.699 910 HB3 ASP 126 HB3 ASP 126 10.796 16.046 7.179 911 H LEU 127 H LEU 127 8.595 13.285 4.619 912 HA LEU 127 HA LEU 127 8.669 14.628 2.005 913 HB2 LEU 127 HB2 LEU 127 8.502 11.671 2.552 914 HB3 LEU 127 HB3 LEU 127 7.947 12.365 1.045 915 HG LEU 127 HG LEU 127 10.099 11.515 0.615 916 HD11 LEU 127 HD11 LEU 127 11.424 13.507 0.081 917 HD12 LEU 127 HD12 LEU 127 10.344 14.479 1.081 918 HD13 LEU 127 HD13 LEU 127 9.728 13.686 -0.369 919 HD21 LEU 127 HD21 LEU 127 12.088 12.095 1.940 920 HD22 LEU 127 HD22 LEU 127 10.891 11.202 2.877 921 HD23 LEU 127 HD23 LEU 127 11.056 12.944 3.091 922 H SER 128 H SER 128 6.772 15.399 1.386 923 HA SER 128 HA SER 128 4.414 14.741 2.952 924 HB2 SER 128 HB2 SER 128 4.802 16.747 0.715 925 HB3 SER 128 HB3 SER 128 3.345 16.580 1.695 926 HG SER 128 HG SER 128 5.899 17.529 2.429 927 H GLY 129 H GLY 129 4.407 12.519 2.164 928 HA2 GLY 129 HA2 GLY 129 3.135 12.308 -0.491 929 HA3 GLY 129 HA3 GLY 129 4.065 11.020 0.261 930 H GLU 130 H GLU 130 2.805 9.417 0.893 931 HA GLU 130 HA GLU 130 0.388 10.002 2.402 932 HB2 GLU 130 HB2 GLU 130 -0.938 8.406 1.040 933 HB3 GLU 130 HB3 GLU 130 -0.457 9.839 0.142 934 HG2 GLU 130 HG2 GLU 130 1.420 8.529 -0.819 935 HG3 GLU 130 HG3 GLU 130 0.762 7.097 -0.028 936 H ALA 131 H ALA 131 -0.575 7.874 3.225 937 HA ALA 131 HA ALA 131 1.662 6.162 4.094 938 HB1 ALA 131 HB1 ALA 131 0.264 5.602 6.025 939 HB2 ALA 131 HB2 ALA 131 -1.022 6.633 5.398 940 HB3 ALA 131 HB3 ALA 131 0.512 7.343 5.900 941 H TYR 132 H TYR 132 1.512 3.930 3.831 942 HA TYR 132 HA TYR 132 -0.997 2.846 2.837 943 HB2 TYR 132 HB2 TYR 132 -0.015 1.727 0.928 944 HB3 TYR 132 HB3 TYR 132 0.258 3.457 0.800 945 HD1 TYR 132 HD1 TYR 132 1.841 0.199 1.412 946 HD2 TYR 132 HD2 TYR 132 2.493 4.362 0.822 947 HE1 TYR 132 HE1 TYR 132 4.232 -0.236 1.047 948 HE2 TYR 132 HE2 TYR 132 4.887 3.936 0.458 949 HH TYR 132 HH TYR 132 6.560 2.279 0.951 950 H GLU 133 H GLU 133 -1.331 0.719 3.249 951 HA GLU 133 HA GLU 133 0.739 -0.685 4.815 952 HB2 GLU 133 HB2 GLU 133 -2.269 -0.832 5.162 953 HB3 GLU 133 HB3 GLU 133 -1.079 -1.706 6.114 954 HG2 GLU 133 HG2 GLU 133 -0.259 0.351 7.063 955 HG3 GLU 133 HG3 GLU 133 -1.315 1.294 6.014 956 H ILE 134 H ILE 134 1.370 -2.574 3.884 957 HA ILE 134 HA ILE 134 -0.187 -3.557 1.628 958 HB ILE 134 HB ILE 134 1.653 -5.003 1.082 959 HG12 ILE 134 HG12 ILE 134 3.120 -4.018 3.527 960 HG13 ILE 134 HG13 ILE 134 2.224 -5.532 3.500 961 HG21 ILE 134 HG21 ILE 134 3.427 -3.351 0.720 962 HG22 ILE 134 HG22 ILE 134 2.632 -2.264 1.860 963 HG23 ILE 134 HG23 ILE 134 1.830 -2.700 0.351 964 HD11 ILE 134 HD11 ILE 134 3.656 -6.331 1.682 965 HD12 ILE 134 HD12 ILE 134 4.580 -5.922 3.129 966 HD13 ILE 134 HD13 ILE 134 4.567 -4.822 1.750 967 H TYR 135 H TYR 135 -1.173 -5.520 1.507 968 HA TYR 135 HA TYR 135 -1.184 -7.140 3.970 969 HB2 TYR 135 HB2 TYR 135 -3.516 -6.670 2.094 970 HB3 TYR 135 HB3 TYR 135 -3.537 -7.685 3.530 971 HD1 TYR 135 HD2 TYR 135 -3.454 -6.651 5.784 972 HD2 TYR 135 HD1 TYR 135 -3.721 -4.284 2.253 973 HE1 TYR 135 HE2 TYR 135 -4.165 -4.724 7.130 974 HE2 TYR 135 HE1 TYR 135 -4.436 -2.357 3.594 975 HH TYR 135 HH TYR 135 -4.244 -2.332 7.023 976 H LEU 136 H LEU 136 -0.095 -8.941 3.537 977 HA LEU 136 HA LEU 136 0.480 -9.925 0.979 978 HB2 LEU 136 HB2 LEU 136 0.527 -11.306 3.661 979 HB3 LEU 136 HB3 LEU 136 1.107 -12.051 2.187 980 HG LEU 136 HG LEU 136 2.743 -10.127 1.992 981 HD11 LEU 136 HD11 LEU 136 3.277 -8.900 4.025 982 HD12 LEU 136 HD12 LEU 136 1.919 -9.663 4.854 983 HD13 LEU 136 HD13 LEU 136 1.627 -8.568 3.502 984 HD21 LEU 136 HD21 LEU 136 2.935 -11.983 4.358 985 HD22 LEU 136 HD22 LEU 136 4.285 -11.105 3.639 986 HD23 LEU 136 HD23 LEU 136 3.430 -12.331 2.702 987 H ASP 137 H ASP 137 -2.013 -10.774 3.288 988 HA ASP 137 HA ASP 137 -3.947 -11.518 1.435 989 HB2 ASP 137 HB2 ASP 137 -2.152 -13.492 1.357 990 HB3 ASP 137 HB3 ASP 137 -2.986 -13.998 2.819 991 H ASN 138 H ASN 138 -5.575 -13.146 2.859 992 HA ASN 138 HA ASN 138 -5.811 -11.685 5.392 993 HB2 ASN 138 HB2 ASN 138 -8.119 -12.293 5.432 994 HB3 ASN 138 HB3 ASN 138 -7.764 -11.774 3.791 995 HD21 ASN 138 HD21 ASN 138 -8.731 -14.361 5.826 996 HD22 ASN 138 HD22 ASN 138 -9.057 -15.507 4.571 997 HA PRO 139 HA PRO 139 -4.363 -14.905 7.930 998 HB2 PRO 139 HB2 PRO 139 -6.262 -14.921 9.941 999 HB3 PRO 139 HB3 PRO 139 -4.895 -13.811 9.844 1000 HG2 PRO 139 HG2 PRO 139 -7.741 -13.386 9.051 1001 HG3 PRO 139 HG3 PRO 139 -6.614 -12.263 9.835 1002 HD2 PRO 139 HD2 PRO 139 -7.195 -12.073 7.223 1003 HD3 PRO 139 HD3 PRO 139 -5.565 -11.728 7.838 1004 H ALA 140 H ALA 140 -4.670 -17.025 8.583 1005 HA ALA 140 HA ALA 140 -5.480 -19.136 8.635 1006 HB1 ALA 140 HB1 ALA 140 -7.598 -18.244 9.483 1007 HB2 ALA 140 HB2 ALA 140 -7.842 -19.622 8.407 1008 HB3 ALA 140 HB3 ALA 140 -8.144 -17.986 7.824 1009 H GLU 141 H GLU 141 -6.293 -17.160 5.842 1010 HA GLU 141 HA GLU 141 -6.185 -19.429 4.043 1011 HB2 GLU 141 HB2 GLU 141 -6.264 -16.460 3.475 1012 HB3 GLU 141 HB3 GLU 141 -6.357 -17.719 2.252 1013 HG2 GLU 141 HG2 GLU 141 -8.344 -17.240 4.461 1014 HG3 GLU 141 HG3 GLU 141 -8.549 -16.821 2.762 1015 H THR 142 H THR 142 -4.178 -16.655 4.899 1016 HA THR 142 HA THR 142 -1.910 -17.926 3.529 1017 HB THR 142 HB THR 142 -2.463 -15.504 3.017 1018 HG1 THR 142 HG1 THR 142 -0.439 -15.764 2.441 1019 HG21 THR 142 HG21 THR 142 -1.407 -15.093 5.816 1020 HG22 THR 142 HG22 THR 142 -3.054 -14.776 5.270 1021 HG23 THR 142 HG23 THR 142 -1.715 -13.816 4.638 1022 H ALA 143 H ALA 143 0.211 -17.255 4.771 1023 HA ALA 143 HA ALA 143 0.626 -18.914 6.882 1024 HB1 ALA 143 HB1 ALA 143 2.380 -17.828 5.536 1025 HB2 ALA 143 HB2 ALA 143 2.701 -17.778 7.271 1026 HB3 ALA 143 HB3 ALA 143 2.113 -16.338 6.441 1027 HA PRO 144 HA PRO 144 -1.836 -16.513 9.876 1028 HB2 PRO 144 HB2 PRO 144 -2.089 -18.545 11.675 1029 HB3 PRO 144 HB3 PRO 144 -3.147 -18.347 10.274 1030 HG2 PRO 144 HG2 PRO 144 -0.806 -20.163 10.641 1031 HG3 PRO 144 HG3 PRO 144 -2.362 -20.479 9.853 1032 HD2 PRO 144 HD2 PRO 144 -0.098 -19.930 8.468 1033 HD3 PRO 144 HD3 PRO 144 -1.712 -19.483 7.885 1034 H ASP 145 H ASP 145 -1.085 -15.318 11.440 1035 HA ASP 145 HA ASP 145 0.039 -14.547 13.263 1036 HB2 ASP 145 HB2 ASP 145 -0.175 -16.780 14.259 1037 HB3 ASP 145 HB3 ASP 145 1.261 -17.313 13.394 1038 H GLN 146 H GLN 146 1.387 -15.554 10.431 1039 HA GLN 146 HA GLN 146 4.067 -14.519 11.046 1040 HB2 GLN 146 HB2 GLN 146 3.063 -16.261 8.782 1041 HB3 GLN 146 HB3 GLN 146 4.713 -15.669 8.925 1042 HG2 GLN 146 HG2 GLN 146 5.195 -17.024 10.718 1043 HG3 GLN 146 HG3 GLN 146 3.501 -17.209 11.167 1044 HE21 GLN 146 HE21 GLN 146 2.253 -18.743 10.159 1045 HE22 GLN 146 HE22 GLN 146 2.931 -19.983 9.161 1046 H LEU 147 H LEU 147 1.692 -12.925 10.635 1047 HA LEU 147 HA LEU 147 1.783 -11.871 7.958 1048 HB2 LEU 147 HB2 LEU 147 0.286 -10.901 10.391 1049 HB3 LEU 147 HB3 LEU 147 0.027 -10.357 8.745 1050 HG LEU 147 HG LEU 147 -0.473 -13.160 9.753 1051 HD11 LEU 147 HD11 LEU 147 -2.079 -11.580 10.658 1052 HD12 LEU 147 HD12 LEU 147 -2.837 -12.607 9.441 1053 HD13 LEU 147 HD13 LEU 147 -2.393 -10.946 9.043 1054 HD21 LEU 147 HD21 LEU 147 -1.086 -11.904 7.082 1055 HD22 LEU 147 HD22 LEU 147 -1.504 -13.541 7.588 1056 HD23 LEU 147 HD23 LEU 147 0.188 -13.082 7.396 1057 H ARG 148 H ARG 148 3.665 -10.848 7.564 1058 HA ARG 148 HA ARG 148 4.534 -8.739 9.392 1059 HB2 ARG 148 HB2 ARG 148 6.536 -8.635 7.819 1060 HB3 ARG 148 HB3 ARG 148 6.366 -10.096 8.780 1061 HG2 ARG 148 HG2 ARG 148 5.430 -11.263 6.851 1062 HG3 ARG 148 HG3 ARG 148 5.582 -9.793 5.885 1063 HD2 ARG 148 HD2 ARG 148 7.995 -9.837 6.166 1064 HD3 ARG 148 HD3 ARG 148 7.870 -11.259 7.200 1065 HE ARG 148 HE ARG 148 6.728 -12.189 5.006 1066 HH11 ARG 148 HH11 ARG 148 9.640 -10.269 5.343 1067 HH12 ARG 148 HH12 ARG 148 10.379 -10.906 3.905 1068 HH21 ARG 148 HH21 ARG 148 7.682 -13.033 3.139 1069 HH22 ARG 148 HH22 ARG 148 9.255 -12.482 2.634 1070 H THR 149 H THR 149 3.634 -6.833 9.076 1071 HA THR 149 HA THR 149 2.578 -6.181 6.412 1072 HB THR 149 HB THR 149 1.908 -4.904 9.072 1073 HG1 THR 149 HG1 THR 149 1.070 -6.891 9.279 1074 HG21 THR 149 HG21 THR 149 1.410 -3.484 7.150 1075 HG22 THR 149 HG22 THR 149 -0.080 -4.081 7.881 1076 HG23 THR 149 HG23 THR 149 0.520 -4.805 6.389 1077 H ARG 150 H ARG 150 3.796 -4.852 5.236 1078 HA ARG 150 HA ARG 150 5.698 -3.045 6.426 1079 HB2 ARG 150 HB2 ARG 150 6.200 -4.117 4.280 1080 HB3 ARG 150 HB3 ARG 150 4.779 -3.372 3.560 1081 HG2 ARG 150 HG2 ARG 150 5.826 -1.143 4.066 1082 HG3 ARG 150 HG3 ARG 150 7.298 -2.021 4.488 1083 HD2 ARG 150 HD2 ARG 150 5.884 -2.053 1.823 1084 HD3 ARG 150 HD3 ARG 150 7.400 -1.235 2.191 1085 HE ARG 150 HE ARG 150 7.629 -3.993 2.788 1086 HH11 ARG 150 HH11 ARG 150 7.431 -1.803 0.055 1087 HH12 ARG 150 HH12 ARG 150 8.322 -2.847 -1.016 1088 HH21 ARG 150 HH21 ARG 150 8.815 -5.353 1.396 1089 HH22 ARG 150 HH22 ARG 150 9.116 -4.869 -0.247 1090 H VAL 151 H VAL 151 4.712 -1.433 7.568 1091 HA VAL 151 HA VAL 151 2.639 0.117 6.190 1092 HB VAL 151 HB VAL 151 2.101 -0.622 8.494 1093 HG11 VAL 151 HG11 VAL 151 4.355 1.184 9.343 1094 HG12 VAL 151 HG12 VAL 151 4.315 -0.572 9.481 1095 HG13 VAL 151 HG13 VAL 151 3.188 0.410 10.416 1096 HG21 VAL 151 HG21 VAL 151 2.376 2.364 8.180 1097 HG22 VAL 151 HG22 VAL 151 1.302 1.538 9.311 1098 HG23 VAL 151 HG23 VAL 151 1.053 1.368 7.574 1099 H SER 152 H SER 152 3.192 1.902 5.177 1100 HA SER 152 HA SER 152 5.661 3.290 6.011 1101 HB2 SER 152 HB2 SER 152 5.721 2.285 3.710 1102 HB3 SER 152 HB3 SER 152 4.374 3.332 3.269 1103 HG SER 152 HG SER 152 5.693 5.121 3.658 1104 H LEU 153 H LEU 153 5.499 5.449 6.514 1105 HA LEU 153 HA LEU 153 2.726 6.477 6.492 1106 HB2 LEU 153 HB2 LEU 153 4.832 6.962 8.588 1107 HB3 LEU 153 HB3 LEU 153 3.168 7.512 8.635 1108 HG LEU 153 HG LEU 153 4.040 4.623 8.706 1109 HD11 LEU 153 HD11 LEU 153 2.993 6.400 10.899 1110 HD12 LEU 153 HD12 LEU 153 4.654 5.829 10.735 1111 HD13 LEU 153 HD13 LEU 153 3.351 4.679 11.037 1112 HD21 LEU 153 HD21 LEU 153 1.326 5.897 9.031 1113 HD22 LEU 153 HD22 LEU 153 1.691 4.189 9.277 1114 HD23 LEU 153 HD23 LEU 153 1.859 4.905 7.674 1115 H MET 154 H MET 154 2.582 8.864 6.817 1116 HA MET 154 HA MET 154 4.270 10.274 4.984 1117 HB2 MET 154 HB2 MET 154 2.187 11.308 6.925 1118 HB3 MET 154 HB3 MET 154 2.940 12.254 5.650 1119 HG2 MET 154 HG2 MET 154 1.944 10.819 3.967 1120 HG3 MET 154 HG3 MET 154 1.232 9.814 5.228 1121 HE1 MET 154 HE1 MET 154 0.055 14.224 4.540 1122 HE2 MET 154 HE2 MET 154 1.245 13.376 3.552 1123 HE3 MET 154 HE3 MET 154 1.587 13.717 5.248 1124 H LEU 155 H LEU 155 6.363 10.280 5.739 1125 HA LEU 155 HA LEU 155 6.984 10.666 8.486 1126 HB2 LEU 155 HB2 LEU 155 9.306 10.599 7.823 1127 HB3 LEU 155 HB3 LEU 155 8.400 9.310 7.065 1128 HG LEU 155 HG LEU 155 9.116 11.860 5.620 1129 HD11 LEU 155 HD11 LEU 155 11.171 10.781 6.355 1130 HD12 LEU 155 HD12 LEU 155 10.961 10.589 4.614 1131 HD13 LEU 155 HD13 LEU 155 10.616 9.241 5.699 1132 HD21 LEU 155 HD21 LEU 155 8.304 9.120 4.640 1133 HD22 LEU 155 HD22 LEU 155 8.734 10.497 3.623 1134 HD23 LEU 155 HD23 LEU 155 7.290 10.564 4.635 1135 H HIS 156 H HIS 156 6.201 12.869 6.087 1136 HA HIS 156 HA HIS 156 7.739 15.103 6.822 1137 HB2 HIS 156 HB2 HIS 156 6.446 15.190 4.803 1138 HB3 HIS 156 HB3 HIS 156 4.951 14.882 5.674 1139 HD1 HIS 156 HD1 HIS 156 7.608 17.608 5.400 1140 HD2 HIS 156 HD2 HIS 156 3.579 17.119 6.338 1141 HE1 HIS 156 HE1 HIS 156 6.684 19.925 5.698 1142 HE2 HIS 156 HE2 HIS 156 4.300 19.594 6.439 1143 H GLU 157 H GLU 157 4.519 14.063 7.931 1144 HA GLU 157 HA GLU 157 5.028 15.257 10.527 1145 HB2 GLU 157 HB2 GLU 157 2.801 16.131 8.695 1146 HB3 GLU 157 HB3 GLU 157 2.663 16.284 10.440 1147 HG2 GLU 157 HG2 GLU 157 4.599 17.732 10.498 1148 HG3 GLU 157 HG3 GLU 157 4.836 17.517 8.765 1149 H SER 158 H SER 158 4.741 13.536 11.783 1150 HA SER 158 HA SER 158 2.720 11.555 11.219 1151 HB2 SER 158 HB2 SER 158 4.465 11.846 13.679 1152 HB3 SER 158 HB3 SER 158 3.586 10.402 13.168 1153 HG SER 158 HG SER 158 5.078 11.120 11.132 1154 H LEU 159 H LEU 159 0.684 11.594 11.982 1155 HA LEU 159 HA LEU 159 -0.031 13.776 13.777 1156 HB2 LEU 159 HB2 LEU 159 -1.778 12.111 11.961 1157 HB3 LEU 159 HB3 LEU 159 -2.311 13.477 12.924 1158 HG LEU 159 HG LEU 159 -0.386 13.578 10.599 1159 HD11 LEU 159 HD11 LEU 159 -2.173 14.885 9.532 1160 HD12 LEU 159 HD12 LEU 159 -3.213 14.565 10.921 1161 HD13 LEU 159 HD13 LEU 159 -2.671 13.233 9.899 1162 HD21 LEU 159 HD21 LEU 159 -0.475 16.008 10.880 1163 HD22 LEU 159 HD22 LEU 159 0.214 15.220 12.301 1164 HD23 LEU 159 HD23 LEU 159 -1.450 15.806 12.336 1165 H GLU 160 H GLU 160 -1.407 13.444 15.474 1166 HA GLU 160 HA GLU 160 -2.146 12.476 17.368 1167 HB2 GLU 160 HB2 GLU 160 -3.622 11.196 15.892 1168 HB3 GLU 160 HB3 GLU 160 -2.374 9.975 15.686 1169 HG2 GLU 160 HG2 GLU 160 -2.519 9.340 17.989 1170 HG3 GLU 160 HG3 GLU 160 -3.602 10.686 18.342 1171 H HIS 161 H HIS 161 -0.247 12.784 18.446 1172 HA HIS 161 HA HIS 161 1.864 10.862 18.486 1173 HB2 HIS 161 HB2 HIS 161 2.128 13.281 19.078 1174 HB3 HIS 161 HB3 HIS 161 1.187 12.992 20.533 1175 HD1 HIS 161 HD1 HIS 161 3.677 10.382 19.597 1176 HD2 HIS 161 HD2 HIS 161 3.456 13.747 22.042 1177 HE1 HIS 161 HE1 HIS 161 5.714 10.300 21.069 1178 HE2 HIS 161 HE2 HIS 161 5.691 12.481 22.322 1179 H HIS 162 H HIS 162 1.039 8.859 18.938 1180 HA HIS 162 HA HIS 162 -0.818 8.453 21.110 1181 HB2 HIS 162 HB2 HIS 162 -0.774 7.144 18.912 1182 HB3 HIS 162 HB3 HIS 162 0.624 6.297 19.563 1183 HD1 HIS 162 HD1 HIS 162 0.171 4.402 21.203 1184 HD2 HIS 162 HD2 HIS 162 -3.218 6.640 20.307 1185 HE1 HIS 162 HE1 HIS 162 -1.761 3.118 22.170 1186 HE2 HIS 162 HE2 HIS 162 -3.814 4.407 21.474 1187 H HIS 163 H HIS 163 1.898 6.302 20.584 1188 HA HIS 163 HA HIS 163 3.445 7.067 22.813 1189 HB2 HIS 163 HB2 HIS 163 1.254 5.131 23.314 1190 HB3 HIS 163 HB3 HIS 163 2.835 4.656 23.923 1191 HD1 HIS 163 HD1 HIS 163 -0.080 6.218 25.070 1192 HD2 HIS 163 HD2 HIS 163 3.970 7.095 25.443 1193 HE1 HIS 163 HE1 HIS 163 0.107 7.737 27.071 1194 HE2 HIS 163 HE2 HIS 163 2.577 8.193 27.326 1195 H HIS 164 H HIS 164 5.375 6.008 22.824 1196 HA HIS 164 HA HIS 164 5.656 3.488 21.393 1197 HB2 HIS 164 HB2 HIS 164 7.584 4.265 20.087 1198 HB3 HIS 164 HB3 HIS 164 6.149 5.195 19.677 1199 HD1 HIS 164 HD1 HIS 164 6.163 7.695 20.185 1200 HD2 HIS 164 HD2 HIS 164 9.607 5.712 21.442 1201 HE1 HIS 164 HE1 HIS 164 7.829 9.499 20.758 1202 HE2 HIS 164 HE2 HIS 164 9.819 8.278 21.711 1203 H HIS 165 H HIS 165 7.725 2.405 21.951 1204 HA HIS 165 HA HIS 165 9.178 3.506 24.203 1205 HB2 HIS 165 HB2 HIS 165 7.008 2.391 25.051 1206 HB3 HIS 165 HB3 HIS 165 7.767 0.867 24.599 1207 HD1 HIS 165 HD1 HIS 165 9.637 -0.021 26.116 1208 HD2 HIS 165 HD2 HIS 165 8.167 3.703 27.260 1209 HE1 HIS 165 HE1 HIS 165 10.564 0.404 28.420 1210 HE2 HIS 165 HE2 HIS 165 9.538 2.590 29.152 1211 H HIS 166 H HIS 166 11.159 2.479 24.545 1212 HA HIS 166 HA HIS 166 11.735 0.053 23.013 1213 HB2 HIS 166 HB2 HIS 166 13.268 2.638 22.879 1214 HB3 HIS 166 HB3 HIS 166 14.083 1.101 22.613 1215 HD1 HIS 166 HD1 HIS 166 12.511 -0.434 20.744 1216 HD2 HIS 166 HD2 HIS 166 12.584 3.718 20.520 1217 HE1 HIS 166 HE1 HIS 166 11.874 0.130 18.378 1218 HE2 HIS 166 HE2 HIS 166 12.201 2.617 18.212 Start of MODEL 11 1 H1 MET 1 H1 MET 1 1.730 -12.879 25.373 2 H2 MET 1 H2 MET 1 3.374 -12.598 25.697 3 H3 MET 1 H3 MET 1 2.557 -11.650 24.549 4 HA MET 1 HA MET 1 1.172 -10.691 26.228 5 HB2 MET 1 HB2 MET 1 2.809 -12.397 28.117 6 HB3 MET 1 HB3 MET 1 1.681 -11.145 28.615 7 HG2 MET 1 HG2 MET 1 -0.157 -12.398 27.607 8 HG3 MET 1 HG3 MET 1 0.978 -13.649 27.098 9 HE1 MET 1 HE1 MET 1 -0.416 -15.551 28.289 10 HE2 MET 1 HE2 MET 1 -1.611 -14.336 28.743 11 HE3 MET 1 HE3 MET 1 -0.979 -15.447 29.958 12 H ASP 2 H ASP 2 1.789 -8.681 26.507 13 HA ASP 2 HA ASP 2 2.994 -6.812 26.853 14 HB2 ASP 2 HB2 ASP 2 4.843 -8.706 28.301 15 HB3 ASP 2 HB3 ASP 2 5.067 -6.961 28.269 16 H PHE 3 H PHE 3 5.837 -8.924 26.550 17 HA PHE 3 HA PHE 3 7.009 -7.035 24.736 18 HB2 PHE 3 HB2 PHE 3 8.326 -8.245 26.466 19 HB3 PHE 3 HB3 PHE 3 8.061 -9.742 25.580 20 HD1 PHE 3 HD2 PHE 3 9.389 -6.301 25.068 21 HD2 PHE 3 HD1 PHE 3 9.654 -10.427 24.065 22 HE1 PHE 3 HE2 PHE 3 11.390 -5.838 23.714 23 HE2 PHE 3 HE1 PHE 3 11.658 -9.975 22.712 24 HZ PHE 3 HZ PHE 3 12.528 -7.677 22.534 25 H GLU 4 H GLU 4 5.456 -7.164 23.070 26 HA GLU 4 HA GLU 4 6.188 -9.137 21.044 27 HB2 GLU 4 HB2 GLU 4 3.329 -8.538 21.851 28 HB3 GLU 4 HB3 GLU 4 3.798 -9.449 20.424 29 HG2 GLU 4 HG2 GLU 4 4.663 -11.223 21.734 30 HG3 GLU 4 HG3 GLU 4 4.520 -10.280 23.217 31 H CYS 5 H CYS 5 4.902 -8.424 18.933 32 HA CYS 5 HA CYS 5 4.529 -6.864 17.330 33 HB2 CYS 5 HB2 CYS 5 3.739 -5.105 19.662 34 HB3 CYS 5 HB3 CYS 5 3.283 -4.870 17.976 35 HG CYS 5 HG CYS 5 2.242 -7.780 18.383 36 H GLN 6 H GLN 6 7.171 -7.093 18.191 37 HA GLN 6 HA GLN 6 8.300 -4.500 18.613 38 HB2 GLN 6 HB2 GLN 6 10.487 -5.675 18.084 39 HB3 GLN 6 HB3 GLN 6 9.593 -6.283 19.466 40 HG2 GLN 6 HG2 GLN 6 9.253 -7.577 16.796 41 HG3 GLN 6 HG3 GLN 6 10.675 -7.932 17.773 42 HE21 GLN 6 HE21 GLN 6 10.434 -9.038 19.718 43 HE22 GLN 6 HE22 GLN 6 8.986 -9.916 20.095 44 H PHE 7 H PHE 7 7.403 -3.267 16.960 45 HA PHE 7 HA PHE 7 7.733 -3.898 14.220 46 HB2 PHE 7 HB2 PHE 7 7.293 -1.309 14.008 47 HB3 PHE 7 HB3 PHE 7 6.004 -2.406 14.476 48 HD1 PHE 7 HD2 PHE 7 8.397 0.111 15.719 49 HD2 PHE 7 HD1 PHE 7 4.977 -2.262 16.603 50 HE1 PHE 7 HE2 PHE 7 7.995 1.449 17.744 51 HE2 PHE 7 HE1 PHE 7 4.564 -0.923 18.623 52 HZ PHE 7 HZ PHE 7 6.073 0.933 19.198 53 H VAL 8 H VAL 8 9.582 -4.037 13.227 54 HA VAL 8 HA VAL 8 11.832 -2.385 14.061 55 HB VAL 8 HB VAL 8 12.283 -4.753 13.713 56 HG11 VAL 8 HG11 VAL 8 11.473 -4.295 10.847 57 HG12 VAL 8 HG12 VAL 8 10.574 -5.232 12.040 58 HG13 VAL 8 HG13 VAL 8 12.164 -5.777 11.504 59 HG21 VAL 8 HG21 VAL 8 14.184 -4.554 12.159 60 HG22 VAL 8 HG22 VAL 8 14.092 -3.207 13.293 61 HG23 VAL 8 HG23 VAL 8 13.559 -2.995 11.624 62 H CYS 9 H CYS 9 12.629 -0.732 12.900 63 HA CYS 9 HA CYS 9 11.048 0.110 10.588 64 HB2 CYS 9 HB2 CYS 9 12.992 1.709 12.271 65 HB3 CYS 9 HB3 CYS 9 11.916 2.347 11.031 66 HG CYS 9 HG CYS 9 11.245 1.476 14.211 67 H GLU 10 H GLU 10 11.848 -0.121 8.619 68 HA GLU 10 HA GLU 10 14.779 -0.088 8.269 69 HB2 GLU 10 HB2 GLU 10 12.734 -1.645 6.677 70 HB3 GLU 10 HB3 GLU 10 14.446 -1.553 6.303 71 HG2 GLU 10 HG2 GLU 10 14.957 -2.640 8.440 72 HG3 GLU 10 HG3 GLU 10 13.230 -2.770 8.771 73 H LEU 11 H LEU 11 15.556 1.345 6.816 74 HA LEU 11 HA LEU 11 13.661 2.882 5.220 75 HB2 LEU 11 HB2 LEU 11 15.526 4.038 6.397 76 HB3 LEU 11 HB3 LEU 11 16.670 3.143 5.417 77 HG LEU 11 HG LEU 11 14.614 4.921 4.124 78 HD11 LEU 11 HD11 LEU 11 15.753 6.282 5.782 79 HD12 LEU 11 HD12 LEU 11 16.257 6.723 4.149 80 HD13 LEU 11 HD13 LEU 11 17.314 5.742 5.166 81 HD21 LEU 11 HD21 LEU 11 15.875 3.397 2.681 82 HD22 LEU 11 HD22 LEU 11 17.387 4.049 3.309 83 HD23 LEU 11 HD23 LEU 11 16.309 5.077 2.367 84 H LYS 12 H LYS 12 13.131 2.213 3.253 85 HA LYS 12 HA LYS 12 15.074 0.554 1.823 86 HB2 LYS 12 HB2 LYS 12 12.177 -0.024 2.363 87 HB3 LYS 12 HB3 LYS 12 12.978 -0.714 0.959 88 HG2 LYS 12 HG2 LYS 12 14.005 -1.049 3.766 89 HG3 LYS 12 HG3 LYS 12 12.896 -2.184 2.989 90 HD2 LYS 12 HD2 LYS 12 15.567 -1.387 1.841 91 HD3 LYS 12 HD3 LYS 12 15.314 -2.823 2.838 92 HE2 LYS 12 HE2 LYS 12 13.876 -3.794 1.231 93 HE3 LYS 12 HE3 LYS 12 13.735 -2.283 0.335 94 HZ1 LYS 12 HZ1 LYS 12 15.891 -2.491 -0.495 95 HZ2 LYS 12 HZ2 LYS 12 15.247 -4.058 -0.615 96 HZ3 LYS 12 HZ3 LYS 12 16.327 -3.678 0.638 97 H GLU 13 H GLU 13 14.153 0.149 -0.500 98 HA GLU 13 HA GLU 13 13.908 2.787 -1.672 99 HB2 GLU 13 HB2 GLU 13 14.138 0.103 -3.055 100 HB3 GLU 13 HB3 GLU 13 14.354 1.680 -3.791 101 HG2 GLU 13 HG2 GLU 13 16.506 0.803 -3.511 102 HG3 GLU 13 HG3 GLU 13 16.312 2.004 -2.235 103 H LEU 14 H LEU 14 12.196 3.463 -2.929 104 HA LEU 14 HA LEU 14 9.917 1.607 -3.125 105 HB2 LEU 14 HB2 LEU 14 9.906 3.933 -1.687 106 HB3 LEU 14 HB3 LEU 14 9.315 4.489 -3.240 107 HG LEU 14 HG LEU 14 7.458 3.944 -1.774 108 HD11 LEU 14 HD11 LEU 14 7.782 1.938 -3.997 109 HD12 LEU 14 HD12 LEU 14 7.102 3.560 -4.131 110 HD13 LEU 14 HD13 LEU 14 6.265 2.327 -3.186 111 HD21 LEU 14 HD21 LEU 14 8.552 2.331 -0.335 112 HD22 LEU 14 HD22 LEU 14 8.652 1.179 -1.668 113 HD23 LEU 14 HD23 LEU 14 7.079 1.644 -1.019 114 H ALA 15 H ALA 15 9.825 0.959 -5.159 115 HA ALA 15 HA ALA 15 10.753 2.717 -7.291 116 HB1 ALA 15 HB1 ALA 15 9.933 -0.187 -7.403 117 HB2 ALA 15 HB2 ALA 15 11.584 0.402 -7.214 118 HB3 ALA 15 HB3 ALA 15 10.694 0.735 -8.700 119 HA PRO 16 HA PRO 16 6.583 3.594 -8.530 120 HB2 PRO 16 HB2 PRO 16 7.077 4.672 -10.947 121 HB3 PRO 16 HB3 PRO 16 7.484 5.512 -9.447 122 HG2 PRO 16 HG2 PRO 16 9.251 4.013 -11.322 123 HG3 PRO 16 HG3 PRO 16 9.580 5.501 -10.417 124 HD2 PRO 16 HD2 PRO 16 10.439 2.975 -9.682 125 HD3 PRO 16 HD3 PRO 16 10.276 4.352 -8.577 126 H VAL 17 H VAL 17 5.483 1.751 -8.847 127 HA VAL 17 HA VAL 17 5.873 0.364 -11.423 128 HB VAL 17 HB VAL 17 4.816 -0.855 -8.857 129 HG11 VAL 17 HG11 VAL 17 5.138 -2.991 -10.006 130 HG12 VAL 17 HG12 VAL 17 5.655 -2.129 -11.454 131 HG13 VAL 17 HG13 VAL 17 4.002 -1.951 -10.867 132 HG21 VAL 17 HG21 VAL 17 7.564 -1.121 -10.070 133 HG22 VAL 17 HG22 VAL 17 6.957 -2.024 -8.682 134 HG23 VAL 17 HG23 VAL 17 7.163 -0.276 -8.574 135 HA PRO 18 HA PRO 18 1.609 1.490 -12.185 136 HB2 PRO 18 HB2 PRO 18 1.021 -0.431 -14.039 137 HB3 PRO 18 HB3 PRO 18 1.920 1.043 -14.411 138 HG2 PRO 18 HG2 PRO 18 2.941 -1.716 -13.875 139 HG3 PRO 18 HG3 PRO 18 3.472 -0.543 -15.095 140 HD2 PRO 18 HD2 PRO 18 4.833 -0.954 -12.800 141 HD3 PRO 18 HD3 PRO 18 4.751 0.639 -13.580 142 H ALA 19 H ALA 19 0.528 1.011 -10.337 143 HA ALA 19 HA ALA 19 -0.059 -1.778 -9.699 144 HB1 ALA 19 HB1 ALA 19 -0.994 -0.886 -7.613 145 HB2 ALA 19 HB2 ALA 19 -0.692 0.756 -8.184 146 HB3 ALA 19 HB3 ALA 19 0.660 -0.332 -7.872 147 H LEU 20 H LEU 20 -2.186 -2.565 -9.518 148 HA LEU 20 HA LEU 20 -4.186 -1.003 -11.023 149 HB2 LEU 20 HB2 LEU 20 -3.274 -3.356 -11.768 150 HB3 LEU 20 HB3 LEU 20 -4.354 -3.958 -10.529 151 HG LEU 20 HG LEU 20 -5.332 -4.053 -12.792 152 HD11 LEU 20 HD11 LEU 20 -6.829 -3.920 -10.900 153 HD12 LEU 20 HD12 LEU 20 -7.482 -2.986 -12.246 154 HD13 LEU 20 HD13 LEU 20 -6.708 -2.161 -10.893 155 HD21 LEU 20 HD21 LEU 20 -5.984 -2.002 -13.928 156 HD22 LEU 20 HD22 LEU 20 -4.234 -2.069 -13.716 157 HD23 LEU 20 HD23 LEU 20 -5.211 -1.042 -12.668 158 H LEU 21 H LEU 21 -5.877 -0.261 -9.865 159 HA LEU 21 HA LEU 21 -6.916 -1.703 -7.613 160 HB2 LEU 21 HB2 LEU 21 -6.572 0.200 -5.994 161 HB3 LEU 21 HB3 LEU 21 -5.176 -0.787 -6.345 162 HG LEU 21 HG LEU 21 -4.750 1.675 -6.078 163 HD11 LEU 21 HD11 LEU 21 -3.174 1.844 -7.915 164 HD12 LEU 21 HD12 LEU 21 -3.950 0.477 -8.713 165 HD13 LEU 21 HD13 LEU 21 -3.132 0.248 -7.166 166 HD21 LEU 21 HD21 LEU 21 -6.687 2.564 -7.236 167 HD22 LEU 21 HD22 LEU 21 -6.107 1.885 -8.757 168 HD23 LEU 21 HD23 LEU 21 -5.192 3.162 -7.956 169 H ILE 22 H ILE 22 -8.673 -0.459 -6.489 170 HA ILE 22 HA ILE 22 -9.899 1.539 -8.261 171 HB ILE 22 HB ILE 22 -11.116 0.128 -5.861 172 HG12 ILE 22 HG12 ILE 22 -12.688 -0.767 -7.713 173 HG13 ILE 22 HG13 ILE 22 -11.405 -0.314 -8.827 174 HG21 ILE 22 HG21 ILE 22 -12.337 2.055 -7.829 175 HG22 ILE 22 HG22 ILE 22 -12.008 2.360 -6.124 176 HG23 ILE 22 HG23 ILE 22 -13.222 1.168 -6.588 177 HD11 ILE 22 HD11 ILE 22 -11.275 -2.659 -8.266 178 HD12 ILE 22 HD12 ILE 22 -11.174 -2.264 -6.549 179 HD13 ILE 22 HD13 ILE 22 -9.869 -1.798 -7.641 180 H ARG 23 H ARG 23 -9.061 3.488 -7.778 181 HA ARG 23 HA ARG 23 -8.289 4.060 -5.032 182 HB2 ARG 23 HB2 ARG 23 -7.275 6.115 -5.960 183 HB3 ARG 23 HB3 ARG 23 -6.657 4.650 -6.704 184 HG2 ARG 23 HG2 ARG 23 -8.121 5.035 -8.638 185 HG3 ARG 23 HG3 ARG 23 -8.681 6.533 -7.891 186 HD2 ARG 23 HD2 ARG 23 -6.366 7.368 -7.880 187 HD3 ARG 23 HD3 ARG 23 -5.844 5.889 -8.685 188 HE ARG 23 HE ARG 23 -7.903 7.148 -10.166 189 HH11 ARG 23 HH11 ARG 23 -4.513 7.433 -9.378 190 HH12 ARG 23 HH12 ARG 23 -4.103 8.287 -10.835 191 HH21 ARG 23 HH21 ARG 23 -7.403 8.247 -12.085 192 HH22 ARG 23 HH22 ARG 23 -5.757 8.736 -12.405 193 H THR 24 H THR 24 -9.569 5.062 -3.682 194 HA THR 24 HA THR 24 -11.447 7.057 -4.666 195 HB THR 24 HB THR 24 -12.664 4.884 -4.876 196 HG1 THR 24 HG1 THR 24 -14.177 5.971 -2.912 197 HG21 THR 24 HG21 THR 24 -13.401 3.732 -2.846 198 HG22 THR 24 HG22 THR 24 -12.436 4.834 -1.864 199 HG23 THR 24 HG23 THR 24 -11.643 3.716 -2.976 200 H GLN 25 H GLN 25 -12.657 8.066 -2.809 201 HA GLN 25 HA GLN 25 -10.820 8.397 -0.568 202 HB2 GLN 25 HB2 GLN 25 -12.199 10.348 0.005 203 HB3 GLN 25 HB3 GLN 25 -11.648 10.425 -1.664 204 HG2 GLN 25 HG2 GLN 25 -13.825 9.649 -2.432 205 HG3 GLN 25 HG3 GLN 25 -14.383 9.542 -0.763 206 HE21 GLN 25 HE21 GLN 25 -15.453 11.099 -2.954 207 HE22 GLN 25 HE22 GLN 25 -15.397 12.753 -2.444 208 H THR 26 H THR 26 -11.575 8.290 1.622 209 HA THR 26 HA THR 26 -14.211 7.259 2.153 210 HB THR 26 HB THR 26 -12.969 5.181 1.568 211 HG1 THR 26 HG1 THR 26 -14.661 5.058 3.100 212 HG21 THR 26 HG21 THR 26 -10.732 5.889 2.323 213 HG22 THR 26 HG22 THR 26 -11.209 4.352 3.045 214 HG23 THR 26 HG23 THR 26 -11.287 5.836 3.996 215 H ALA 27 H ALA 27 -14.796 7.499 4.304 216 HA ALA 27 HA ALA 27 -12.785 8.664 6.109 217 HB1 ALA 27 HB1 ALA 27 -14.491 10.219 6.951 218 HB2 ALA 27 HB2 ALA 27 -15.607 9.650 5.709 219 HB3 ALA 27 HB3 ALA 27 -14.130 10.498 5.247 220 H MET 28 H MET 28 -13.201 8.312 8.328 221 HA MET 28 HA MET 28 -13.977 7.317 10.175 222 HB2 MET 28 HB2 MET 28 -16.492 6.999 8.526 223 HB3 MET 28 HB3 MET 28 -16.379 6.698 10.255 224 HG2 MET 28 HG2 MET 28 -15.881 9.008 10.678 225 HG3 MET 28 HG3 MET 28 -15.793 9.345 8.951 226 HE1 MET 28 HE1 MET 28 -18.241 7.610 7.863 227 HE2 MET 28 HE2 MET 28 -17.903 9.255 7.322 228 HE3 MET 28 HE3 MET 28 -19.526 8.817 7.858 229 H SER 29 H SER 29 -15.705 5.178 10.417 230 HA SER 29 HA SER 29 -13.823 3.055 10.059 231 HB2 SER 29 HB2 SER 29 -16.661 2.901 11.088 232 HB3 SER 29 HB3 SER 29 -15.375 1.722 11.355 233 HG SER 29 HG SER 29 -14.597 2.924 12.900 234 H GLU 30 H GLU 30 -15.307 4.258 7.650 235 HA GLU 30 HA GLU 30 -16.963 2.169 6.607 236 HB2 GLU 30 HB2 GLU 30 -17.261 4.477 5.882 237 HB3 GLU 30 HB3 GLU 30 -15.619 4.518 5.259 238 HG2 GLU 30 HG2 GLU 30 -16.223 2.777 3.625 239 HG3 GLU 30 HG3 GLU 30 -17.885 2.837 4.211 240 H LEU 31 H LEU 31 -13.589 2.743 6.740 241 HA LEU 31 HA LEU 31 -12.637 1.696 4.379 242 HB2 LEU 31 HB2 LEU 31 -10.546 1.225 5.654 243 HB3 LEU 31 HB3 LEU 31 -11.155 2.859 5.793 244 HG LEU 31 HG LEU 31 -12.254 1.901 8.008 245 HD11 LEU 31 HD11 LEU 31 -10.775 0.297 9.115 246 HD12 LEU 31 HD12 LEU 31 -9.842 0.129 7.627 247 HD13 LEU 31 HD13 LEU 31 -11.525 -0.396 7.677 248 HD21 LEU 31 HD21 LEU 31 -10.694 3.768 7.878 249 HD22 LEU 31 HD22 LEU 31 -9.341 2.644 7.754 250 HD23 LEU 31 HD23 LEU 31 -10.300 2.710 9.233 251 H GLY 32 H GLY 32 -13.782 -0.051 7.197 252 HA2 GLY 32 HA2 GLY 32 -12.683 -2.576 6.606 253 HA3 GLY 32 HA3 GLY 32 -14.136 -2.295 7.556 254 H SER 33 H SER 33 -15.915 -1.292 5.882 255 HA SER 33 HA SER 33 -16.687 -3.530 4.305 256 HB2 SER 33 HB2 SER 33 -17.879 -0.747 4.257 257 HB3 SER 33 HB3 SER 33 -18.670 -2.259 3.804 258 HG SER 33 HG SER 33 -18.953 -2.764 5.861 259 H LEU 34 H LEU 34 -15.127 -0.484 3.657 260 HA LEU 34 HA LEU 34 -15.484 -0.367 0.876 261 HB2 LEU 34 HB2 LEU 34 -14.600 1.413 2.512 262 HB3 LEU 34 HB3 LEU 34 -13.044 0.633 2.330 263 HG LEU 34 HG LEU 34 -13.405 2.686 0.921 264 HD11 LEU 34 HD11 LEU 34 -12.388 1.735 -1.098 265 HD12 LEU 34 HD12 LEU 34 -12.800 0.115 -0.537 266 HD13 LEU 34 HD13 LEU 34 -11.653 1.098 0.372 267 HD21 LEU 34 HD21 LEU 34 -14.741 2.481 -1.100 268 HD22 LEU 34 HD22 LEU 34 -15.745 2.268 0.334 269 HD23 LEU 34 HD23 LEU 34 -15.255 0.864 -0.615 270 H PHE 35 H PHE 35 -12.742 -1.642 2.790 271 HA PHE 35 HA PHE 35 -11.313 -2.542 0.511 272 HB2 PHE 35 HB2 PHE 35 -11.053 -3.324 3.419 273 HB3 PHE 35 HB3 PHE 35 -9.930 -3.813 2.155 274 HD1 PHE 35 HD2 PHE 35 -9.859 -1.234 0.608 275 HD2 PHE 35 HD1 PHE 35 -9.650 -2.035 4.783 276 HE1 PHE 35 HE2 PHE 35 -8.585 0.845 0.940 277 HE2 PHE 35 HE1 PHE 35 -8.380 0.044 5.122 278 HZ PHE 35 HZ PHE 35 -7.844 1.486 3.199 279 H GLU 36 H GLU 36 -13.534 -4.148 2.745 280 HA GLU 36 HA GLU 36 -13.161 -6.792 1.982 281 HB2 GLU 36 HB2 GLU 36 -14.522 -6.133 3.902 282 HB3 GLU 36 HB3 GLU 36 -15.716 -5.417 2.832 283 HG2 GLU 36 HG2 GLU 36 -16.452 -7.567 3.681 284 HG3 GLU 36 HG3 GLU 36 -16.260 -7.600 1.931 285 H ALA 37 H ALA 37 -15.385 -4.391 0.582 286 HA ALA 37 HA ALA 37 -16.254 -6.212 -1.476 287 HB1 ALA 37 HB1 ALA 37 -16.696 -3.240 -1.204 288 HB2 ALA 37 HB2 ALA 37 -17.770 -4.503 -0.601 289 HB3 ALA 37 HB3 ALA 37 -17.521 -4.310 -2.337 290 H GLY 38 H GLY 38 -13.789 -3.834 -1.059 291 HA2 GLY 38 HA2 GLY 38 -13.305 -3.078 -3.705 292 HA3 GLY 38 HA3 GLY 38 -12.125 -3.035 -2.406 293 H TYR 39 H TYR 39 -11.589 -5.598 -1.807 294 HA TYR 39 HA TYR 39 -10.098 -6.376 -4.126 295 HB2 TYR 39 HB2 TYR 39 -9.115 -8.119 -2.782 296 HB3 TYR 39 HB3 TYR 39 -9.158 -6.628 -1.857 297 HD1 TYR 39 HD2 TYR 39 -10.750 -9.955 -2.243 298 HD2 TYR 39 HD1 TYR 39 -10.265 -6.530 0.233 299 HE1 TYR 39 HE2 TYR 39 -11.787 -11.167 -0.375 300 HE2 TYR 39 HE1 TYR 39 -11.297 -7.736 2.111 301 HH TYR 39 HH TYR 39 -12.836 -9.640 2.469 302 H HIS 40 H HIS 40 -13.189 -7.077 -3.004 303 HA HIS 40 HA HIS 40 -13.511 -9.688 -4.076 304 HB2 HIS 40 HB2 HIS 40 -15.058 -8.871 -2.404 305 HB3 HIS 40 HB3 HIS 40 -15.514 -7.513 -3.424 306 HD1 HIS 40 HD1 HIS 40 -16.355 -11.018 -2.673 307 HD2 HIS 40 HD2 HIS 40 -17.136 -8.256 -5.690 308 HE1 HIS 40 HE1 HIS 40 -18.286 -11.966 -3.987 309 HE2 HIS 40 HE2 HIS 40 -18.644 -10.347 -5.897 310 H ASP 41 H ASP 41 -14.088 -6.420 -5.364 311 HA ASP 41 HA ASP 41 -15.077 -7.647 -7.846 312 HB2 ASP 41 HB2 ASP 41 -16.364 -5.858 -6.453 313 HB3 ASP 41 HB3 ASP 41 -15.275 -4.716 -7.231 314 H ILE 42 H ILE 42 -12.215 -6.510 -6.690 315 HA ILE 42 HA ILE 42 -11.355 -4.812 -8.789 316 HB ILE 42 HB ILE 42 -10.238 -4.928 -6.568 317 HG12 ILE 42 HG12 ILE 42 -8.393 -5.484 -8.901 318 HG13 ILE 42 HG13 ILE 42 -9.126 -3.924 -8.546 319 HG21 ILE 42 HG21 ILE 42 -10.220 -7.301 -6.197 320 HG22 ILE 42 HG22 ILE 42 -8.559 -6.704 -6.192 321 HG23 ILE 42 HG23 ILE 42 -9.187 -7.551 -7.605 322 HD11 ILE 42 HD11 ILE 42 -7.924 -3.853 -6.420 323 HD12 ILE 42 HD12 ILE 42 -6.829 -3.992 -7.795 324 HD13 ILE 42 HD13 ILE 42 -7.176 -5.405 -6.797 325 H LEU 43 H LEU 43 -11.706 -8.224 -8.559 326 HA LEU 43 HA LEU 43 -9.817 -8.952 -10.559 327 HB2 LEU 43 HB2 LEU 43 -12.177 -10.370 -9.358 328 HB3 LEU 43 HB3 LEU 43 -11.264 -11.070 -10.677 329 HG LEU 43 HG LEU 43 -10.446 -12.058 -8.691 330 HD11 LEU 43 HD11 LEU 43 -8.110 -11.362 -8.635 331 HD12 LEU 43 HD12 LEU 43 -8.525 -9.886 -9.507 332 HD13 LEU 43 HD13 LEU 43 -8.717 -11.455 -10.290 333 HD21 LEU 43 HD21 LEU 43 -11.332 -10.407 -7.100 334 HD22 LEU 43 HD22 LEU 43 -10.041 -9.294 -7.553 335 HD23 LEU 43 HD23 LEU 43 -9.652 -10.824 -6.767 336 H GLN 44 H GLN 44 -12.838 -7.430 -10.715 337 HA GLN 44 HA GLN 44 -13.995 -8.471 -13.028 338 HB2 GLN 44 HB2 GLN 44 -15.140 -6.900 -11.539 339 HB3 GLN 44 HB3 GLN 44 -14.024 -5.625 -12.003 340 HG2 GLN 44 HG2 GLN 44 -16.106 -5.315 -13.144 341 HG3 GLN 44 HG3 GLN 44 -14.868 -5.770 -14.312 342 HE21 GLN 44 HE21 GLN 44 -17.743 -6.760 -12.640 343 HE22 GLN 44 HE22 GLN 44 -18.084 -8.142 -13.632 344 H LEU 45 H LEU 45 -11.589 -5.889 -12.669 345 HA LEU 45 HA LEU 45 -11.546 -5.305 -15.468 346 HB2 LEU 45 HB2 LEU 45 -10.994 -3.626 -13.747 347 HB3 LEU 45 HB3 LEU 45 -9.563 -4.547 -13.325 348 HG LEU 45 HG LEU 45 -8.709 -4.187 -15.639 349 HD11 LEU 45 HD11 LEU 45 -9.755 -2.430 -16.995 350 HD12 LEU 45 HD12 LEU 45 -11.082 -2.333 -15.839 351 HD13 LEU 45 HD13 LEU 45 -10.830 -3.810 -16.770 352 HD21 LEU 45 HD21 LEU 45 -8.092 -1.852 -15.282 353 HD22 LEU 45 HD22 LEU 45 -7.985 -2.783 -13.788 354 HD23 LEU 45 HD23 LEU 45 -9.352 -1.703 -14.059 355 H LEU 46 H LEU 46 -9.584 -7.270 -13.290 356 HA LEU 46 HA LEU 46 -7.497 -7.787 -15.127 357 HB2 LEU 46 HB2 LEU 46 -8.437 -9.373 -12.742 358 HB3 LEU 46 HB3 LEU 46 -6.978 -9.729 -13.646 359 HG LEU 46 HG LEU 46 -7.536 -7.259 -12.008 360 HD11 LEU 46 HD11 LEU 46 -5.663 -8.029 -10.675 361 HD12 LEU 46 HD12 LEU 46 -5.463 -9.427 -11.732 362 HD13 LEU 46 HD13 LEU 46 -6.918 -9.268 -10.748 363 HD21 LEU 46 HD21 LEU 46 -5.157 -7.903 -13.749 364 HD22 LEU 46 HD22 LEU 46 -5.267 -6.551 -12.622 365 HD23 LEU 46 HD23 LEU 46 -6.335 -6.620 -14.023 366 H ALA 47 H ALA 47 -10.602 -9.294 -14.522 367 HA ALA 47 HA ALA 47 -10.267 -11.574 -16.139 368 HB1 ALA 47 HB1 ALA 47 -12.801 -10.037 -15.572 369 HB2 ALA 47 HB2 ALA 47 -12.114 -11.296 -14.547 370 HB3 ALA 47 HB3 ALA 47 -12.696 -11.696 -16.163 371 H GLY 48 H GLY 48 -10.825 -8.237 -16.892 372 HA2 GLY 48 HA2 GLY 48 -11.733 -8.593 -19.565 373 HA3 GLY 48 HA3 GLY 48 -11.044 -7.124 -18.891 374 H GLN 49 H GLN 49 -8.547 -8.138 -18.110 375 HA GLN 49 HA GLN 49 -7.195 -8.241 -20.652 376 HB2 GLN 49 HB2 GLN 49 -6.241 -8.231 -17.792 377 HB3 GLN 49 HB3 GLN 49 -5.134 -8.520 -19.123 378 HG2 GLN 49 HG2 GLN 49 -4.994 -6.224 -18.521 379 HG3 GLN 49 HG3 GLN 49 -5.793 -6.330 -20.086 380 HE21 GLN 49 HE21 GLN 49 -6.175 -5.610 -16.711 381 HE22 GLN 49 HE22 GLN 49 -7.709 -4.827 -16.844 382 H GLY 50 H GLY 50 -8.082 -10.452 -18.111 383 HA2 GLY 50 HA2 GLY 50 -8.429 -12.750 -18.453 384 HA3 GLY 50 HA3 GLY 50 -7.405 -12.672 -19.879 385 H LYS 51 H LYS 51 -6.388 -11.291 -16.833 386 HA LYS 51 HA LYS 51 -4.535 -13.547 -16.516 387 HB2 LYS 51 HB2 LYS 51 -3.822 -10.620 -16.357 388 HB3 LYS 51 HB3 LYS 51 -2.761 -11.925 -15.844 389 HG2 LYS 51 HG2 LYS 51 -3.099 -12.823 -18.243 390 HG3 LYS 51 HG3 LYS 51 -3.645 -11.185 -18.601 391 HD2 LYS 51 HD2 LYS 51 -0.983 -11.921 -17.391 392 HD3 LYS 51 HD3 LYS 51 -1.260 -11.500 -19.081 393 HE2 LYS 51 HE2 LYS 51 -2.109 -9.292 -18.314 394 HE3 LYS 51 HE3 LYS 51 -1.629 -9.730 -16.676 395 HZ1 LYS 51 HZ1 LYS 51 0.256 -9.704 -18.964 396 HZ2 LYS 51 HZ2 LYS 51 0.637 -9.834 -17.317 397 HZ3 LYS 51 HZ3 LYS 51 0.030 -8.376 -17.937 398 H SER 52 H SER 52 -3.286 -13.203 -14.329 399 HA SER 52 HA SER 52 -5.371 -12.852 -12.287 400 HB2 SER 52 HB2 SER 52 -3.885 -14.411 -10.940 401 HB3 SER 52 HB3 SER 52 -4.628 -15.129 -12.368 402 HG SER 52 HG SER 52 -2.325 -15.559 -12.064 403 HA PRO 53 HA PRO 53 -3.185 -9.665 -10.107 404 HB2 PRO 53 HB2 PRO 53 -2.866 -10.813 -7.593 405 HB3 PRO 53 HB3 PRO 53 -4.292 -9.929 -8.143 406 HG2 PRO 53 HG2 PRO 53 -3.811 -12.874 -8.025 407 HG3 PRO 53 HG3 PRO 53 -5.289 -11.958 -7.682 408 HD2 PRO 53 HD2 PRO 53 -4.990 -13.299 -9.972 409 HD3 PRO 53 HD3 PRO 53 -5.819 -11.728 -9.926 410 H SER 54 H SER 54 -1.117 -9.055 -9.931 411 HA SER 54 HA SER 54 0.934 -11.101 -10.204 412 HB2 SER 54 HB2 SER 54 1.156 -8.085 -10.396 413 HB3 SER 54 HB3 SER 54 2.404 -9.251 -10.841 414 HG SER 54 HG SER 54 0.525 -10.100 -12.251 415 H GLY 55 H GLY 55 -0.543 -9.915 -7.636 416 HA2 GLY 55 HA2 GLY 55 1.444 -10.610 -5.796 417 HA3 GLY 55 HA3 GLY 55 1.475 -8.862 -5.981 418 HA PRO 56 HA PRO 56 -1.920 -9.912 -2.947 419 HB2 PRO 56 HB2 PRO 56 -0.743 -9.193 -0.650 420 HB3 PRO 56 HB3 PRO 56 -0.492 -10.798 -1.344 421 HG2 PRO 56 HG2 PRO 56 1.294 -8.405 -1.411 422 HG3 PRO 56 HG3 PRO 56 1.714 -10.112 -1.180 423 HD2 PRO 56 HD2 PRO 56 1.936 -8.746 -3.569 424 HD3 PRO 56 HD3 PRO 56 1.796 -10.508 -3.425 425 HA PRO 57 HA PRO 57 -3.278 -5.724 -2.786 426 HB2 PRO 57 HB2 PRO 57 -4.305 -6.020 -0.049 427 HB3 PRO 57 HB3 PRO 57 -5.188 -5.761 -1.555 428 HG2 PRO 57 HG2 PRO 57 -5.264 -8.115 -0.266 429 HG3 PRO 57 HG3 PRO 57 -5.295 -8.017 -2.037 430 HD2 PRO 57 HD2 PRO 57 -3.003 -8.655 -0.214 431 HD3 PRO 57 HD3 PRO 57 -3.473 -9.428 -1.744 432 H PHE 58 H PHE 58 -2.279 -3.862 -2.460 433 HA PHE 58 HA PHE 58 -0.949 -3.375 0.126 434 HB2 PHE 58 HB2 PHE 58 -0.046 -2.228 -2.523 435 HB3 PHE 58 HB3 PHE 58 0.787 -2.135 -0.977 436 HD1 PHE 58 HD1 PHE 58 1.474 -4.453 0.051 437 HD2 PHE 58 HD2 PHE 58 0.615 -3.780 -4.055 438 HE1 PHE 58 HE1 PHE 58 2.786 -6.445 -0.548 439 HE2 PHE 58 HE2 PHE 58 1.917 -5.773 -4.666 440 HZ PHE 58 HZ PHE 58 3.010 -7.109 -2.907 441 H ALA 59 H ALA 59 -1.949 -1.752 1.168 442 HA ALA 59 HA ALA 59 -3.685 -0.004 -0.419 443 HB1 ALA 59 HB1 ALA 59 -3.685 -0.477 2.555 444 HB2 ALA 59 HB2 ALA 59 -4.737 -1.279 1.389 445 HB3 ALA 59 HB3 ALA 59 -4.867 0.461 1.643 446 H ARG 60 H ARG 60 -2.793 1.851 -1.000 447 HA ARG 60 HA ARG 60 -1.092 3.249 0.953 448 HB2 ARG 60 HB2 ARG 60 -0.349 4.654 -0.917 449 HB3 ARG 60 HB3 ARG 60 -0.054 2.951 -1.235 450 HG2 ARG 60 HG2 ARG 60 -2.173 2.939 -2.571 451 HG3 ARG 60 HG3 ARG 60 -2.205 4.694 -2.394 452 HD2 ARG 60 HD2 ARG 60 0.017 3.086 -3.644 453 HD3 ARG 60 HD3 ARG 60 -1.205 4.006 -4.517 454 HE ARG 60 HE ARG 60 0.630 5.368 -2.649 455 HH11 ARG 60 HH11 ARG 60 -0.845 5.031 -5.804 456 HH12 ARG 60 HH12 ARG 60 0.102 6.300 -6.524 457 HH21 ARG 60 HH21 ARG 60 1.802 7.106 -3.531 458 HH22 ARG 60 HH22 ARG 60 1.597 7.515 -5.212 459 H TYR 61 H TYR 61 -1.600 5.290 1.655 460 HA TYR 61 HA TYR 61 -4.373 6.152 1.093 461 HB2 TYR 61 HB2 TYR 61 -3.004 6.453 3.764 462 HB3 TYR 61 HB3 TYR 61 -4.715 6.610 3.395 463 HD1 TYR 61 HD2 TYR 61 -6.050 4.553 2.886 464 HD2 TYR 61 HD1 TYR 61 -2.055 4.360 4.333 465 HE1 TYR 61 HE2 TYR 61 -6.406 2.212 3.546 466 HE2 TYR 61 HE1 TYR 61 -2.402 2.023 4.997 467 HH TYR 61 HH TYR 61 -4.218 0.522 5.560 468 H PHE 62 H PHE 62 -4.308 8.056 0.098 469 HA PHE 62 HA PHE 62 -2.274 10.024 0.769 470 HB2 PHE 62 HB2 PHE 62 -4.583 10.021 -1.175 471 HB3 PHE 62 HB3 PHE 62 -3.632 11.464 -0.850 472 HD1 PHE 62 HD1 PHE 62 -1.321 11.616 -1.566 473 HD2 PHE 62 HD2 PHE 62 -3.697 8.207 -2.478 474 HE1 PHE 62 HE1 PHE 62 0.311 10.945 -3.280 475 HE2 PHE 62 HE2 PHE 62 -2.066 7.523 -4.190 476 HZ PHE 62 HZ PHE 62 -0.061 8.895 -4.595 477 H GLY 63 H GLY 63 -2.578 10.989 2.702 478 HA2 GLY 63 HA2 GLY 63 -4.534 12.871 3.146 479 HA3 GLY 63 HA3 GLY 63 -5.182 11.383 3.824 480 H MET 64 H MET 64 -4.458 10.656 5.730 481 HA MET 64 HA MET 64 -3.480 10.603 7.749 482 HB2 MET 64 HB2 MET 64 -1.221 11.956 6.285 483 HB3 MET 64 HB3 MET 64 -1.130 11.490 7.974 484 HG2 MET 64 HG2 MET 64 -1.574 9.623 5.655 485 HG3 MET 64 HG3 MET 64 -0.061 9.849 6.529 486 HE1 MET 64 HE1 MET 64 -0.970 8.456 10.085 487 HE2 MET 64 HE2 MET 64 -1.009 10.125 9.519 488 HE3 MET 64 HE3 MET 64 0.330 9.071 9.066 489 H SER 65 H SER 65 -2.587 13.821 6.438 490 HA SER 65 HA SER 65 -3.297 14.905 9.062 491 HB2 SER 65 HB2 SER 65 -1.613 16.092 6.856 492 HB3 SER 65 HB3 SER 65 -1.944 16.866 8.405 493 HG SER 65 HG SER 65 -0.950 15.045 9.420 494 H ALA 66 H ALA 66 -3.489 16.278 5.720 495 HA ALA 66 HA ALA 66 -5.988 17.559 6.624 496 HB1 ALA 66 HB1 ALA 66 -5.292 19.667 5.709 497 HB2 ALA 66 HB2 ALA 66 -3.792 18.956 5.114 498 HB3 ALA 66 HB3 ALA 66 -4.073 19.097 6.849 499 H GLY 67 H GLY 67 -7.609 17.708 5.200 500 HA2 GLY 67 HA2 GLY 67 -8.259 18.402 2.956 501 HA3 GLY 67 HA3 GLY 67 -6.988 17.354 2.344 502 H THR 68 H THR 68 -7.345 15.225 2.121 503 HA THR 68 HA THR 68 -9.989 14.149 2.756 504 HB THR 68 HB THR 68 -8.812 14.028 -0.034 505 HG1 THR 68 HG1 THR 68 -10.967 15.399 -0.216 506 HG21 THR 68 HG21 THR 68 -10.283 12.153 0.540 507 HG22 THR 68 HG22 THR 68 -11.022 13.196 -0.675 508 HG23 THR 68 HG23 THR 68 -11.551 13.288 1.005 509 H PHE 69 H PHE 69 -10.018 11.824 2.742 510 HA PHE 69 HA PHE 69 -7.333 10.644 2.863 511 HB2 PHE 69 HB2 PHE 69 -8.889 10.543 4.866 512 HB3 PHE 69 HB3 PHE 69 -9.877 9.431 3.930 513 HD1 PHE 69 HD2 PHE 69 -6.411 9.920 5.164 514 HD2 PHE 69 HD1 PHE 69 -9.440 7.161 4.017 515 HE1 PHE 69 HE2 PHE 69 -5.003 8.059 5.943 516 HE2 PHE 69 HE1 PHE 69 -8.039 5.293 4.793 517 HZ PHE 69 HZ PHE 69 -5.815 5.744 5.760 518 H GLU 70 H GLU 70 -6.753 9.591 1.159 519 HA GLU 70 HA GLU 70 -8.785 8.396 -0.615 520 HB2 GLU 70 HB2 GLU 70 -5.986 9.309 -1.313 521 HB3 GLU 70 HB3 GLU 70 -7.217 8.748 -2.439 522 HG2 GLU 70 HG2 GLU 70 -8.594 10.655 -1.952 523 HG3 GLU 70 HG3 GLU 70 -7.459 11.197 -0.719 524 H VAL 71 H VAL 71 -8.537 6.284 -1.298 525 HA VAL 71 HA VAL 71 -6.245 4.848 -0.153 526 HB VAL 71 HB VAL 71 -7.681 2.906 0.309 527 HG11 VAL 71 HG11 VAL 71 -8.815 3.801 2.265 528 HG12 VAL 71 HG12 VAL 71 -8.672 5.435 1.617 529 HG13 VAL 71 HG13 VAL 71 -7.225 4.538 2.074 530 HG21 VAL 71 HG21 VAL 71 -10.122 3.131 0.278 531 HG22 VAL 71 HG22 VAL 71 -9.436 3.301 -1.338 532 HG23 VAL 71 HG23 VAL 71 -9.965 4.729 -0.449 533 H GLU 72 H GLU 72 -5.132 3.639 -1.483 534 HA GLU 72 HA GLU 72 -6.467 2.462 -3.834 535 HB2 GLU 72 HB2 GLU 72 -3.529 3.196 -3.652 536 HB3 GLU 72 HB3 GLU 72 -4.351 2.502 -5.041 537 HG2 GLU 72 HG2 GLU 72 -5.759 4.578 -5.115 538 HG3 GLU 72 HG3 GLU 72 -4.678 5.264 -3.903 539 H PHE 73 H PHE 73 -6.990 0.612 -2.727 540 HA PHE 73 HA PHE 73 -5.128 -0.776 -1.036 541 HB2 PHE 73 HB2 PHE 73 -7.015 -2.459 -0.884 542 HB3 PHE 73 HB3 PHE 73 -7.391 -0.824 -0.352 543 HD1 PHE 73 HD1 PHE 73 -7.807 -3.229 -3.128 544 HD2 PHE 73 HD2 PHE 73 -9.093 0.437 -1.386 545 HE1 PHE 73 HE1 PHE 73 -9.712 -3.164 -4.679 546 HE2 PHE 73 HE2 PHE 73 -11.004 0.506 -2.934 547 HZ PHE 73 HZ PHE 73 -11.314 -1.296 -4.583 548 H GLY 74 H GLY 74 -5.183 -0.699 -4.297 549 HA2 GLY 74 HA2 GLY 74 -5.471 -3.476 -4.942 550 HA3 GLY 74 HA3 GLY 74 -4.999 -2.198 -6.044 551 H PHE 75 H PHE 75 -3.523 -3.663 -6.965 552 HA PHE 75 HA PHE 75 -1.000 -3.895 -5.518 553 HB2 PHE 75 HB2 PHE 75 -0.873 -6.312 -6.445 554 HB3 PHE 75 HB3 PHE 75 -1.829 -6.019 -4.998 555 HD1 PHE 75 HD1 PHE 75 -2.078 -6.482 -8.669 556 HD2 PHE 75 HD2 PHE 75 -4.096 -6.550 -4.925 557 HE1 PHE 75 HE1 PHE 75 -4.045 -7.487 -9.751 558 HE2 PHE 75 HE2 PHE 75 -6.067 -7.556 -5.999 559 HZ PHE 75 HZ PHE 75 -6.042 -8.024 -8.417 560 HA PRO 76 HA PRO 76 0.662 -2.705 -9.414 561 HB2 PRO 76 HB2 PRO 76 3.141 -3.828 -9.256 562 HB3 PRO 76 HB3 PRO 76 2.678 -2.362 -8.386 563 HG2 PRO 76 HG2 PRO 76 2.813 -5.186 -7.405 564 HG3 PRO 76 HG3 PRO 76 3.345 -3.695 -6.604 565 HD2 PRO 76 HD2 PRO 76 1.015 -4.893 -5.981 566 HD3 PRO 76 HD3 PRO 76 1.201 -3.127 -5.955 567 H VAL 77 H VAL 77 1.008 -3.450 -11.465 568 HA VAL 77 HA VAL 77 0.843 -6.367 -11.846 569 HB VAL 77 HB VAL 77 -0.213 -5.902 -14.041 570 HG11 VAL 77 HG11 VAL 77 -1.673 -4.744 -11.671 571 HG12 VAL 77 HG12 VAL 77 -1.595 -6.450 -12.113 572 HG13 VAL 77 HG13 VAL 77 -2.419 -5.301 -13.169 573 HG21 VAL 77 HG21 VAL 77 -1.157 -3.658 -14.453 574 HG22 VAL 77 HG22 VAL 77 0.606 -3.666 -14.451 575 HG23 VAL 77 HG23 VAL 77 -0.274 -3.053 -13.050 576 H GLU 78 H GLU 78 1.715 -6.987 -14.097 577 HA GLU 78 HA GLU 78 4.425 -5.961 -14.195 578 HB2 GLU 78 HB2 GLU 78 4.116 -8.356 -14.230 579 HB3 GLU 78 HB3 GLU 78 3.058 -8.237 -15.628 580 HG2 GLU 78 HG2 GLU 78 4.941 -7.422 -16.970 581 HG3 GLU 78 HG3 GLU 78 5.995 -7.588 -15.564 582 H GLY 79 H GLY 79 1.987 -6.707 -16.685 583 HA2 GLY 79 HA2 GLY 79 2.240 -4.227 -18.018 584 HA3 GLY 79 HA3 GLY 79 3.274 -5.425 -18.784 585 H GLY 80 H GLY 80 1.293 -4.301 -20.239 586 HA2 GLY 80 HA2 GLY 80 -0.405 -4.918 -21.666 587 HA3 GLY 80 HA3 GLY 80 -0.282 -6.548 -21.019 588 H VAL 81 H VAL 81 -0.800 -3.848 -18.901 589 HA VAL 81 HA VAL 81 -3.624 -4.647 -18.592 590 HB VAL 81 HB VAL 81 -1.892 -3.795 -16.278 591 HG11 VAL 81 HG11 VAL 81 -3.636 -4.903 -14.942 592 HG12 VAL 81 HG12 VAL 81 -4.534 -5.224 -16.427 593 HG13 VAL 81 HG13 VAL 81 -4.255 -3.562 -15.905 594 HG21 VAL 81 HG21 VAL 81 -0.898 -5.826 -17.166 595 HG22 VAL 81 HG22 VAL 81 -2.471 -6.620 -17.153 596 HG23 VAL 81 HG23 VAL 81 -1.704 -6.158 -15.633 597 H GLU 82 H GLU 82 -5.026 -2.963 -17.869 598 HA GLU 82 HA GLU 82 -4.004 -0.252 -17.769 599 HB2 GLU 82 HB2 GLU 82 -4.418 -0.870 -20.214 600 HB3 GLU 82 HB3 GLU 82 -6.125 -0.957 -19.803 601 HG2 GLU 82 HG2 GLU 82 -6.016 1.399 -19.053 602 HG3 GLU 82 HG3 GLU 82 -4.343 1.458 -19.604 603 H GLY 83 H GLY 83 -5.789 1.295 -17.193 604 HA2 GLY 83 HA2 GLY 83 -7.806 -0.116 -15.556 605 HA3 GLY 83 HA3 GLY 83 -7.079 1.424 -15.121 606 H SER 84 H SER 84 -9.878 0.806 -15.335 607 HA SER 84 HA SER 84 -10.662 2.807 -17.310 608 HB2 SER 84 HB2 SER 84 -10.943 0.026 -17.776 609 HB3 SER 84 HB3 SER 84 -12.556 0.649 -17.431 610 HG SER 84 HG SER 84 -10.749 1.409 -19.480 611 H GLY 85 H GLY 85 -11.889 4.226 -16.256 612 HA2 GLY 85 HA2 GLY 85 -13.663 5.057 -15.044 613 HA3 GLY 85 HA3 GLY 85 -14.263 3.414 -14.902 614 H ARG 86 H ARG 86 -14.286 2.556 -12.949 615 HA ARG 86 HA ARG 86 -13.191 4.001 -10.717 616 HB2 ARG 86 HB2 ARG 86 -14.704 1.406 -10.950 617 HB3 ARG 86 HB3 ARG 86 -14.069 1.986 -9.418 618 HG2 ARG 86 HG2 ARG 86 -15.442 3.983 -9.582 619 HG3 ARG 86 HG3 ARG 86 -16.057 3.447 -11.149 620 HD2 ARG 86 HD2 ARG 86 -17.104 1.538 -10.154 621 HD3 ARG 86 HD3 ARG 86 -16.340 1.863 -8.602 622 HE ARG 86 HE ARG 86 -18.023 4.010 -9.513 623 HH11 ARG 86 HH11 ARG 86 -17.983 0.899 -7.899 624 HH12 ARG 86 HH12 ARG 86 -19.405 1.225 -6.945 625 HH21 ARG 86 HH21 ARG 86 -19.932 4.435 -8.301 626 HH22 ARG 86 HH22 ARG 86 -20.516 3.235 -7.176 627 H VAL 87 H VAL 87 -12.637 0.833 -12.196 628 HA VAL 87 HA VAL 87 -10.369 0.322 -10.466 629 HB VAL 87 HB VAL 87 -11.114 -1.372 -12.836 630 HG11 VAL 87 HG11 VAL 87 -10.276 -3.178 -11.409 631 HG12 VAL 87 HG12 VAL 87 -9.944 -2.007 -10.132 632 HG13 VAL 87 HG13 VAL 87 -9.065 -1.921 -11.659 633 HG21 VAL 87 HG21 VAL 87 -12.679 -2.625 -11.447 634 HG22 VAL 87 HG22 VAL 87 -13.204 -0.953 -11.637 635 HG23 VAL 87 HG23 VAL 87 -12.448 -1.474 -10.132 636 H VAL 88 H VAL 88 -8.674 1.587 -10.962 637 HA VAL 88 HA VAL 88 -7.776 1.633 -13.764 638 HB VAL 88 HB VAL 88 -6.925 3.951 -13.360 639 HG11 VAL 88 HG11 VAL 88 -8.970 3.557 -14.622 640 HG12 VAL 88 HG12 VAL 88 -9.082 5.045 -13.683 641 HG13 VAL 88 HG13 VAL 88 -9.909 3.589 -13.129 642 HG21 VAL 88 HG21 VAL 88 -7.883 5.255 -11.528 643 HG22 VAL 88 HG22 VAL 88 -6.917 3.911 -10.921 644 HG23 VAL 88 HG23 VAL 88 -8.677 3.807 -10.909 645 H THR 89 H THR 89 -5.438 2.950 -13.515 646 HA THR 89 HA THR 89 -3.946 1.297 -11.606 647 HB THR 89 HB THR 89 -3.272 0.539 -13.705 648 HG1 THR 89 HG1 THR 89 -1.486 1.058 -12.385 649 HG21 THR 89 HG21 THR 89 -2.613 1.981 -15.578 650 HG22 THR 89 HG22 THR 89 -3.014 3.403 -14.616 651 HG23 THR 89 HG23 THR 89 -4.284 2.275 -15.090 652 H GLY 90 H GLY 90 -2.052 2.184 -10.717 653 HA2 GLY 90 HA2 GLY 90 -1.769 5.096 -10.808 654 HA3 GLY 90 HA3 GLY 90 -2.141 4.366 -9.249 655 H LEU 91 H LEU 91 0.251 5.846 -10.037 656 HA LEU 91 HA LEU 91 2.270 3.721 -9.985 657 HB2 LEU 91 HB2 LEU 91 2.315 6.580 -10.821 658 HB3 LEU 91 HB3 LEU 91 3.804 5.853 -10.249 659 HG LEU 91 HG LEU 91 3.582 4.104 -12.006 660 HD11 LEU 91 HD11 LEU 91 1.283 5.804 -12.954 661 HD12 LEU 91 HD12 LEU 91 1.185 4.154 -12.339 662 HD13 LEU 91 HD13 LEU 91 2.022 4.481 -13.856 663 HD21 LEU 91 HD21 LEU 91 4.981 6.064 -12.364 664 HD22 LEU 91 HD22 LEU 91 3.595 6.951 -13.001 665 HD23 LEU 91 HD23 LEU 91 4.222 5.551 -13.870 666 H THR 92 H THR 92 3.671 3.456 -8.366 667 HA THR 92 HA THR 92 2.974 4.565 -5.815 668 HB THR 92 HB THR 92 5.016 3.099 -5.137 669 HG1 THR 92 HG1 THR 92 6.005 2.175 -6.763 670 HG21 THR 92 HG21 THR 92 2.530 1.874 -6.343 671 HG22 THR 92 HG22 THR 92 2.699 2.479 -4.695 672 HG23 THR 92 HG23 THR 92 3.623 1.071 -5.217 673 HA PRO 93 HA PRO 93 5.954 7.808 -5.315 674 HB2 PRO 93 HB2 PRO 93 6.952 6.426 -2.879 675 HB3 PRO 93 HB3 PRO 93 6.341 8.073 -3.070 676 HG2 PRO 93 HG2 PRO 93 4.857 6.203 -1.892 677 HG3 PRO 93 HG3 PRO 93 4.122 7.402 -2.972 678 HD2 PRO 93 HD2 PRO 93 4.777 4.532 -3.489 679 HD3 PRO 93 HD3 PRO 93 3.374 5.483 -4.016 680 H SER 94 H SER 94 8.032 8.261 -5.903 681 HA SER 94 HA SER 94 9.767 5.936 -6.372 682 HB2 SER 94 HB2 SER 94 9.981 8.678 -7.627 683 HB3 SER 94 HB3 SER 94 10.779 7.191 -8.147 684 HG SER 94 HG SER 94 8.145 6.766 -8.045 685 H GLY 95 H GLY 95 11.664 5.754 -5.331 686 HA2 GLY 95 HA2 GLY 95 13.708 7.143 -4.745 687 HA3 GLY 95 HA3 GLY 95 12.585 8.085 -3.775 688 H LYS 96 H LYS 96 12.637 7.618 -1.699 689 HA LYS 96 HA LYS 96 13.178 4.844 -0.889 690 HB2 LYS 96 HB2 LYS 96 14.154 7.327 0.541 691 HB3 LYS 96 HB3 LYS 96 14.453 5.662 1.019 692 HG2 LYS 96 HG2 LYS 96 15.734 5.322 -1.053 693 HG3 LYS 96 HG3 LYS 96 15.477 7.019 -1.466 694 HD2 LYS 96 HD2 LYS 96 16.601 7.651 0.653 695 HD3 LYS 96 HD3 LYS 96 16.944 5.944 0.941 696 HE2 LYS 96 HE2 LYS 96 18.207 5.863 -1.167 697 HE3 LYS 96 HE3 LYS 96 17.901 7.584 -1.400 698 HZ1 LYS 96 HZ1 LYS 96 19.094 8.032 0.660 699 HZ2 LYS 96 HZ2 LYS 96 20.079 7.209 -0.447 700 HZ3 LYS 96 HZ3 LYS 96 19.398 6.375 0.861 701 H ALA 97 H ALA 97 12.262 4.250 1.172 702 HA ALA 97 HA ALA 97 10.163 6.010 2.188 703 HB1 ALA 97 HB1 ALA 97 8.451 4.299 2.031 704 HB2 ALA 97 HB2 ALA 97 9.595 3.189 1.278 705 HB3 ALA 97 HB3 ALA 97 9.098 4.652 0.429 706 H ALA 98 H ALA 98 9.426 5.447 4.277 707 HA ALA 98 HA ALA 98 11.319 3.830 5.807 708 HB1 ALA 98 HB1 ALA 98 9.100 5.642 6.766 709 HB2 ALA 98 HB2 ALA 98 10.802 6.086 6.630 710 HB3 ALA 98 HB3 ALA 98 10.300 4.847 7.782 711 H SER 99 H SER 99 10.833 1.740 5.960 712 HA SER 99 HA SER 99 7.988 0.987 5.975 713 HB2 SER 99 HB2 SER 99 8.833 -1.200 5.012 714 HB3 SER 99 HB3 SER 99 8.986 0.203 3.956 715 HG SER 99 HG SER 99 11.182 -0.080 5.512 716 H SER 100 H SER 100 7.269 0.175 7.816 717 HA SER 100 HA SER 100 9.097 -1.444 9.458 718 HB2 SER 100 HB2 SER 100 7.122 0.588 10.530 719 HB3 SER 100 HB3 SER 100 8.211 -0.420 11.485 720 HG SER 100 HG SER 100 9.293 1.449 11.295 721 H LEU 101 H LEU 101 8.205 -3.322 10.219 722 HA LEU 101 HA LEU 101 5.341 -3.663 9.685 723 HB2 LEU 101 HB2 LEU 101 5.860 -6.129 9.616 724 HB3 LEU 101 HB3 LEU 101 6.456 -5.172 8.281 725 HG LEU 101 HG LEU 101 8.704 -5.163 9.562 726 HD11 LEU 101 HD11 LEU 101 7.889 -6.063 11.677 727 HD12 LEU 101 HD12 LEU 101 9.085 -7.139 10.954 728 HD13 LEU 101 HD13 LEU 101 7.370 -7.538 10.861 729 HD21 LEU 101 HD21 LEU 101 7.603 -7.672 8.310 730 HD22 LEU 101 HD22 LEU 101 9.313 -7.293 8.518 731 HD23 LEU 101 HD23 LEU 101 8.311 -6.302 7.455 732 H TYR 102 H TYR 102 4.001 -4.393 11.271 733 HA TYR 102 HA TYR 102 5.298 -4.991 13.831 734 HB2 TYR 102 HB2 TYR 102 3.408 -4.104 15.022 735 HB3 TYR 102 HB3 TYR 102 3.992 -2.892 13.895 736 HD1 TYR 102 HD1 TYR 102 2.657 -2.370 11.852 737 HD2 TYR 102 HD2 TYR 102 1.208 -4.983 14.883 738 HE1 TYR 102 HE1 TYR 102 0.367 -2.080 11.003 739 HE2 TYR 102 HE2 TYR 102 -1.083 -4.703 14.040 740 HH TYR 102 HH TYR 102 -1.783 -3.285 11.043 741 H ILE 103 H ILE 103 4.766 -6.777 14.905 742 HA ILE 103 HA ILE 103 2.948 -8.621 13.541 743 HB ILE 103 HB ILE 103 4.269 -10.433 14.681 744 HG12 ILE 103 HG12 ILE 103 5.385 -8.790 16.313 745 HG13 ILE 103 HG13 ILE 103 6.389 -10.055 15.624 746 HG21 ILE 103 HG21 ILE 103 6.085 -10.385 13.012 747 HG22 ILE 103 HG22 ILE 103 5.653 -8.717 12.636 748 HG23 ILE 103 HG23 ILE 103 4.500 -10.015 12.332 749 HD11 ILE 103 HD11 ILE 103 7.578 -7.949 15.689 750 HD12 ILE 103 HD12 ILE 103 6.301 -7.175 14.750 751 HD13 ILE 103 HD13 ILE 103 7.293 -8.435 14.018 752 H GLY 104 H GLY 104 1.066 -8.635 14.582 753 HA2 GLY 104 HA2 GLY 104 0.597 -9.676 17.063 754 HA3 GLY 104 HA3 GLY 104 0.898 -7.972 17.378 755 HA PRO 105 HA PRO 105 -3.619 -8.314 16.573 756 HB2 PRO 105 HB2 PRO 105 -4.274 -6.286 18.267 757 HB3 PRO 105 HB3 PRO 105 -4.079 -7.961 18.793 758 HG2 PRO 105 HG2 PRO 105 -2.148 -5.682 18.977 759 HG3 PRO 105 HG3 PRO 105 -2.535 -6.923 20.185 760 HD2 PRO 105 HD2 PRO 105 -0.320 -7.047 18.644 761 HD3 PRO 105 HD3 PRO 105 -1.189 -8.501 19.177 762 H TYR 106 H TYR 106 -4.959 -6.900 15.391 763 HA TYR 106 HA TYR 106 -3.452 -4.800 14.015 764 HB2 TYR 106 HB2 TYR 106 -4.791 -6.748 12.862 765 HB3 TYR 106 HB3 TYR 106 -6.185 -5.724 13.180 766 HD1 TYR 106 HD1 TYR 106 -5.885 -3.194 12.374 767 HD2 TYR 106 HD2 TYR 106 -3.696 -6.510 10.852 768 HE1 TYR 106 HE1 TYR 106 -5.408 -1.928 10.319 769 HE2 TYR 106 HE2 TYR 106 -3.212 -5.251 8.797 770 HH TYR 106 HH TYR 106 -3.455 -2.037 8.479 771 H GLY 107 H GLY 107 -4.083 -2.696 14.028 772 HA2 GLY 107 HA2 GLY 107 -6.001 -1.127 14.356 773 HA3 GLY 107 HA3 GLY 107 -6.335 -2.036 15.825 774 H GLU 108 H GLU 108 -3.673 -2.384 16.688 775 HA GLU 108 HA GLU 108 -3.212 0.220 17.846 776 HB2 GLU 108 HB2 GLU 108 -1.743 -2.396 18.252 777 HB3 GLU 108 HB3 GLU 108 -1.500 -0.933 19.197 778 HG2 GLU 108 HG2 GLU 108 -3.958 -1.078 19.796 779 HG3 GLU 108 HG3 GLU 108 -3.925 -2.697 19.101 780 H ILE 109 H ILE 109 -2.739 -0.139 14.996 781 HA ILE 109 HA ILE 109 0.055 -0.171 14.464 782 HB ILE 109 HB ILE 109 -1.619 -0.696 12.742 783 HG12 ILE 109 HG12 ILE 109 -0.066 1.774 11.942 784 HG13 ILE 109 HG13 ILE 109 0.655 0.177 12.118 785 HG21 ILE 109 HG21 ILE 109 -2.939 1.087 11.691 786 HG22 ILE 109 HG22 ILE 109 -2.339 2.230 12.893 787 HG23 ILE 109 HG23 ILE 109 -3.351 0.876 13.393 788 HD11 ILE 109 HD11 ILE 109 -0.778 -0.681 10.350 789 HD12 ILE 109 HD12 ILE 109 0.160 0.700 9.784 790 HD13 ILE 109 HD13 ILE 109 -1.545 0.898 10.189 791 H GLU 110 H GLU 110 -2.023 2.106 15.841 792 HA GLU 110 HA GLU 110 -0.810 4.535 15.093 793 HB2 GLU 110 HB2 GLU 110 -2.203 3.809 17.674 794 HB3 GLU 110 HB3 GLU 110 -1.864 5.443 17.121 795 HG2 GLU 110 HG2 GLU 110 -3.341 5.173 15.247 796 HG3 GLU 110 HG3 GLU 110 -3.599 3.476 15.649 797 H ALA 111 H ALA 111 -0.047 2.148 17.565 798 HA ALA 111 HA ALA 111 1.947 3.630 18.914 799 HB1 ALA 111 HB1 ALA 111 2.724 1.473 19.770 800 HB2 ALA 111 HB2 ALA 111 1.719 0.634 18.588 801 HB3 ALA 111 HB3 ALA 111 0.966 1.595 19.861 802 H VAL 112 H VAL 112 1.918 1.704 16.013 803 HA VAL 112 HA VAL 112 4.731 1.700 15.568 804 HB VAL 112 HB VAL 112 2.521 1.448 13.516 805 HG11 VAL 112 HG11 VAL 112 5.396 0.544 13.450 806 HG12 VAL 112 HG12 VAL 112 4.705 1.886 12.538 807 HG13 VAL 112 HG13 VAL 112 4.187 0.235 12.202 808 HG21 VAL 112 HG21 VAL 112 3.890 -0.689 15.138 809 HG22 VAL 112 HG22 VAL 112 2.795 -0.980 13.786 810 HG23 VAL 112 HG23 VAL 112 2.201 -0.200 15.253 811 H TYR 113 H TYR 113 2.023 3.700 14.440 812 HA TYR 113 HA TYR 113 3.497 5.441 12.812 813 HB2 TYR 113 HB2 TYR 113 0.886 5.746 14.268 814 HB3 TYR 113 HB3 TYR 113 1.582 7.084 13.356 815 HD1 TYR 113 HD1 TYR 113 2.405 6.333 10.902 816 HD2 TYR 113 HD2 TYR 113 -0.672 4.452 13.155 817 HE1 TYR 113 HE1 TYR 113 1.431 5.451 8.824 818 HE2 TYR 113 HE2 TYR 113 -1.654 3.564 11.083 819 HH TYR 113 HH TYR 113 -1.673 3.966 8.729 820 H ASP 114 H ASP 114 2.907 5.479 16.282 821 HA ASP 114 HA ASP 114 3.954 8.018 16.830 822 HB2 ASP 114 HB2 ASP 114 3.415 5.576 18.379 823 HB3 ASP 114 HB3 ASP 114 4.690 6.598 19.038 824 H ALA 115 H ALA 115 5.559 4.877 16.540 825 HA ALA 115 HA ALA 115 8.170 5.888 17.051 826 HB1 ALA 115 HB1 ALA 115 8.951 3.743 16.133 827 HB2 ALA 115 HB2 ALA 115 7.310 3.388 15.589 828 HB3 ALA 115 HB3 ALA 115 7.660 3.521 17.312 829 H LEU 116 H LEU 116 6.274 5.276 14.146 830 HA LEU 116 HA LEU 116 8.258 5.815 12.236 831 HB2 LEU 116 HB2 LEU 116 5.261 6.106 12.066 832 HB3 LEU 116 HB3 LEU 116 6.344 6.178 10.687 833 HG LEU 116 HG LEU 116 6.042 3.781 12.497 834 HD11 LEU 116 HD11 LEU 116 4.927 4.249 9.737 835 HD12 LEU 116 HD12 LEU 116 3.992 4.215 11.232 836 HD13 LEU 116 HD13 LEU 116 4.811 2.757 10.671 837 HD21 LEU 116 HD21 LEU 116 7.284 2.621 10.743 838 HD22 LEU 116 HD22 LEU 116 8.226 3.938 11.444 839 HD23 LEU 116 HD23 LEU 116 7.465 4.140 9.866 840 H MET 117 H MET 117 5.879 7.958 13.762 841 HA MET 117 HA MET 117 6.464 10.211 12.152 842 HB2 MET 117 HB2 MET 117 5.200 11.517 13.750 843 HB3 MET 117 HB3 MET 117 4.376 9.992 13.467 844 HG2 MET 117 HG2 MET 117 5.353 9.132 15.570 845 HG3 MET 117 HG3 MET 117 6.049 10.724 15.858 846 HE1 MET 117 HE1 MET 117 4.621 12.908 16.281 847 HE2 MET 117 HE2 MET 117 2.857 12.945 16.303 848 HE3 MET 117 HE3 MET 117 3.714 12.641 14.792 849 H LYS 118 H LYS 118 7.875 8.987 15.136 850 HA LYS 118 HA LYS 118 9.549 11.307 15.461 851 HB2 LYS 118 HB2 LYS 118 8.832 9.795 17.363 852 HB3 LYS 118 HB3 LYS 118 9.963 8.602 16.732 853 HG2 LYS 118 HG2 LYS 118 11.786 10.240 16.986 854 HG3 LYS 118 HG3 LYS 118 10.636 11.370 17.701 855 HD2 LYS 118 HD2 LYS 118 10.193 9.738 19.493 856 HD3 LYS 118 HD3 LYS 118 11.407 8.666 18.791 857 HE2 LYS 118 HE2 LYS 118 11.859 11.435 19.901 858 HE3 LYS 118 HE3 LYS 118 12.382 9.914 20.621 859 HZ1 LYS 118 HZ1 LYS 118 14.202 11.004 19.477 860 HZ2 LYS 118 HZ2 LYS 118 13.324 11.027 18.028 861 HZ3 LYS 118 HZ3 LYS 118 13.816 9.545 18.700 862 H TRP 119 H TRP 119 9.817 8.104 14.050 863 HA TRP 119 HA TRP 119 12.593 8.070 13.622 864 HB2 TRP 119 HB2 TRP 119 10.962 6.124 13.421 865 HB3 TRP 119 HB3 TRP 119 10.543 6.757 11.833 866 HD1 TRP 119 HD1 TRP 119 13.257 4.863 13.677 867 HE1 TRP 119 HE1 TRP 119 14.969 3.961 11.982 868 HE3 TRP 119 HE3 TRP 119 11.615 7.309 9.499 869 HZ2 TRP 119 HZ2 TRP 119 15.546 4.255 9.234 870 HZ3 TRP 119 HZ3 TRP 119 12.805 6.945 7.376 871 HH2 TRP 119 HH2 TRP 119 14.731 5.448 7.249 872 H VAL 120 H VAL 120 9.925 9.078 11.503 873 HA VAL 120 HA VAL 120 11.509 9.811 9.302 874 HB VAL 120 HB VAL 120 9.061 9.508 9.188 875 HG11 VAL 120 HG11 VAL 120 8.366 10.599 11.215 876 HG12 VAL 120 HG12 VAL 120 7.559 11.332 9.827 877 HG13 VAL 120 HG13 VAL 120 8.916 12.156 10.597 878 HG21 VAL 120 HG21 VAL 120 10.213 10.670 7.397 879 HG22 VAL 120 HG22 VAL 120 10.000 12.203 8.243 880 HG23 VAL 120 HG23 VAL 120 8.594 11.327 7.635 881 H ASP 121 H ASP 121 10.422 11.618 12.111 882 HA ASP 121 HA ASP 121 11.482 14.134 11.448 883 HB2 ASP 121 HB2 ASP 121 9.945 14.023 13.265 884 HB3 ASP 121 HB3 ASP 121 10.908 12.806 14.097 885 H ASP 122 H ASP 122 12.826 11.520 13.425 886 HA ASP 122 HA ASP 122 15.274 12.711 14.038 887 HB2 ASP 122 HB2 ASP 122 14.477 10.764 15.239 888 HB3 ASP 122 HB3 ASP 122 14.535 9.791 13.774 889 H ASN 123 H ASN 123 14.257 10.898 11.214 890 HA ASN 123 HA ASN 123 16.953 10.655 10.198 891 HB2 ASN 123 HB2 ASN 123 14.786 9.112 9.851 892 HB3 ASN 123 HB3 ASN 123 14.617 10.137 8.428 893 HD21 ASN 123 HD21 ASN 123 16.550 7.741 10.034 894 HD22 ASN 123 HD22 ASN 123 17.545 7.340 8.672 895 H GLY 124 H GLY 124 14.669 13.099 10.265 896 HA2 GLY 124 HA2 GLY 124 15.105 15.271 9.516 897 HA3 GLY 124 HA3 GLY 124 16.287 14.629 8.390 898 H PHE 125 H PHE 125 13.351 12.949 8.202 899 HA PHE 125 HA PHE 125 12.772 14.317 5.689 900 HB2 PHE 125 HB2 PHE 125 12.051 11.603 6.768 901 HB3 PHE 125 HB3 PHE 125 11.281 12.274 5.340 902 HD1 PHE 125 HD1 PHE 125 12.667 12.801 3.333 903 HD2 PHE 125 HD2 PHE 125 14.203 10.655 6.670 904 HE1 PHE 125 HE1 PHE 125 14.525 11.984 1.943 905 HE2 PHE 125 HE2 PHE 125 16.068 9.836 5.288 906 HZ PHE 125 HZ PHE 125 16.232 10.502 2.920 907 H ASP 126 H ASP 126 10.259 14.041 5.161 908 HA ASP 126 HA ASP 126 8.761 15.101 7.460 909 HB2 ASP 126 HB2 ASP 126 9.540 16.956 5.983 910 HB3 ASP 126 HB3 ASP 126 8.663 16.220 4.647 911 H LEU 127 H LEU 127 6.390 14.927 7.182 912 HA LEU 127 HA LEU 127 5.779 12.368 5.951 913 HB2 LEU 127 HB2 LEU 127 4.067 14.181 7.656 914 HB3 LEU 127 HB3 LEU 127 3.585 12.599 7.078 915 HG LEU 127 HG LEU 127 5.658 11.736 8.370 916 HD11 LEU 127 HD11 LEU 127 5.247 14.404 9.714 917 HD12 LEU 127 HD12 LEU 127 6.683 13.890 8.827 918 HD13 LEU 127 HD13 LEU 127 6.240 13.085 10.334 919 HD21 LEU 127 HD21 LEU 127 3.238 12.797 9.823 920 HD22 LEU 127 HD22 LEU 127 4.335 11.553 10.420 921 HD23 LEU 127 HD23 LEU 127 3.355 11.247 8.987 922 H SER 128 H SER 128 5.114 12.286 3.913 923 HA SER 128 HA SER 128 4.139 14.603 2.541 924 HB2 SER 128 HB2 SER 128 5.558 12.899 1.443 925 HB3 SER 128 HB3 SER 128 4.256 11.724 1.615 926 HG SER 128 HG SER 128 2.997 13.483 0.430 927 H GLY 129 H GLY 129 2.669 12.348 4.509 928 HA2 GLY 129 HA2 GLY 129 0.400 12.365 5.087 929 HA3 GLY 129 HA3 GLY 129 0.046 13.179 3.572 930 H GLU 130 H GLU 130 2.026 10.739 2.705 931 HA GLU 130 HA GLU 130 -0.243 8.986 2.132 932 HB2 GLU 130 HB2 GLU 130 1.194 9.814 0.227 933 HB3 GLU 130 HB3 GLU 130 2.506 8.845 0.889 934 HG2 GLU 130 HG2 GLU 130 1.045 6.839 0.681 935 HG3 GLU 130 HG3 GLU 130 -0.144 7.849 -0.133 936 H ALA 131 H ALA 131 -0.482 7.167 3.158 937 HA ALA 131 HA ALA 131 1.850 5.924 4.469 938 HB1 ALA 131 HB1 ALA 131 -1.077 5.612 5.159 939 HB2 ALA 131 HB2 ALA 131 0.083 6.606 6.040 940 HB3 ALA 131 HB3 ALA 131 0.278 4.854 5.999 941 H TYR 132 H TYR 132 1.944 3.564 4.344 942 HA TYR 132 HA TYR 132 0.472 2.433 2.068 943 HB2 TYR 132 HB2 TYR 132 2.565 3.415 1.221 944 HB3 TYR 132 HB3 TYR 132 3.485 2.475 2.384 945 HD1 TYR 132 HD2 TYR 132 1.085 2.006 -0.441 946 HD2 TYR 132 HD1 TYR 132 4.437 0.496 1.698 947 HE1 TYR 132 HE2 TYR 132 1.354 0.230 -2.123 948 HE2 TYR 132 HE1 TYR 132 4.718 -1.277 0.021 949 HH TYR 132 HH TYR 132 3.072 -1.258 -2.971 950 H GLU 133 H GLU 133 -0.491 0.670 2.926 951 HA GLU 133 HA GLU 133 1.028 -0.910 4.888 952 HB2 GLU 133 HB2 GLU 133 -1.943 -0.653 4.444 953 HB3 GLU 133 HB3 GLU 133 -1.231 -1.871 5.491 954 HG2 GLU 133 HG2 GLU 133 -0.182 -0.016 6.798 955 HG3 GLU 133 HG3 GLU 133 -1.112 1.117 5.818 956 H ILE 134 H ILE 134 1.876 -2.707 4.202 957 HA ILE 134 HA ILE 134 0.961 -4.019 1.783 958 HB ILE 134 HB ILE 134 3.187 -4.686 3.716 959 HG12 ILE 134 HG12 ILE 134 3.247 -3.541 0.916 960 HG13 ILE 134 HG13 ILE 134 3.535 -2.638 2.400 961 HG21 ILE 134 HG21 ILE 134 3.962 -6.291 2.014 962 HG22 ILE 134 HG22 ILE 134 2.486 -5.994 1.093 963 HG23 ILE 134 HG23 ILE 134 2.394 -6.728 2.693 964 HD11 ILE 134 HD11 ILE 134 5.526 -3.953 2.832 965 HD12 ILE 134 HD12 ILE 134 5.607 -3.198 1.240 966 HD13 ILE 134 HD13 ILE 134 5.222 -4.913 1.385 967 H TYR 135 H TYR 135 -0.611 -5.508 1.799 968 HA TYR 135 HA TYR 135 -1.184 -6.890 4.331 969 HB2 TYR 135 HB2 TYR 135 -2.920 -6.336 1.926 970 HB3 TYR 135 HB3 TYR 135 -3.399 -7.406 3.235 971 HD1 TYR 135 HD2 TYR 135 -3.911 -6.503 5.456 972 HD2 TYR 135 HD1 TYR 135 -2.924 -3.933 2.213 973 HE1 TYR 135 HE2 TYR 135 -4.851 -4.602 6.684 974 HE2 TYR 135 HE1 TYR 135 -3.864 -2.024 3.436 975 HH TYR 135 HH TYR 135 -4.589 -2.124 6.720 976 H LEU 136 H LEU 136 -1.926 -9.120 4.172 977 HA LEU 136 HA LEU 136 -1.420 -10.623 1.788 978 HB2 LEU 136 HB2 LEU 136 0.292 -12.097 2.646 979 HB3 LEU 136 HB3 LEU 136 0.875 -10.449 2.672 980 HG LEU 136 HG LEU 136 -0.206 -11.813 5.138 981 HD11 LEU 136 HD11 LEU 136 2.651 -11.672 4.183 982 HD12 LEU 136 HD12 LEU 136 1.654 -13.126 4.264 983 HD13 LEU 136 HD13 LEU 136 2.108 -12.284 5.746 984 HD21 LEU 136 HD21 LEU 136 1.625 -9.441 4.764 985 HD22 LEU 136 HD22 LEU 136 1.099 -10.113 6.307 986 HD23 LEU 136 HD23 LEU 136 -0.076 -9.368 5.222 987 H ASP 137 H ASP 137 -1.846 -10.799 5.301 988 HA ASP 137 HA ASP 137 -4.119 -12.599 4.860 989 HB2 ASP 137 HB2 ASP 137 -1.942 -12.907 6.941 990 HB3 ASP 137 HB3 ASP 137 -3.488 -13.742 7.029 991 H ASN 138 H ASN 138 -5.831 -12.321 6.309 992 HA ASN 138 HA ASN 138 -5.837 -9.706 7.622 993 HB2 ASN 138 HB2 ASN 138 -8.054 -11.677 7.013 994 HB3 ASN 138 HB3 ASN 138 -8.301 -10.157 7.861 995 HD21 ASN 138 HD21 ASN 138 -9.718 -9.449 6.265 996 HD22 ASN 138 HD22 ASN 138 -9.160 -8.917 4.720 997 HA PRO 139 HA PRO 139 -5.668 -11.303 11.798 998 HB2 PRO 139 HB2 PRO 139 -7.741 -9.880 12.961 999 HB3 PRO 139 HB3 PRO 139 -6.090 -9.293 12.772 1000 HG2 PRO 139 HG2 PRO 139 -8.508 -8.723 11.127 1001 HG3 PRO 139 HG3 PRO 139 -7.167 -7.647 11.566 1002 HD2 PRO 139 HD2 PRO 139 -7.390 -8.760 9.112 1003 HD3 PRO 139 HD3 PRO 139 -5.816 -8.437 9.867 1004 H ALA 140 H ALA 140 -6.773 -12.717 13.181 1005 HA ALA 140 HA ALA 140 -8.158 -14.422 13.753 1006 HB1 ALA 140 HB1 ALA 140 -10.220 -13.144 11.958 1007 HB2 ALA 140 HB2 ALA 140 -9.987 -12.775 13.667 1008 HB3 ALA 140 HB3 ALA 140 -10.509 -14.387 13.176 1009 H GLU 141 H GLU 141 -7.970 -13.601 10.368 1010 HA GLU 141 HA GLU 141 -8.366 -16.233 9.342 1011 HB2 GLU 141 HB2 GLU 141 -8.682 -14.204 7.990 1012 HB3 GLU 141 HB3 GLU 141 -6.981 -13.810 8.167 1013 HG2 GLU 141 HG2 GLU 141 -6.363 -15.756 6.877 1014 HG3 GLU 141 HG3 GLU 141 -8.056 -16.242 6.761 1015 H THR 142 H THR 142 -5.727 -14.419 10.637 1016 HA THR 142 HA THR 142 -4.251 -16.902 10.927 1017 HB THR 142 HB THR 142 -3.271 -15.785 8.913 1018 HG1 THR 142 HG1 THR 142 -1.600 -16.825 9.664 1019 HG21 THR 142 HG21 THR 142 -2.515 -13.624 10.877 1020 HG22 THR 142 HG22 THR 142 -3.653 -13.463 9.539 1021 HG23 THR 142 HG23 THR 142 -1.944 -13.751 9.213 1022 H ALA 143 H ALA 143 -2.431 -16.533 12.570 1023 HA ALA 143 HA ALA 143 -3.810 -15.490 14.868 1024 HB1 ALA 143 HB1 ALA 143 -2.635 -17.643 14.913 1025 HB2 ALA 143 HB2 ALA 143 -2.064 -16.533 16.159 1026 HB3 ALA 143 HB3 ALA 143 -1.105 -16.791 14.702 1027 HA PRO 144 HA PRO 144 -1.605 -11.644 15.585 1028 HB2 PRO 144 HB2 PRO 144 -1.676 -12.613 18.397 1029 HB3 PRO 144 HB3 PRO 144 -2.174 -11.054 17.732 1030 HG2 PRO 144 HG2 PRO 144 -3.978 -12.880 18.469 1031 HG3 PRO 144 HG3 PRO 144 -4.232 -11.853 17.047 1032 HD2 PRO 144 HD2 PRO 144 -3.450 -14.724 17.195 1033 HD3 PRO 144 HD3 PRO 144 -4.445 -13.878 15.998 1034 H ASP 145 H ASP 145 0.403 -11.024 16.239 1035 HA ASP 145 HA ASP 145 2.641 -11.092 16.635 1036 HB2 ASP 145 HB2 ASP 145 2.138 -12.588 18.579 1037 HB3 ASP 145 HB3 ASP 145 2.296 -13.970 17.502 1038 H GLN 146 H GLN 146 1.199 -13.853 15.015 1039 HA GLN 146 HA GLN 146 3.373 -13.904 13.075 1040 HB2 GLN 146 HB2 GLN 146 0.776 -15.459 13.146 1041 HB3 GLN 146 HB3 GLN 146 2.096 -15.723 12.014 1042 HG2 GLN 146 HG2 GLN 146 3.565 -16.311 13.897 1043 HG3 GLN 146 HG3 GLN 146 2.205 -16.106 14.998 1044 HE21 GLN 146 HE21 GLN 146 2.303 -18.227 15.688 1045 HE22 GLN 146 HE22 GLN 146 1.793 -19.549 14.689 1046 H LEU 147 H LEU 147 0.482 -12.341 13.685 1047 HA LEU 147 HA LEU 147 -0.275 -11.591 11.047 1048 HB2 LEU 147 HB2 LEU 147 -1.605 -11.473 13.285 1049 HB3 LEU 147 HB3 LEU 147 -0.762 -9.962 13.532 1050 HG LEU 147 HG LEU 147 -3.035 -9.642 12.660 1051 HD11 LEU 147 HD11 LEU 147 -1.359 -7.956 12.162 1052 HD12 LEU 147 HD12 LEU 147 -2.513 -8.117 10.838 1053 HD13 LEU 147 HD13 LEU 147 -0.904 -8.827 10.697 1054 HD21 LEU 147 HD21 LEU 147 -3.221 -11.689 11.369 1055 HD22 LEU 147 HD22 LEU 147 -2.028 -11.081 10.218 1056 HD23 LEU 147 HD23 LEU 147 -3.589 -10.275 10.383 1057 H ARG 148 H ARG 148 1.462 -10.821 9.917 1058 HA ARG 148 HA ARG 148 2.994 -8.622 11.107 1059 HB2 ARG 148 HB2 ARG 148 4.551 -9.162 9.091 1060 HB3 ARG 148 HB3 ARG 148 4.565 -10.203 10.505 1061 HG2 ARG 148 HG2 ARG 148 3.035 -11.752 9.333 1062 HG3 ARG 148 HG3 ARG 148 3.152 -10.727 7.900 1063 HD2 ARG 148 HD2 ARG 148 5.451 -11.186 7.642 1064 HD3 ARG 148 HD3 ARG 148 5.565 -11.899 9.251 1065 HE ARG 148 HE ARG 148 3.734 -13.434 7.844 1066 HH11 ARG 148 HH11 ARG 148 7.113 -12.544 7.549 1067 HH12 ARG 148 HH12 ARG 148 7.574 -14.059 6.820 1068 HH21 ARG 148 HH21 ARG 148 4.366 -15.438 6.878 1069 HH22 ARG 148 HH22 ARG 148 6.032 -15.680 6.449 1070 H THR 149 H THR 149 2.333 -6.709 10.573 1071 HA THR 149 HA THR 149 1.229 -6.242 7.879 1072 HB THR 149 HB THR 149 0.931 -4.506 10.339 1073 HG1 THR 149 HG1 THR 149 -0.205 -6.831 9.860 1074 HG21 THR 149 HG21 THR 149 0.639 -3.309 8.225 1075 HG22 THR 149 HG22 THR 149 -0.907 -3.474 9.060 1076 HG23 THR 149 HG23 THR 149 -0.527 -4.513 7.685 1077 H ARG 150 H ARG 150 2.553 -5.221 6.514 1078 HA ARG 150 HA ARG 150 4.876 -3.824 7.616 1079 HB2 ARG 150 HB2 ARG 150 4.639 -5.650 5.554 1080 HB3 ARG 150 HB3 ARG 150 4.769 -4.115 4.705 1081 HG2 ARG 150 HG2 ARG 150 6.698 -4.961 6.847 1082 HG3 ARG 150 HG3 ARG 150 6.927 -5.337 5.140 1083 HD2 ARG 150 HD2 ARG 150 7.317 -3.145 4.568 1084 HD3 ARG 150 HD3 ARG 150 6.392 -2.516 5.932 1085 HE ARG 150 HE ARG 150 8.316 -2.461 7.130 1086 HH11 ARG 150 HH11 ARG 150 8.802 -4.751 4.504 1087 HH12 ARG 150 HH12 ARG 150 10.458 -5.069 4.935 1088 HH21 ARG 150 HH21 ARG 150 10.489 -2.865 7.660 1089 HH22 ARG 150 HH22 ARG 150 11.415 -4.004 6.730 1090 H VAL 151 H VAL 151 4.158 -1.804 8.140 1091 HA VAL 151 HA VAL 151 2.710 -0.282 6.101 1092 HB VAL 151 HB VAL 151 1.694 -0.284 8.322 1093 HG11 VAL 151 HG11 VAL 151 4.246 1.003 9.273 1094 HG12 VAL 151 HG12 VAL 151 3.669 -0.611 9.690 1095 HG13 VAL 151 HG13 VAL 151 2.775 0.813 10.225 1096 HG21 VAL 151 HG21 VAL 151 1.477 2.138 8.654 1097 HG22 VAL 151 HG22 VAL 151 1.365 1.683 6.953 1098 HG23 VAL 151 HG23 VAL 151 2.852 2.397 7.581 1099 H SER 152 H SER 152 3.550 1.486 5.131 1100 HA SER 152 HA SER 152 6.258 2.337 5.907 1101 HB2 SER 152 HB2 SER 152 5.356 1.976 3.040 1102 HB3 SER 152 HB3 SER 152 6.990 2.295 3.625 1103 HG SER 152 HG SER 152 5.517 -0.027 4.304 1104 H LEU 153 H LEU 153 6.804 4.499 5.236 1105 HA LEU 153 HA LEU 153 4.435 6.176 4.704 1106 HB2 LEU 153 HB2 LEU 153 7.056 6.952 5.995 1107 HB3 LEU 153 HB3 LEU 153 5.743 8.055 5.649 1108 HG LEU 153 HG LEU 153 5.584 7.630 7.937 1109 HD11 LEU 153 HD11 LEU 153 3.426 7.500 6.881 1110 HD12 LEU 153 HD12 LEU 153 3.496 6.357 8.221 1111 HD13 LEU 153 HD13 LEU 153 3.647 5.780 6.561 1112 HD21 LEU 153 HD21 LEU 153 5.639 5.409 8.943 1113 HD22 LEU 153 HD22 LEU 153 7.119 5.749 8.049 1114 HD23 LEU 153 HD23 LEU 153 5.893 4.690 7.354 1115 H MET 154 H MET 154 4.663 7.924 3.211 1116 HA MET 154 HA MET 154 5.985 7.434 0.859 1117 HB2 MET 154 HB2 MET 154 4.117 9.102 1.460 1118 HB3 MET 154 HB3 MET 154 5.417 10.205 1.884 1119 HG2 MET 154 HG2 MET 154 5.200 8.903 -0.803 1120 HG3 MET 154 HG3 MET 154 4.427 10.438 -0.415 1121 HE1 MET 154 HE1 MET 154 7.419 11.365 -2.713 1122 HE2 MET 154 HE2 MET 154 5.670 11.412 -2.487 1123 HE3 MET 154 HE3 MET 154 6.484 9.870 -2.762 1124 H LEU 155 H LEU 155 6.975 9.708 3.421 1125 HA LEU 155 HA LEU 155 8.990 10.145 4.362 1126 HB2 LEU 155 HB2 LEU 155 9.407 7.703 4.047 1127 HB3 LEU 155 HB3 LEU 155 10.154 8.077 2.506 1128 HG LEU 155 HG LEU 155 11.751 9.580 3.847 1129 HD11 LEU 155 HD11 LEU 155 10.683 7.871 6.084 1130 HD12 LEU 155 HD12 LEU 155 10.464 9.613 5.913 1131 HD13 LEU 155 HD13 LEU 155 12.076 8.949 6.169 1132 HD21 LEU 155 HD21 LEU 155 11.840 6.589 4.215 1133 HD22 LEU 155 HD22 LEU 155 13.204 7.693 4.389 1134 HD23 LEU 155 HD23 LEU 155 12.435 7.484 2.816 1135 H HIS 156 H HIS 156 9.332 9.647 0.869 1136 HA HIS 156 HA HIS 156 11.693 10.884 0.369 1137 HB2 HIS 156 HB2 HIS 156 10.456 9.677 -1.323 1138 HB3 HIS 156 HB3 HIS 156 9.216 10.926 -1.356 1139 HD1 HIS 156 HD1 HIS 156 9.486 12.611 -3.149 1140 HD2 HIS 156 HD2 HIS 156 13.092 10.782 -2.202 1141 HE1 HIS 156 HE1 HIS 156 11.145 13.500 -4.805 1142 HE2 HIS 156 HE2 HIS 156 13.354 12.540 -4.083 1143 H GLU 157 H GLU 157 8.559 12.634 0.142 1144 HA GLU 157 HA GLU 157 9.774 15.072 1.022 1145 HB2 GLU 157 HB2 GLU 157 10.622 14.920 -1.311 1146 HB3 GLU 157 HB3 GLU 157 8.962 14.871 -1.886 1147 HG2 GLU 157 HG2 GLU 157 8.578 17.105 -1.000 1148 HG3 GLU 157 HG3 GLU 157 10.230 17.151 -0.384 1149 H SER 158 H SER 158 8.211 16.828 1.127 1150 HA SER 158 HA SER 158 5.609 15.929 1.822 1151 HB2 SER 158 HB2 SER 158 6.412 18.803 1.392 1152 HB3 SER 158 HB3 SER 158 5.234 18.153 2.533 1153 HG SER 158 HG SER 158 6.815 17.510 3.858 1154 H LEU 159 H LEU 159 4.779 15.003 -0.124 1155 HA LEU 159 HA LEU 159 4.191 16.887 -2.289 1156 HB2 LEU 159 HB2 LEU 159 5.193 14.610 -2.745 1157 HB3 LEU 159 HB3 LEU 159 3.686 13.909 -2.200 1158 HG LEU 159 HG LEU 159 3.733 15.862 -4.484 1159 HD11 LEU 159 HD11 LEU 159 3.878 13.939 -6.006 1160 HD12 LEU 159 HD12 LEU 159 4.185 12.884 -4.626 1161 HD13 LEU 159 HD13 LEU 159 5.345 14.144 -5.051 1162 HD21 LEU 159 HD21 LEU 159 1.883 13.597 -3.735 1163 HD22 LEU 159 HD22 LEU 159 1.721 14.624 -5.158 1164 HD23 LEU 159 HD23 LEU 159 1.554 15.320 -3.546 1165 H GLU 160 H GLU 160 2.417 18.030 -1.943 1166 HA GLU 160 HA GLU 160 0.275 17.072 -0.291 1167 HB2 GLU 160 HB2 GLU 160 1.240 19.558 -0.845 1168 HB3 GLU 160 HB3 GLU 160 -0.150 19.502 -1.917 1169 HG2 GLU 160 HG2 GLU 160 -0.255 18.975 1.045 1170 HG3 GLU 160 HG3 GLU 160 -0.618 20.522 0.287 1171 H HIS 161 H HIS 161 -1.878 16.771 -0.967 1172 HA HIS 161 HA HIS 161 -2.129 16.049 -3.814 1173 HB2 HIS 161 HB2 HIS 161 -3.630 14.181 -3.082 1174 HB3 HIS 161 HB3 HIS 161 -1.962 13.992 -2.566 1175 HD1 HIS 161 HD1 HIS 161 -5.221 13.502 -1.324 1176 HD2 HIS 161 HD2 HIS 161 -1.738 15.130 0.276 1177 HE1 HIS 161 HE1 HIS 161 -5.537 13.486 1.175 1178 HE2 HIS 161 HE2 HIS 161 -3.496 14.648 2.103 1179 H HIS 162 H HIS 162 -3.214 17.815 -4.500 1180 HA HIS 162 HA HIS 162 -5.794 18.362 -3.208 1181 HB2 HIS 162 HB2 HIS 162 -5.383 20.816 -3.632 1182 HB3 HIS 162 HB3 HIS 162 -4.395 20.094 -2.368 1183 HD1 HIS 162 HD1 HIS 162 -4.180 21.567 -5.816 1184 HD2 HIS 162 HD2 HIS 162 -1.652 20.034 -2.884 1185 HE1 HIS 162 HE1 HIS 162 -1.848 22.188 -6.530 1186 HE2 HIS 162 HE2 HIS 162 -0.326 21.136 -4.813 1187 H HIS 163 H HIS 163 -7.351 19.396 -4.507 1188 HA HIS 163 HA HIS 163 -6.853 19.664 -7.358 1189 HB2 HIS 163 HB2 HIS 163 -8.766 17.638 -6.200 1190 HB3 HIS 163 HB3 HIS 163 -9.034 18.335 -7.793 1191 HD1 HIS 163 HD1 HIS 163 -7.315 15.618 -6.108 1192 HD2 HIS 163 HD2 HIS 163 -6.798 17.787 -9.623 1193 HE1 HIS 163 HE1 HIS 163 -5.790 14.230 -7.548 1194 HE2 HIS 163 HE2 HIS 163 -5.664 15.462 -9.746 1195 H HIS 164 H HIS 164 -9.366 19.580 -4.859 1196 HA HIS 164 HA HIS 164 -11.063 20.977 -4.299 1197 HB2 HIS 164 HB2 HIS 164 -8.970 22.572 -4.339 1198 HB3 HIS 164 HB3 HIS 164 -9.740 23.234 -5.775 1199 HD1 HIS 164 HD1 HIS 164 -11.499 24.980 -5.387 1200 HD2 HIS 164 HD2 HIS 164 -10.633 22.797 -1.952 1201 HE1 HIS 164 HE1 HIS 164 -12.790 26.084 -3.535 1202 HE2 HIS 164 HE2 HIS 164 -12.431 24.611 -1.526 1203 H HIS 165 H HIS 165 -12.585 22.794 -5.429 1204 HA HIS 165 HA HIS 165 -13.004 21.966 -8.219 1205 HB2 HIS 165 HB2 HIS 165 -15.014 22.522 -6.050 1206 HB3 HIS 165 HB3 HIS 165 -15.451 22.637 -7.753 1207 HD1 HIS 165 HD1 HIS 165 -15.514 20.327 -5.065 1208 HD2 HIS 165 HD2 HIS 165 -14.682 20.050 -9.132 1209 HE1 HIS 165 HE1 HIS 165 -15.759 17.893 -5.646 1210 HE2 HIS 165 HE2 HIS 165 -15.359 17.755 -8.135 1211 H HIS 166 H HIS 166 -13.821 23.592 -9.652 1212 HA HIS 166 HA HIS 166 -13.398 26.338 -8.708 1213 HB2 HIS 166 HB2 HIS 166 -11.315 25.565 -9.787 1214 HB3 HIS 166 HB3 HIS 166 -12.221 25.165 -11.241 1215 HD1 HIS 166 HD1 HIS 166 -12.408 26.960 -12.953 1216 HD2 HIS 166 HD2 HIS 166 -11.324 28.446 -9.219 1217 HE1 HIS 166 HE1 HIS 166 -11.895 29.398 -13.313 1218 HE2 HIS 166 HE2 HIS 166 -11.408 30.311 -11.016 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -2.734 -17.197 22.715 2 H2 MET 1 H2 MET 1 -1.397 -16.997 23.730 3 H3 MET 1 H3 MET 1 -1.605 -18.449 22.885 4 HA MET 1 HA MET 1 0.096 -17.081 21.890 5 HB2 MET 1 HB2 MET 1 -0.839 -17.024 19.569 6 HB3 MET 1 HB3 MET 1 -1.040 -18.560 20.396 7 HG2 MET 1 HG2 MET 1 -3.211 -16.488 20.253 8 HG3 MET 1 HG3 MET 1 -2.994 -17.747 19.038 9 HE1 MET 1 HE1 MET 1 -6.155 -18.926 21.067 10 HE2 MET 1 HE2 MET 1 -5.530 -18.477 19.480 11 HE3 MET 1 HE3 MET 1 -5.698 -17.255 20.741 12 H ASP 2 H ASP 2 0.836 -15.103 22.017 13 HA ASP 2 HA ASP 2 -0.987 -12.883 21.346 14 HB2 ASP 2 HB2 ASP 2 1.144 -12.995 23.487 15 HB3 ASP 2 HB3 ASP 2 0.465 -11.482 22.897 16 H PHE 3 H PHE 3 2.416 -13.804 21.646 17 HA PHE 3 HA PHE 3 4.246 -13.430 20.380 18 HB2 PHE 3 HB2 PHE 3 2.266 -12.719 18.204 19 HB3 PHE 3 HB3 PHE 3 3.986 -13.008 17.965 20 HD1 PHE 3 HD2 PHE 3 4.883 -15.316 18.666 21 HD2 PHE 3 HD1 PHE 3 0.758 -14.466 18.059 22 HE1 PHE 3 HE2 PHE 3 4.438 -17.715 18.374 23 HE2 PHE 3 HE1 PHE 3 0.304 -16.866 17.765 24 HZ PHE 3 HZ PHE 3 2.143 -18.494 17.922 25 H GLU 4 H GLU 4 5.138 -11.553 18.724 26 HA GLU 4 HA GLU 4 4.270 -8.950 19.664 27 HB2 GLU 4 HB2 GLU 4 5.877 -9.804 21.380 28 HB3 GLU 4 HB3 GLU 4 7.105 -9.888 20.126 29 HG2 GLU 4 HG2 GLU 4 6.995 -7.496 19.810 30 HG3 GLU 4 HG3 GLU 4 5.687 -7.379 20.989 31 H CYS 5 H CYS 5 4.814 -7.301 18.301 32 HA CYS 5 HA CYS 5 5.458 -8.066 15.619 33 HB2 CYS 5 HB2 CYS 5 5.090 -5.299 16.782 34 HB3 CYS 5 HB3 CYS 5 5.017 -5.737 15.077 35 HG CYS 5 HG CYS 5 2.762 -6.521 17.524 36 H GLN 6 H GLN 6 7.305 -7.759 14.482 37 HA GLN 6 HA GLN 6 9.603 -6.659 15.913 38 HB2 GLN 6 HB2 GLN 6 10.944 -7.632 14.045 39 HB3 GLN 6 HB3 GLN 6 10.040 -8.811 14.977 40 HG2 GLN 6 HG2 GLN 6 8.405 -9.025 13.245 41 HG3 GLN 6 HG3 GLN 6 9.121 -7.693 12.340 42 HE21 GLN 6 HE21 GLN 6 11.086 -8.020 11.272 43 HE22 GLN 6 HE22 GLN 6 11.692 -9.601 10.922 44 H PHE 7 H PHE 7 8.429 -4.579 15.625 45 HA PHE 7 HA PHE 7 8.347 -3.485 12.979 46 HB2 PHE 7 HB2 PHE 7 7.716 -1.336 14.198 47 HB3 PHE 7 HB3 PHE 7 6.608 -2.692 14.334 48 HD1 PHE 7 HD2 PHE 7 6.504 -3.986 16.450 49 HD2 PHE 7 HD1 PHE 7 8.757 -0.392 16.097 50 HE1 PHE 7 HE2 PHE 7 6.553 -3.779 18.899 51 HE2 PHE 7 HE1 PHE 7 8.806 -0.176 18.546 52 HZ PHE 7 HZ PHE 7 7.704 -1.874 19.950 53 H VAL 8 H VAL 8 10.430 -3.582 12.249 54 HA VAL 8 HA VAL 8 12.431 -1.910 13.553 55 HB VAL 8 HB VAL 8 12.689 -3.497 10.992 56 HG11 VAL 8 HG11 VAL 8 15.102 -3.321 11.429 57 HG12 VAL 8 HG12 VAL 8 14.763 -2.303 12.828 58 HG13 VAL 8 HG13 VAL 8 14.349 -1.742 11.208 59 HG21 VAL 8 HG21 VAL 8 13.452 -4.296 13.801 60 HG22 VAL 8 HG22 VAL 8 13.815 -5.207 12.335 61 HG23 VAL 8 HG23 VAL 8 12.140 -4.986 12.845 62 H CYS 9 H CYS 9 12.136 0.185 13.202 63 HA CYS 9 HA CYS 9 10.862 1.203 10.856 64 HB2 CYS 9 HB2 CYS 9 12.330 2.695 13.041 65 HB3 CYS 9 HB3 CYS 9 11.215 3.393 11.870 66 HG CYS 9 HG CYS 9 9.251 1.343 12.985 67 H GLU 10 H GLU 10 11.956 0.997 9.002 68 HA GLU 10 HA GLU 10 14.614 2.243 8.882 69 HB2 GLU 10 HB2 GLU 10 13.757 -0.327 7.550 70 HB3 GLU 10 HB3 GLU 10 15.220 0.553 7.129 71 HG2 GLU 10 HG2 GLU 10 15.951 0.299 9.503 72 HG3 GLU 10 HG3 GLU 10 14.566 -0.764 9.749 73 H LEU 11 H LEU 11 15.214 3.004 6.776 74 HA LEU 11 HA LEU 11 12.921 4.033 5.283 75 HB2 LEU 11 HB2 LEU 11 14.648 5.611 6.044 76 HB3 LEU 11 HB3 LEU 11 15.864 4.713 5.156 77 HG LEU 11 HG LEU 11 14.621 5.276 3.046 78 HD11 LEU 11 HD11 LEU 11 13.133 7.135 4.891 79 HD12 LEU 11 HD12 LEU 11 12.453 5.761 4.020 80 HD13 LEU 11 HD13 LEU 11 13.061 7.155 3.128 81 HD21 LEU 11 HD21 LEU 11 16.626 6.476 3.717 82 HD22 LEU 11 HD22 LEU 11 15.656 7.570 4.704 83 HD23 LEU 11 HD23 LEU 11 15.471 7.567 2.950 84 H LYS 12 H LYS 12 12.314 3.014 3.462 85 HA LYS 12 HA LYS 12 14.430 1.653 1.934 86 HB2 LYS 12 HB2 LYS 12 13.094 -0.169 1.447 87 HB3 LYS 12 HB3 LYS 12 12.603 0.182 3.096 88 HG2 LYS 12 HG2 LYS 12 10.597 1.257 2.337 89 HG3 LYS 12 HG3 LYS 12 11.118 1.132 0.655 90 HD2 LYS 12 HD2 LYS 12 10.419 -1.140 2.514 91 HD3 LYS 12 HD3 LYS 12 9.499 -0.592 1.113 92 HE2 LYS 12 HE2 LYS 12 12.286 -1.748 1.027 93 HE3 LYS 12 HE3 LYS 12 10.809 -2.632 0.656 94 HZ1 LYS 12 HZ1 LYS 12 11.971 -1.840 -1.333 95 HZ2 LYS 12 HZ2 LYS 12 11.764 -0.235 -0.833 96 HZ3 LYS 12 HZ3 LYS 12 10.413 -1.191 -1.210 97 H GLU 13 H GLU 13 14.098 1.603 -0.352 98 HA GLU 13 HA GLU 13 12.885 4.067 -1.292 99 HB2 GLU 13 HB2 GLU 13 13.996 2.997 -3.510 100 HB3 GLU 13 HB3 GLU 13 14.869 4.006 -2.368 101 HG2 GLU 13 HG2 GLU 13 16.166 2.055 -2.953 102 HG3 GLU 13 HG3 GLU 13 15.724 2.017 -1.249 103 H LEU 14 H LEU 14 11.512 4.120 -3.121 104 HA LEU 14 HA LEU 14 9.944 1.656 -3.493 105 HB2 LEU 14 HB2 LEU 14 9.076 4.539 -3.440 106 HB3 LEU 14 HB3 LEU 14 8.094 3.299 -4.192 107 HG LEU 14 HG LEU 14 7.207 3.660 -2.029 108 HD11 LEU 14 HD11 LEU 14 7.470 1.492 -0.954 109 HD12 LEU 14 HD12 LEU 14 8.899 1.169 -1.936 110 HD13 LEU 14 HD13 LEU 14 7.318 1.328 -2.702 111 HD21 LEU 14 HD21 LEU 14 9.986 3.269 -0.919 112 HD22 LEU 14 HD22 LEU 14 8.517 3.515 0.025 113 HD23 LEU 14 HD23 LEU 14 9.114 4.801 -1.023 114 H ALA 15 H ALA 15 10.542 0.794 -5.346 115 HA ALA 15 HA ALA 15 11.445 2.399 -7.564 116 HB1 ALA 15 HB1 ALA 15 11.758 0.228 -8.686 117 HB2 ALA 15 HB2 ALA 15 11.006 -0.573 -7.305 118 HB3 ALA 15 HB3 ALA 15 12.533 0.286 -7.103 119 HA PRO 16 HA PRO 16 7.618 2.616 -9.847 120 HB2 PRO 16 HB2 PRO 16 9.169 1.928 -12.264 121 HB3 PRO 16 HB3 PRO 16 8.214 3.374 -11.919 122 HG2 PRO 16 HG2 PRO 16 10.889 3.453 -11.961 123 HG3 PRO 16 HG3 PRO 16 9.956 4.417 -10.800 124 HD2 PRO 16 HD2 PRO 16 11.429 1.844 -10.384 125 HD3 PRO 16 HD3 PRO 16 11.328 3.269 -9.327 126 H VAL 17 H VAL 17 6.272 0.956 -9.533 127 HA VAL 17 HA VAL 17 6.887 -1.601 -10.874 128 HB VAL 17 HB VAL 17 5.426 -1.219 -8.243 129 HG11 VAL 17 HG11 VAL 17 6.132 -3.746 -9.726 130 HG12 VAL 17 HG12 VAL 17 4.514 -3.097 -9.463 131 HG13 VAL 17 HG13 VAL 17 5.466 -3.677 -8.096 132 HG21 VAL 17 HG21 VAL 17 7.319 -2.366 -7.213 133 HG22 VAL 17 HG22 VAL 17 7.830 -0.876 -8.006 134 HG23 VAL 17 HG23 VAL 17 8.135 -2.433 -8.775 135 HA PRO 18 HA PRO 18 2.973 -0.804 -12.850 136 HB2 PRO 18 HB2 PRO 18 2.473 -3.280 -13.829 137 HB3 PRO 18 HB3 PRO 18 3.666 -2.191 -14.540 138 HG2 PRO 18 HG2 PRO 18 4.085 -4.494 -12.674 139 HG3 PRO 18 HG3 PRO 18 5.022 -4.026 -14.105 140 HD2 PRO 18 HD2 PRO 18 5.818 -3.453 -11.577 141 HD3 PRO 18 HD3 PRO 18 6.197 -2.411 -12.963 142 H ALA 19 H ALA 19 1.250 -0.460 -11.628 143 HA ALA 19 HA ALA 19 0.050 -2.707 -10.177 144 HB1 ALA 19 HB1 ALA 19 0.490 0.023 -8.969 145 HB2 ALA 19 HB2 ALA 19 1.445 -1.414 -8.600 146 HB3 ALA 19 HB3 ALA 19 -0.270 -1.367 -8.190 147 H LEU 20 H LEU 20 -2.175 -2.322 -9.552 148 HA LEU 20 HA LEU 20 -3.520 -0.309 -11.241 149 HB2 LEU 20 HB2 LEU 20 -3.860 -2.707 -11.926 150 HB3 LEU 20 HB3 LEU 20 -4.617 -2.995 -10.376 151 HG LEU 20 HG LEU 20 -5.718 -0.901 -12.223 152 HD11 LEU 20 HD11 LEU 20 -5.499 -2.957 -13.543 153 HD12 LEU 20 HD12 LEU 20 -7.186 -2.581 -13.199 154 HD13 LEU 20 HD13 LEU 20 -6.363 -3.850 -12.291 155 HD21 LEU 20 HD21 LEU 20 -6.568 -0.984 -9.934 156 HD22 LEU 20 HD22 LEU 20 -6.965 -2.691 -10.137 157 HD23 LEU 20 HD23 LEU 20 -7.808 -1.471 -11.091 158 H LEU 21 H LEU 21 -4.992 0.996 -10.247 159 HA LEU 21 HA LEU 21 -5.934 0.392 -7.590 160 HB2 LEU 21 HB2 LEU 21 -5.000 2.295 -6.472 161 HB3 LEU 21 HB3 LEU 21 -3.695 1.347 -7.152 162 HG LEU 21 HG LEU 21 -4.774 3.803 -8.530 163 HD11 LEU 21 HD11 LEU 21 -2.541 3.600 -6.518 164 HD12 LEU 21 HD12 LEU 21 -4.051 4.492 -6.335 165 HD13 LEU 21 HD13 LEU 21 -2.865 5.003 -7.535 166 HD21 LEU 21 HD21 LEU 21 -2.560 3.800 -9.595 167 HD22 LEU 21 HD22 LEU 21 -3.445 2.310 -9.924 168 HD23 LEU 21 HD23 LEU 21 -2.151 2.320 -8.726 169 H ILE 22 H ILE 22 -7.178 2.311 -6.716 170 HA ILE 22 HA ILE 22 -8.557 3.803 -8.856 171 HB ILE 22 HB ILE 22 -10.003 2.935 -6.362 172 HG12 ILE 22 HG12 ILE 22 -9.066 0.861 -7.389 173 HG13 ILE 22 HG13 ILE 22 -10.825 0.913 -7.393 174 HG21 ILE 22 HG21 ILE 22 -10.950 3.508 -9.165 175 HG22 ILE 22 HG22 ILE 22 -11.030 4.612 -7.792 176 HG23 ILE 22 HG23 ILE 22 -11.976 3.124 -7.783 177 HD11 ILE 22 HD11 ILE 22 -9.018 1.477 -9.731 178 HD12 ILE 22 HD12 ILE 22 -10.779 1.582 -9.748 179 HD13 ILE 22 HD13 ILE 22 -9.991 0.028 -9.474 180 H ARG 23 H ARG 23 -9.763 5.756 -7.784 181 HA ARG 23 HA ARG 23 -8.385 6.563 -5.310 182 HB2 ARG 23 HB2 ARG 23 -9.621 8.366 -7.402 183 HB3 ARG 23 HB3 ARG 23 -8.933 8.908 -5.879 184 HG2 ARG 23 HG2 ARG 23 -7.155 9.294 -7.222 185 HG3 ARG 23 HG3 ARG 23 -6.816 7.611 -6.813 186 HD2 ARG 23 HD2 ARG 23 -6.562 7.944 -9.195 187 HD3 ARG 23 HD3 ARG 23 -7.958 6.909 -8.884 188 HE ARG 23 HE ARG 23 -8.633 9.696 -9.093 189 HH11 ARG 23 HH11 ARG 23 -8.056 6.769 -10.938 190 HH12 ARG 23 HH12 ARG 23 -9.003 7.301 -12.293 191 HH21 ARG 23 HH21 ARG 23 -9.859 10.380 -10.880 192 HH22 ARG 23 HH22 ARG 23 -10.018 9.338 -12.264 193 H THR 24 H THR 24 -9.714 5.863 -3.752 194 HA THR 24 HA THR 24 -12.601 6.251 -4.122 195 HB THR 24 HB THR 24 -11.155 4.422 -2.199 196 HG1 THR 24 HG1 THR 24 -11.305 2.911 -3.713 197 HG21 THR 24 HG21 THR 24 -13.349 3.421 -1.822 198 HG22 THR 24 HG22 THR 24 -14.082 4.595 -2.915 199 HG23 THR 24 HG23 THR 24 -13.363 5.134 -1.397 200 H GLN 25 H GLN 25 -13.308 8.056 -3.199 201 HA GLN 25 HA GLN 25 -12.022 9.179 -0.871 202 HB2 GLN 25 HB2 GLN 25 -14.617 10.005 -2.173 203 HB3 GLN 25 HB3 GLN 25 -13.663 10.945 -1.034 204 HG2 GLN 25 HG2 GLN 25 -11.924 11.262 -2.614 205 HG3 GLN 25 HG3 GLN 25 -12.628 10.085 -3.721 206 HE21 GLN 25 HE21 GLN 25 -11.923 12.883 -4.161 207 HE22 GLN 25 HE22 GLN 25 -13.385 13.650 -4.698 208 H THR 26 H THR 26 -12.719 9.052 1.199 209 HA THR 26 HA THR 26 -15.073 7.352 1.708 210 HB THR 26 HB THR 26 -12.469 7.138 3.219 211 HG1 THR 26 HG1 THR 26 -12.697 6.506 0.775 212 HG21 THR 26 HG21 THR 26 -13.377 4.955 3.894 213 HG22 THR 26 HG22 THR 26 -14.854 5.298 2.994 214 HG23 THR 26 HG23 THR 26 -14.426 6.279 4.396 215 H ALA 27 H ALA 27 -16.231 7.815 3.566 216 HA ALA 27 HA ALA 27 -15.678 10.365 4.849 217 HB1 ALA 27 HB1 ALA 27 -17.940 8.417 5.307 218 HB2 ALA 27 HB2 ALA 27 -17.977 9.783 4.191 219 HB3 ALA 27 HB3 ALA 27 -17.840 10.068 5.927 220 H MET 28 H MET 28 -16.307 10.187 7.399 221 HA MET 28 HA MET 28 -14.154 8.693 8.534 222 HB2 MET 28 HB2 MET 28 -16.276 10.426 9.811 223 HB3 MET 28 HB3 MET 28 -14.968 9.657 10.701 224 HG2 MET 28 HG2 MET 28 -13.348 10.897 9.301 225 HG3 MET 28 HG3 MET 28 -14.702 11.735 8.540 226 HE1 MET 28 HE1 MET 28 -12.278 13.274 9.910 227 HE2 MET 28 HE2 MET 28 -13.144 14.533 10.792 228 HE3 MET 28 HE3 MET 28 -13.651 14.081 9.163 229 H SER 29 H SER 29 -14.219 6.871 9.591 230 HA SER 29 HA SER 29 -14.914 4.916 10.521 231 HB2 SER 29 HB2 SER 29 -17.493 6.446 10.897 232 HB3 SER 29 HB3 SER 29 -17.222 4.820 11.525 233 HG SER 29 HG SER 29 -16.153 5.662 13.110 234 H GLU 30 H GLU 30 -15.356 5.664 7.627 235 HA GLU 30 HA GLU 30 -17.460 3.740 6.911 236 HB2 GLU 30 HB2 GLU 30 -17.630 6.038 6.005 237 HB3 GLU 30 HB3 GLU 30 -16.062 5.842 5.242 238 HG2 GLU 30 HG2 GLU 30 -16.940 4.132 3.787 239 HG3 GLU 30 HG3 GLU 30 -18.499 4.195 4.611 240 H LEU 31 H LEU 31 -14.178 4.017 7.274 241 HA LEU 31 HA LEU 31 -13.037 2.840 5.034 242 HB2 LEU 31 HB2 LEU 31 -11.715 3.987 6.661 243 HB3 LEU 31 HB3 LEU 31 -12.185 2.869 7.921 244 HG LEU 31 HG LEU 31 -10.743 1.690 5.616 245 HD11 LEU 31 HD11 LEU 31 -9.539 3.806 5.956 246 HD12 LEU 31 HD12 LEU 31 -8.576 2.414 6.451 247 HD13 LEU 31 HD13 LEU 31 -9.362 3.420 7.667 248 HD21 LEU 31 HD21 LEU 31 -11.449 0.363 7.558 249 HD22 LEU 31 HD22 LEU 31 -10.492 1.405 8.612 250 HD23 LEU 31 HD23 LEU 31 -9.692 0.402 7.402 251 H GLY 32 H GLY 32 -14.606 1.296 7.770 252 HA2 GLY 32 HA2 GLY 32 -13.431 -1.240 7.588 253 HA3 GLY 32 HA3 GLY 32 -15.000 -0.903 8.297 254 H SER 33 H SER 33 -16.790 -0.591 6.653 255 HA SER 33 HA SER 33 -17.133 -2.983 5.257 256 HB2 SER 33 HB2 SER 33 -18.669 -0.398 4.930 257 HB3 SER 33 HB3 SER 33 -19.227 -2.007 4.471 258 HG SER 33 HG SER 33 -19.793 -0.980 6.673 259 H LEU 34 H LEU 34 -15.837 0.055 4.232 260 HA LEU 34 HA LEU 34 -16.304 0.053 1.515 261 HB2 LEU 34 HB2 LEU 34 -15.280 1.888 2.792 262 HB3 LEU 34 HB3 LEU 34 -13.804 0.951 2.937 263 HG LEU 34 HG LEU 34 -13.652 0.973 0.426 264 HD11 LEU 34 HD11 LEU 34 -14.933 2.649 -0.777 265 HD12 LEU 34 HD12 LEU 34 -15.801 3.069 0.700 266 HD13 LEU 34 HD13 LEU 34 -16.010 1.473 -0.021 267 HD21 LEU 34 HD21 LEU 34 -13.619 3.620 1.862 268 HD22 LEU 34 HD22 LEU 34 -12.802 3.264 0.341 269 HD23 LEU 34 HD23 LEU 34 -12.309 2.439 1.821 270 H PHE 35 H PHE 35 -13.834 -1.733 3.311 271 HA PHE 35 HA PHE 35 -12.259 -2.419 1.067 272 HB2 PHE 35 HB2 PHE 35 -12.483 -3.609 3.821 273 HB3 PHE 35 HB3 PHE 35 -11.403 -4.279 2.600 274 HD1 PHE 35 HD1 PHE 35 -10.093 -2.192 1.323 275 HD2 PHE 35 HD2 PHE 35 -11.381 -2.327 5.379 276 HE1 PHE 35 HE1 PHE 35 -8.378 -0.530 1.921 277 HE2 PHE 35 HE2 PHE 35 -9.667 -0.667 5.981 278 HZ PHE 35 HZ PHE 35 -8.167 0.237 4.251 279 H GLU 36 H GLU 36 -14.936 -4.109 2.667 280 HA GLU 36 HA GLU 36 -14.755 -6.471 1.142 281 HB2 GLU 36 HB2 GLU 36 -17.105 -5.181 2.520 282 HB3 GLU 36 HB3 GLU 36 -17.224 -6.719 1.682 283 HG2 GLU 36 HG2 GLU 36 -16.952 -7.186 3.981 284 HG3 GLU 36 HG3 GLU 36 -15.435 -7.592 3.182 285 H ALA 37 H ALA 37 -16.216 -3.372 0.514 286 HA ALA 37 HA ALA 37 -17.616 -4.239 -1.847 287 HB1 ALA 37 HB1 ALA 37 -18.475 -2.405 -0.485 288 HB2 ALA 37 HB2 ALA 37 -18.152 -1.870 -2.134 289 HB3 ALA 37 HB3 ALA 37 -17.031 -1.457 -0.837 290 H GLY 38 H GLY 38 -14.427 -3.271 -1.110 291 HA2 GLY 38 HA2 GLY 38 -13.758 -2.006 -3.573 292 HA3 GLY 38 HA3 GLY 38 -12.626 -2.612 -2.376 293 H TYR 39 H TYR 39 -12.891 -5.232 -2.305 294 HA TYR 39 HA TYR 39 -11.879 -6.039 -4.865 295 HB2 TYR 39 HB2 TYR 39 -11.461 -8.206 -3.856 296 HB3 TYR 39 HB3 TYR 39 -10.906 -6.930 -2.784 297 HD1 TYR 39 HD1 TYR 39 -13.521 -9.479 -3.314 298 HD2 TYR 39 HD2 TYR 39 -11.815 -6.689 -0.595 299 HE1 TYR 39 HE1 TYR 39 -14.785 -10.511 -1.474 300 HE2 TYR 39 HE2 TYR 39 -13.080 -7.708 1.251 301 HH TYR 39 HH TYR 39 -14.700 -10.706 0.936 302 H HIS 40 H HIS 40 -14.904 -5.895 -3.428 303 HA HIS 40 HA HIS 40 -16.313 -8.018 -4.564 304 HB2 HIS 40 HB2 HIS 40 -16.952 -5.917 -2.964 305 HB3 HIS 40 HB3 HIS 40 -17.679 -5.394 -4.478 306 HD1 HIS 40 HD1 HIS 40 -19.696 -6.790 -5.371 307 HD2 HIS 40 HD2 HIS 40 -18.193 -8.053 -1.703 308 HE1 HIS 40 HE1 HIS 40 -21.448 -8.318 -4.406 309 HE2 HIS 40 HE2 HIS 40 -20.569 -8.977 -2.131 310 H ASP 41 H ASP 41 -15.165 -5.009 -5.906 311 HA ASP 41 HA ASP 41 -16.237 -5.786 -8.537 312 HB2 ASP 41 HB2 ASP 41 -17.396 -3.789 -7.473 313 HB3 ASP 41 HB3 ASP 41 -15.861 -2.938 -7.583 314 H ILE 42 H ILE 42 -14.939 -4.365 -10.256 315 HA ILE 42 HA ILE 42 -13.059 -3.998 -11.422 316 HB ILE 42 HB ILE 42 -11.264 -2.837 -10.555 317 HG12 ILE 42 HG12 ILE 42 -11.735 -3.997 -7.801 318 HG13 ILE 42 HG13 ILE 42 -10.550 -4.617 -8.945 319 HG21 ILE 42 HG21 ILE 42 -12.144 -1.264 -8.898 320 HG22 ILE 42 HG22 ILE 42 -13.490 -2.361 -8.584 321 HG23 ILE 42 HG23 ILE 42 -13.313 -1.614 -10.172 322 HD11 ILE 42 HD11 ILE 42 -9.538 -3.183 -7.250 323 HD12 ILE 42 HD12 ILE 42 -10.560 -1.843 -7.774 324 HD13 ILE 42 HD13 ILE 42 -9.349 -2.511 -8.869 325 H LEU 43 H LEU 43 -13.010 -6.453 -9.044 326 HA LEU 43 HA LEU 43 -10.504 -7.610 -9.495 327 HB2 LEU 43 HB2 LEU 43 -12.143 -8.090 -7.627 328 HB3 LEU 43 HB3 LEU 43 -13.043 -9.069 -8.763 329 HG LEU 43 HG LEU 43 -11.478 -10.265 -7.135 330 HD11 LEU 43 HD11 LEU 43 -10.844 -11.946 -8.786 331 HD12 LEU 43 HD12 LEU 43 -11.188 -10.805 -10.088 332 HD13 LEU 43 HD13 LEU 43 -12.493 -11.378 -9.047 333 HD21 LEU 43 HD21 LEU 43 -9.138 -10.445 -7.844 334 HD22 LEU 43 HD22 LEU 43 -9.555 -8.800 -7.364 335 HD23 LEU 43 HD23 LEU 43 -9.421 -9.212 -9.075 336 H GLN 44 H GLN 44 -13.596 -8.014 -11.156 337 HA GLN 44 HA GLN 44 -12.636 -10.199 -12.757 338 HB2 GLN 44 HB2 GLN 44 -15.145 -8.538 -12.980 339 HB3 GLN 44 HB3 GLN 44 -14.795 -9.954 -13.964 340 HG2 GLN 44 HG2 GLN 44 -14.571 -11.230 -11.784 341 HG3 GLN 44 HG3 GLN 44 -15.299 -9.822 -11.011 342 HE21 GLN 44 HE21 GLN 44 -15.774 -12.456 -13.208 343 HE22 GLN 44 HE22 GLN 44 -17.505 -12.380 -13.251 344 H LEU 45 H LEU 45 -11.936 -6.992 -12.881 345 HA LEU 45 HA LEU 45 -11.723 -6.895 -15.786 346 HB2 LEU 45 HB2 LEU 45 -12.357 -4.856 -14.533 347 HB3 LEU 45 HB3 LEU 45 -10.823 -4.900 -13.691 348 HG LEU 45 HG LEU 45 -10.850 -4.708 -16.681 349 HD11 LEU 45 HD11 LEU 45 -12.414 -2.992 -15.897 350 HD12 LEU 45 HD12 LEU 45 -10.926 -2.279 -16.518 351 HD13 LEU 45 HD13 LEU 45 -11.190 -2.392 -14.778 352 HD21 LEU 45 HD21 LEU 45 -8.776 -3.491 -16.299 353 HD22 LEU 45 HD22 LEU 45 -8.725 -5.064 -15.504 354 HD23 LEU 45 HD23 LEU 45 -9.013 -3.606 -14.556 355 H LEU 46 H LEU 46 -9.738 -7.250 -12.918 356 HA LEU 46 HA LEU 46 -7.268 -7.393 -14.423 357 HB2 LEU 46 HB2 LEU 46 -7.626 -6.478 -12.034 358 HB3 LEU 46 HB3 LEU 46 -7.673 -8.151 -11.537 359 HG LEU 46 HG LEU 46 -5.467 -6.944 -11.243 360 HD11 LEU 46 HD11 LEU 46 -4.127 -8.861 -11.952 361 HD12 LEU 46 HD12 LEU 46 -5.489 -9.457 -12.900 362 HD13 LEU 46 HD13 LEU 46 -5.612 -9.363 -11.143 363 HD21 LEU 46 HD21 LEU 46 -5.391 -7.262 -14.235 364 HD22 LEU 46 HD22 LEU 46 -4.029 -6.795 -13.218 365 HD23 LEU 46 HD23 LEU 46 -5.437 -5.740 -13.347 366 H ALA 47 H ALA 47 -8.860 -9.628 -12.155 367 HA ALA 47 HA ALA 47 -7.359 -11.870 -13.077 368 HB1 ALA 47 HB1 ALA 47 -8.203 -11.739 -10.793 369 HB2 ALA 47 HB2 ALA 47 -8.799 -13.187 -11.602 370 HB3 ALA 47 HB3 ALA 47 -9.861 -11.795 -11.391 371 H GLY 48 H GLY 48 -10.384 -10.438 -13.961 372 HA2 GLY 48 HA2 GLY 48 -11.403 -12.721 -15.366 373 HA3 GLY 48 HA3 GLY 48 -12.035 -11.084 -15.441 374 H GLN 49 H GLN 49 -8.952 -10.550 -16.051 375 HA GLN 49 HA GLN 49 -9.314 -10.698 -18.945 376 HB2 GLN 49 HB2 GLN 49 -8.538 -8.593 -17.722 377 HB3 GLN 49 HB3 GLN 49 -7.019 -9.429 -17.443 378 HG2 GLN 49 HG2 GLN 49 -6.649 -9.604 -19.836 379 HG3 GLN 49 HG3 GLN 49 -8.204 -8.833 -20.147 380 HE21 GLN 49 HE21 GLN 49 -8.462 -6.637 -19.664 381 HE22 GLN 49 HE22 GLN 49 -7.102 -5.584 -19.505 382 H GLY 50 H GLY 50 -8.274 -12.704 -16.643 383 HA2 GLY 50 HA2 GLY 50 -7.169 -14.735 -16.905 384 HA3 GLY 50 HA3 GLY 50 -6.589 -14.191 -18.474 385 H LYS 51 H LYS 51 -6.126 -11.944 -15.962 386 HA LYS 51 HA LYS 51 -3.317 -12.787 -15.718 387 HB2 LYS 51 HB2 LYS 51 -4.423 -9.982 -15.906 388 HB3 LYS 51 HB3 LYS 51 -2.736 -10.379 -15.595 389 HG2 LYS 51 HG2 LYS 51 -2.526 -11.423 -17.741 390 HG3 LYS 51 HG3 LYS 51 -4.250 -11.225 -18.052 391 HD2 LYS 51 HD2 LYS 51 -3.917 -8.760 -17.924 392 HD3 LYS 51 HD3 LYS 51 -2.178 -9.050 -17.805 393 HE2 LYS 51 HE2 LYS 51 -2.158 -10.128 -19.953 394 HE3 LYS 51 HE3 LYS 51 -3.914 -10.041 -20.059 395 HZ1 LYS 51 HZ1 LYS 51 -3.060 -8.311 -21.389 396 HZ2 LYS 51 HZ2 LYS 51 -1.974 -7.803 -20.193 397 HZ3 LYS 51 HZ3 LYS 51 -3.638 -7.563 -19.983 398 H SER 52 H SER 52 -2.259 -11.934 -13.709 399 HA SER 52 HA SER 52 -4.164 -11.551 -11.519 400 HB2 SER 52 HB2 SER 52 -2.829 -13.329 -10.225 401 HB3 SER 52 HB3 SER 52 -3.960 -13.898 -11.454 402 HG SER 52 HG SER 52 -1.537 -13.433 -12.557 403 HA PRO 53 HA PRO 53 -1.200 -8.738 -9.806 404 HB2 PRO 53 HB2 PRO 53 -1.626 -10.050 -7.182 405 HB3 PRO 53 HB3 PRO 53 -1.851 -8.362 -7.647 406 HG2 PRO 53 HG2 PRO 53 -3.937 -9.973 -7.224 407 HG3 PRO 53 HG3 PRO 53 -3.964 -8.735 -8.493 408 HD2 PRO 53 HD2 PRO 53 -3.570 -11.688 -8.733 409 HD3 PRO 53 HD3 PRO 53 -4.453 -10.576 -9.800 410 H SER 54 H SER 54 0.953 -8.718 -9.460 411 HA SER 54 HA SER 54 2.244 -11.337 -9.106 412 HB2 SER 54 HB2 SER 54 2.653 -9.933 -11.219 413 HB3 SER 54 HB3 SER 54 3.579 -8.850 -10.179 414 HG SER 54 HG SER 54 4.463 -11.249 -9.628 415 H GLY 55 H GLY 55 1.190 -9.405 -7.063 416 HA2 GLY 55 HA2 GLY 55 3.298 -9.745 -5.183 417 HA3 GLY 55 HA3 GLY 55 3.145 -8.060 -5.672 418 HA PRO 56 HA PRO 56 -0.061 -9.248 -2.367 419 HB2 PRO 56 HB2 PRO 56 1.562 -7.681 -0.494 420 HB3 PRO 56 HB3 PRO 56 0.917 -9.315 -0.317 421 HG2 PRO 56 HG2 PRO 56 3.550 -8.847 -0.642 422 HG3 PRO 56 HG3 PRO 56 2.760 -10.292 -1.298 423 HD2 PRO 56 HD2 PRO 56 3.540 -7.758 -2.700 424 HD3 PRO 56 HD3 PRO 56 3.717 -9.443 -3.237 425 HA PRO 57 HA PRO 57 -1.752 -5.196 -2.920 426 HB2 PRO 57 HB2 PRO 57 -3.798 -5.702 -0.957 427 HB3 PRO 57 HB3 PRO 57 -3.928 -5.762 -2.715 428 HG2 PRO 57 HG2 PRO 57 -4.119 -7.962 -1.086 429 HG3 PRO 57 HG3 PRO 57 -3.621 -8.021 -2.785 430 HD2 PRO 57 HD2 PRO 57 -1.932 -8.074 -0.312 431 HD3 PRO 57 HD3 PRO 57 -1.755 -9.000 -1.819 432 H PHE 58 H PHE 58 -2.182 -3.194 -1.842 433 HA PHE 58 HA PHE 58 -1.229 -3.119 0.941 434 HB2 PHE 58 HB2 PHE 58 -0.182 -0.911 0.496 435 HB3 PHE 58 HB3 PHE 58 0.575 -2.226 -0.387 436 HD1 PHE 58 HD2 PHE 58 0.208 -2.438 -2.829 437 HD2 PHE 58 HD1 PHE 58 -1.185 0.916 -0.612 438 HE1 PHE 58 HE2 PHE 58 -0.024 -1.158 -4.917 439 HE2 PHE 58 HE1 PHE 58 -1.415 2.205 -2.694 440 HZ PHE 58 HZ PHE 58 -0.835 1.166 -4.852 441 H ALA 59 H ALA 59 -1.787 -0.694 1.766 442 HA ALA 59 HA ALA 59 -4.425 0.071 0.738 443 HB1 ALA 59 HB1 ALA 59 -3.763 -0.230 3.666 444 HB2 ALA 59 HB2 ALA 59 -4.817 -1.291 2.733 445 HB3 ALA 59 HB3 ALA 59 -5.275 0.390 3.006 446 H ARG 60 H ARG 60 -4.129 2.055 -0.026 447 HA ARG 60 HA ARG 60 -2.182 3.806 1.276 448 HB2 ARG 60 HB2 ARG 60 -2.419 5.250 -0.711 449 HB3 ARG 60 HB3 ARG 60 -1.957 3.610 -1.141 450 HG2 ARG 60 HG2 ARG 60 -4.116 3.109 -1.953 451 HG3 ARG 60 HG3 ARG 60 -4.806 4.561 -1.227 452 HD2 ARG 60 HD2 ARG 60 -2.743 4.563 -3.427 453 HD3 ARG 60 HD3 ARG 60 -4.482 4.716 -3.687 454 HE ARG 60 HE ARG 60 -2.874 6.668 -2.145 455 HH11 ARG 60 HH11 ARG 60 -5.492 5.921 -4.380 456 HH12 ARG 60 HH12 ARG 60 -5.935 7.586 -4.581 457 HH21 ARG 60 HH21 ARG 60 -3.464 8.824 -2.422 458 HH22 ARG 60 HH22 ARG 60 -4.806 9.240 -3.473 459 H TYR 61 H TYR 61 -2.683 5.537 2.377 460 HA TYR 61 HA TYR 61 -5.473 6.488 2.394 461 HB2 TYR 61 HB2 TYR 61 -3.604 6.643 4.759 462 HB3 TYR 61 HB3 TYR 61 -5.340 6.911 4.735 463 HD1 TYR 61 HD1 TYR 61 -6.885 4.964 4.568 464 HD2 TYR 61 HD2 TYR 61 -2.681 4.478 5.013 465 HE1 TYR 61 HE1 TYR 61 -7.232 2.637 5.284 466 HE2 TYR 61 HE2 TYR 61 -3.019 2.153 5.725 467 HH TYR 61 HH TYR 61 -4.688 0.749 6.659 468 H PHE 62 H PHE 62 -5.497 8.413 1.431 469 HA PHE 62 HA PHE 62 -3.343 10.320 2.049 470 HB2 PHE 62 HB2 PHE 62 -3.668 9.986 -0.348 471 HB3 PHE 62 HB3 PHE 62 -5.384 10.339 -0.193 472 HD1 PHE 62 HD1 PHE 62 -2.111 11.934 0.652 473 HD2 PHE 62 HD2 PHE 62 -6.071 12.430 -0.829 474 HE1 PHE 62 HE1 PHE 62 -1.652 14.314 0.239 475 HE2 PHE 62 HE2 PHE 62 -5.618 14.812 -1.244 476 HZ PHE 62 HZ PHE 62 -3.409 15.758 -0.709 477 H GLY 63 H GLY 63 -4.002 11.090 4.002 478 HA2 GLY 63 HA2 GLY 63 -6.606 12.474 4.026 479 HA3 GLY 63 HA3 GLY 63 -6.124 11.444 5.364 480 H MET 64 H MET 64 -3.589 13.217 3.903 481 HA MET 64 HA MET 64 -3.276 14.827 6.258 482 HB2 MET 64 HB2 MET 64 -1.736 14.717 3.663 483 HB3 MET 64 HB3 MET 64 -1.336 15.825 4.971 484 HG2 MET 64 HG2 MET 64 -1.273 12.814 5.035 485 HG3 MET 64 HG3 MET 64 0.092 13.925 5.160 486 HE1 MET 64 HE1 MET 64 0.535 15.501 7.270 487 HE2 MET 64 HE2 MET 64 -0.545 15.589 8.660 488 HE3 MET 64 HE3 MET 64 -1.083 16.180 7.087 489 H SER 65 H SER 65 -4.664 15.192 3.130 490 HA SER 65 HA SER 65 -5.244 18.006 3.604 491 HB2 SER 65 HB2 SER 65 -4.708 17.300 1.295 492 HB3 SER 65 HB3 SER 65 -6.062 16.171 1.327 493 HG SER 65 HG SER 65 -6.030 18.900 0.933 494 H ALA 66 H ALA 66 -6.834 18.391 5.015 495 HA ALA 66 HA ALA 66 -8.615 16.275 5.814 496 HB1 ALA 66 HB1 ALA 66 -7.565 17.765 7.444 497 HB2 ALA 66 HB2 ALA 66 -9.324 17.815 7.555 498 HB3 ALA 66 HB3 ALA 66 -8.452 19.130 6.766 499 H GLY 67 H GLY 67 -8.983 17.501 3.102 500 HA2 GLY 67 HA2 GLY 67 -11.674 18.628 3.385 501 HA3 GLY 67 HA3 GLY 67 -10.722 18.590 1.905 502 H THR 68 H THR 68 -10.076 16.176 1.385 503 HA THR 68 HA THR 68 -12.412 14.448 1.768 504 HB THR 68 HB THR 68 -11.623 13.652 -0.661 505 HG1 THR 68 HG1 THR 68 -10.149 15.701 -0.459 506 HG21 THR 68 HG21 THR 68 -13.468 14.977 -1.583 507 HG22 THR 68 HG22 THR 68 -13.476 15.967 -0.122 508 HG23 THR 68 HG23 THR 68 -13.898 14.257 -0.031 509 H PHE 69 H PHE 69 -11.880 12.512 2.540 510 HA PHE 69 HA PHE 69 -9.098 11.758 2.737 511 HB2 PHE 69 HB2 PHE 69 -10.755 11.423 4.585 512 HB3 PHE 69 HB3 PHE 69 -11.551 10.213 3.590 513 HD1 PHE 69 HD2 PHE 69 -7.897 10.606 3.744 514 HD2 PHE 69 HD1 PHE 69 -11.276 8.427 5.133 515 HE1 PHE 69 HE2 PHE 69 -6.403 8.891 4.681 516 HE2 PHE 69 HE1 PHE 69 -9.789 6.713 6.081 517 HZ PHE 69 HZ PHE 69 -7.347 6.944 5.855 518 H GLU 70 H GLU 70 -8.127 10.786 1.153 519 HA GLU 70 HA GLU 70 -9.727 9.274 -0.799 520 HB2 GLU 70 HB2 GLU 70 -8.508 11.237 -1.686 521 HB3 GLU 70 HB3 GLU 70 -6.995 10.531 -1.135 522 HG2 GLU 70 HG2 GLU 70 -7.265 8.675 -2.658 523 HG3 GLU 70 HG3 GLU 70 -8.832 9.297 -3.174 524 H VAL 71 H VAL 71 -9.605 7.152 -0.592 525 HA VAL 71 HA VAL 71 -7.093 5.985 0.428 526 HB VAL 71 HB VAL 71 -8.254 4.448 1.752 527 HG11 VAL 71 HG11 VAL 71 -9.793 7.027 1.931 528 HG12 VAL 71 HG12 VAL 71 -8.290 6.633 2.765 529 HG13 VAL 71 HG13 VAL 71 -9.774 5.767 3.163 530 HG21 VAL 71 HG21 VAL 71 -10.804 5.220 0.346 531 HG22 VAL 71 HG22 VAL 71 -10.670 4.069 1.675 532 HG23 VAL 71 HG23 VAL 71 -9.899 3.722 0.128 533 H GLU 72 H GLU 72 -6.798 3.712 -0.202 534 HA GLU 72 HA GLU 72 -8.626 2.272 -1.753 535 HB2 GLU 72 HB2 GLU 72 -7.067 4.081 -3.331 536 HB3 GLU 72 HB3 GLU 72 -6.564 2.433 -3.695 537 HG2 GLU 72 HG2 GLU 72 -9.319 3.608 -3.908 538 HG3 GLU 72 HG3 GLU 72 -8.297 2.992 -5.208 539 H PHE 73 H PHE 73 -7.815 0.131 -2.277 540 HA PHE 73 HA PHE 73 -5.610 -0.566 -0.568 541 HB2 PHE 73 HB2 PHE 73 -6.012 -2.915 -1.540 542 HB3 PHE 73 HB3 PHE 73 -7.259 -2.216 -0.521 543 HD1 PHE 73 HD1 PHE 73 -9.367 -1.430 -1.512 544 HD2 PHE 73 HD2 PHE 73 -6.407 -3.417 -3.839 545 HE1 PHE 73 HE1 PHE 73 -11.041 -1.881 -3.257 546 HE2 PHE 73 HE2 PHE 73 -8.076 -3.858 -5.588 547 HZ PHE 73 HZ PHE 73 -10.396 -3.091 -5.295 548 H GLY 74 H GLY 74 -6.197 -0.974 -4.078 549 HA2 GLY 74 HA2 GLY 74 -4.707 -0.969 -5.832 550 HA3 GLY 74 HA3 GLY 74 -3.601 -0.100 -4.784 551 H PHE 75 H PHE 75 -3.342 -2.404 -6.759 552 HA PHE 75 HA PHE 75 -1.435 -3.857 -5.114 553 HB2 PHE 75 HB2 PHE 75 -2.276 -6.082 -5.912 554 HB3 PHE 75 HB3 PHE 75 -3.359 -5.260 -4.798 555 HD1 PHE 75 HD1 PHE 75 -2.868 -6.389 -8.239 556 HD2 PHE 75 HD2 PHE 75 -5.502 -4.419 -5.538 557 HE1 PHE 75 HE1 PHE 75 -4.709 -6.647 -9.851 558 HE2 PHE 75 HE2 PHE 75 -7.344 -4.671 -7.145 559 HZ PHE 75 HZ PHE 75 -6.952 -5.786 -9.306 560 HA PRO 76 HA PRO 76 0.928 -3.746 -8.900 561 HB2 PRO 76 HB2 PRO 76 2.568 -5.883 -8.363 562 HB3 PRO 76 HB3 PRO 76 2.826 -4.257 -7.726 563 HG2 PRO 76 HG2 PRO 76 1.602 -6.639 -6.407 564 HG3 PRO 76 HG3 PRO 76 2.687 -5.413 -5.728 565 HD2 PRO 76 HD2 PRO 76 0.027 -5.400 -5.270 566 HD3 PRO 76 HD3 PRO 76 0.976 -3.905 -5.384 567 H VAL 77 H VAL 77 0.882 -4.803 -10.877 568 HA VAL 77 HA VAL 77 -0.972 -7.094 -10.894 569 HB VAL 77 HB VAL 77 -1.807 -6.262 -13.074 570 HG11 VAL 77 HG11 VAL 77 -3.017 -5.799 -11.026 571 HG12 VAL 77 HG12 VAL 77 -3.142 -4.432 -12.135 572 HG13 VAL 77 HG13 VAL 77 -2.045 -4.355 -10.754 573 HG21 VAL 77 HG21 VAL 77 0.084 -4.939 -13.796 574 HG22 VAL 77 HG22 VAL 77 -0.112 -3.850 -12.420 575 HG23 VAL 77 HG23 VAL 77 -1.344 -3.911 -13.683 576 H GLU 78 H GLU 78 -1.022 -7.864 -13.379 577 HA GLU 78 HA GLU 78 1.276 -9.465 -13.648 578 HB2 GLU 78 HB2 GLU 78 -1.186 -9.814 -14.435 579 HB3 GLU 78 HB3 GLU 78 -0.672 -8.954 -15.878 580 HG2 GLU 78 HG2 GLU 78 -0.507 -11.269 -16.329 581 HG3 GLU 78 HG3 GLU 78 1.138 -10.657 -16.140 582 H GLY 79 H GLY 79 0.230 -6.489 -15.174 583 HA2 GLY 79 HA2 GLY 79 1.716 -4.967 -16.249 584 HA3 GLY 79 HA3 GLY 79 2.795 -6.316 -16.590 585 H GLY 80 H GLY 80 0.737 -4.210 -17.996 586 HA2 GLY 80 HA2 GLY 80 0.326 -4.305 -20.365 587 HA3 GLY 80 HA3 GLY 80 0.218 -6.057 -20.235 588 H VAL 81 H VAL 81 -1.307 -4.344 -17.737 589 HA VAL 81 HA VAL 81 -3.939 -4.987 -18.885 590 HB VAL 81 HB VAL 81 -3.429 -4.235 -16.015 591 HG11 VAL 81 HG11 VAL 81 -5.487 -5.504 -15.609 592 HG12 VAL 81 HG12 VAL 81 -5.611 -5.841 -17.336 593 HG13 VAL 81 HG13 VAL 81 -5.743 -4.182 -16.750 594 HG21 VAL 81 HG21 VAL 81 -3.308 -7.015 -17.178 595 HG22 VAL 81 HG22 VAL 81 -3.293 -6.620 -15.460 596 HG23 VAL 81 HG23 VAL 81 -1.956 -6.111 -16.492 597 H GLU 82 H GLU 82 -5.623 -3.421 -18.729 598 HA GLU 82 HA GLU 82 -4.659 -0.658 -18.437 599 HB2 GLU 82 HB2 GLU 82 -6.789 -1.583 -20.371 600 HB3 GLU 82 HB3 GLU 82 -6.102 0.031 -20.242 601 HG2 GLU 82 HG2 GLU 82 -3.890 -0.963 -20.869 602 HG3 GLU 82 HG3 GLU 82 -4.746 -2.467 -21.210 603 H GLY 83 H GLY 83 -6.406 0.901 -17.937 604 HA2 GLY 83 HA2 GLY 83 -8.187 -0.284 -15.942 605 HA3 GLY 83 HA3 GLY 83 -7.750 1.414 -16.063 606 H SER 84 H SER 84 -10.151 1.480 -15.701 607 HA SER 84 HA SER 84 -11.456 2.053 -18.191 608 HB2 SER 84 HB2 SER 84 -12.523 -0.178 -16.436 609 HB3 SER 84 HB3 SER 84 -13.422 0.569 -17.755 610 HG SER 84 HG SER 84 -10.954 -0.228 -18.556 611 H GLY 85 H GLY 85 -12.052 4.061 -17.648 612 HA2 GLY 85 HA2 GLY 85 -13.302 5.716 -16.646 613 HA3 GLY 85 HA3 GLY 85 -14.102 4.467 -15.703 614 H ARG 86 H ARG 86 -13.685 4.365 -13.600 615 HA ARG 86 HA ARG 86 -11.845 6.239 -12.417 616 HB2 ARG 86 HB2 ARG 86 -13.496 4.061 -11.116 617 HB3 ARG 86 HB3 ARG 86 -12.660 5.358 -10.274 618 HG2 ARG 86 HG2 ARG 86 -14.098 7.002 -11.342 619 HG3 ARG 86 HG3 ARG 86 -14.923 5.718 -12.231 620 HD2 ARG 86 HD2 ARG 86 -15.594 4.712 -10.079 621 HD3 ARG 86 HD3 ARG 86 -14.845 6.065 -9.236 622 HE ARG 86 HE ARG 86 -16.606 7.237 -10.958 623 HH11 ARG 86 HH11 ARG 86 -16.836 4.821 -8.427 624 HH12 ARG 86 HH12 ARG 86 -18.483 5.216 -8.034 625 HH21 ARG 86 HH21 ARG 86 -18.775 7.757 -10.423 626 HH22 ARG 86 HH22 ARG 86 -19.586 6.873 -9.162 627 H VAL 87 H VAL 87 -11.927 2.847 -13.138 628 HA VAL 87 HA VAL 87 -9.768 2.022 -11.486 629 HB VAL 87 HB VAL 87 -10.736 0.768 -14.064 630 HG11 VAL 87 HG11 VAL 87 -9.217 -0.421 -11.747 631 HG12 VAL 87 HG12 VAL 87 -8.565 -0.062 -13.346 632 HG13 VAL 87 HG13 VAL 87 -9.804 -1.303 -13.159 633 HG21 VAL 87 HG21 VAL 87 -12.589 1.029 -12.519 634 HG22 VAL 87 HG22 VAL 87 -11.651 0.270 -11.234 635 HG23 VAL 87 HG23 VAL 87 -12.134 -0.669 -12.646 636 H VAL 88 H VAL 88 -7.662 2.567 -11.729 637 HA VAL 88 HA VAL 88 -6.742 3.074 -14.484 638 HB VAL 88 HB VAL 88 -5.124 4.744 -13.563 639 HG11 VAL 88 HG11 VAL 88 -8.050 5.377 -13.210 640 HG12 VAL 88 HG12 VAL 88 -7.144 5.436 -14.722 641 HG13 VAL 88 HG13 VAL 88 -6.756 6.559 -13.420 642 HG21 VAL 88 HG21 VAL 88 -6.869 4.607 -11.103 643 HG22 VAL 88 HG22 VAL 88 -5.559 5.750 -11.395 644 HG23 VAL 88 HG23 VAL 88 -5.206 4.033 -11.212 645 H THR 89 H THR 89 -4.842 2.233 -15.091 646 HA THR 89 HA THR 89 -3.315 0.725 -13.066 647 HB THR 89 HB THR 89 -3.221 0.166 -16.024 648 HG1 THR 89 HG1 THR 89 -5.362 -0.123 -14.479 649 HG21 THR 89 HG21 THR 89 -2.578 -2.079 -15.262 650 HG22 THR 89 HG22 THR 89 -2.712 -1.540 -13.587 651 HG23 THR 89 HG23 THR 89 -1.483 -0.842 -14.643 652 H GLY 90 H GLY 90 -0.978 0.697 -13.418 653 HA2 GLY 90 HA2 GLY 90 0.439 2.116 -15.310 654 HA3 GLY 90 HA3 GLY 90 0.032 3.286 -14.061 655 H LEU 91 H LEU 91 2.021 3.611 -13.190 656 HA LEU 91 HA LEU 91 3.054 1.358 -11.664 657 HB2 LEU 91 HB2 LEU 91 5.367 1.843 -12.203 658 HB3 LEU 91 HB3 LEU 91 4.467 1.437 -13.640 659 HG LEU 91 HG LEU 91 6.001 3.130 -14.235 660 HD11 LEU 91 HD11 LEU 91 3.308 4.407 -13.896 661 HD12 LEU 91 HD12 LEU 91 3.874 3.456 -15.270 662 HD13 LEU 91 HD13 LEU 91 4.608 5.021 -14.919 663 HD21 LEU 91 HD21 LEU 91 5.015 4.743 -11.899 664 HD22 LEU 91 HD22 LEU 91 6.160 5.300 -13.120 665 HD23 LEU 91 HD23 LEU 91 6.588 3.960 -12.056 666 H THR 92 H THR 92 4.291 1.946 -9.811 667 HA THR 92 HA THR 92 3.266 4.324 -8.561 668 HB THR 92 HB THR 92 4.697 3.492 -6.617 669 HG1 THR 92 HG1 THR 92 6.176 2.143 -7.497 670 HG21 THR 92 HG21 THR 92 2.302 3.068 -6.760 671 HG22 THR 92 HG22 THR 92 3.137 1.664 -6.097 672 HG23 THR 92 HG23 THR 92 2.597 1.657 -7.775 673 HA PRO 93 HA PRO 93 6.674 6.995 -9.459 674 HB2 PRO 93 HB2 PRO 93 6.525 8.645 -7.285 675 HB3 PRO 93 HB3 PRO 93 5.431 8.751 -8.668 676 HG2 PRO 93 HG2 PRO 93 5.000 7.449 -6.009 677 HG3 PRO 93 HG3 PRO 93 3.880 8.435 -6.967 678 HD2 PRO 93 HD2 PRO 93 3.732 5.745 -6.901 679 HD3 PRO 93 HD3 PRO 93 3.324 6.679 -8.354 680 H SER 94 H SER 94 8.818 7.163 -8.991 681 HA SER 94 HA SER 94 9.855 5.333 -7.034 682 HB2 SER 94 HB2 SER 94 12.086 6.122 -7.931 683 HB3 SER 94 HB3 SER 94 11.003 5.407 -9.125 684 HG SER 94 HG SER 94 10.360 7.644 -9.606 685 H GLY 95 H GLY 95 10.725 5.762 -5.116 686 HA2 GLY 95 HA2 GLY 95 11.730 8.270 -4.275 687 HA3 GLY 95 HA3 GLY 95 10.076 8.072 -3.707 688 H LYS 96 H LYS 96 10.583 7.895 -1.524 689 HA LYS 96 HA LYS 96 11.267 5.259 -0.688 690 HB2 LYS 96 HB2 LYS 96 13.265 5.627 0.508 691 HB3 LYS 96 HB3 LYS 96 13.531 6.341 -1.072 692 HG2 LYS 96 HG2 LYS 96 12.798 7.885 1.409 693 HG3 LYS 96 HG3 LYS 96 14.433 7.679 0.785 694 HD2 LYS 96 HD2 LYS 96 12.167 8.960 -0.733 695 HD3 LYS 96 HD3 LYS 96 13.406 9.839 0.158 696 HE2 LYS 96 HE2 LYS 96 13.972 7.924 -2.101 697 HE3 LYS 96 HE3 LYS 96 13.817 9.667 -2.304 698 HZ1 LYS 96 HZ1 LYS 96 15.826 8.353 -0.545 699 HZ2 LYS 96 HZ2 LYS 96 15.711 10.009 -0.897 700 HZ3 LYS 96 HZ3 LYS 96 16.135 8.911 -2.117 701 H ALA 97 H ALA 97 11.031 4.981 1.650 702 HA ALA 97 HA ALA 97 9.828 7.069 3.205 703 HB1 ALA 97 HB1 ALA 97 8.053 4.846 2.198 704 HB2 ALA 97 HB2 ALA 97 7.947 6.545 1.740 705 HB3 ALA 97 HB3 ALA 97 7.607 6.059 3.399 706 H ALA 98 H ALA 98 8.960 6.160 5.315 707 HA ALA 98 HA ALA 98 10.818 4.089 6.231 708 HB1 ALA 98 HB1 ALA 98 10.769 6.230 7.440 709 HB2 ALA 98 HB2 ALA 98 10.316 4.875 8.474 710 HB3 ALA 98 HB3 ALA 98 9.073 5.955 7.841 711 H SER 99 H SER 99 10.172 2.148 7.040 712 HA SER 99 HA SER 99 7.304 1.629 7.312 713 HB2 SER 99 HB2 SER 99 7.641 -0.507 5.976 714 HB3 SER 99 HB3 SER 99 7.677 0.990 5.045 715 HG SER 99 HG SER 99 10.005 0.874 5.222 716 H SER 100 H SER 100 6.816 -0.358 8.437 717 HA SER 100 HA SER 100 9.031 -1.752 9.727 718 HB2 SER 100 HB2 SER 100 6.796 -0.395 11.255 719 HB3 SER 100 HB3 SER 100 7.912 -1.566 11.959 720 HG SER 100 HG SER 100 9.286 0.326 10.645 721 H LEU 101 H LEU 101 8.399 -3.804 10.640 722 HA LEU 101 HA LEU 101 6.155 -4.946 9.166 723 HB2 LEU 101 HB2 LEU 101 8.482 -6.219 10.603 724 HB3 LEU 101 HB3 LEU 101 7.169 -7.138 9.896 725 HG LEU 101 HG LEU 101 7.800 -6.008 7.682 726 HD11 LEU 101 HD11 LEU 101 9.228 -4.260 8.628 727 HD12 LEU 101 HD12 LEU 101 10.106 -5.270 7.479 728 HD13 LEU 101 HD13 LEU 101 10.345 -5.494 9.213 729 HD21 LEU 101 HD21 LEU 101 9.685 -7.952 8.997 730 HD22 LEU 101 HD22 LEU 101 9.548 -7.668 7.262 731 HD23 LEU 101 HD23 LEU 101 8.189 -8.352 8.154 732 H TYR 102 H TYR 102 4.283 -4.894 10.211 733 HA TYR 102 HA TYR 102 4.158 -5.260 13.091 734 HB2 TYR 102 HB2 TYR 102 2.648 -3.664 11.839 735 HB3 TYR 102 HB3 TYR 102 1.868 -5.066 11.115 736 HD1 TYR 102 HD1 TYR 102 0.485 -6.573 12.506 737 HD2 TYR 102 HD2 TYR 102 2.216 -3.038 14.124 738 HE1 TYR 102 HE1 TYR 102 -1.023 -6.727 14.440 739 HE2 TYR 102 HE2 TYR 102 0.711 -3.186 16.063 740 HH TYR 102 HH TYR 102 -1.008 -5.947 16.846 741 H ILE 103 H ILE 103 3.688 -7.137 14.096 742 HA ILE 103 HA ILE 103 3.178 -9.474 12.386 743 HB ILE 103 HB ILE 103 4.372 -9.383 15.167 744 HG12 ILE 103 HG12 ILE 103 5.927 -8.539 13.489 745 HG13 ILE 103 HG13 ILE 103 6.450 -10.124 14.045 746 HG21 ILE 103 HG21 ILE 103 3.973 -11.727 13.311 747 HG22 ILE 103 HG22 ILE 103 3.067 -11.412 14.792 748 HG23 ILE 103 HG23 ILE 103 4.793 -11.769 14.872 749 HD11 ILE 103 HD11 ILE 103 6.717 -9.882 11.641 750 HD12 ILE 103 HD12 ILE 103 4.992 -9.556 11.473 751 HD13 ILE 103 HD13 ILE 103 5.541 -11.138 12.025 752 H GLY 104 H GLY 104 1.074 -9.789 12.306 753 HA2 GLY 104 HA2 GLY 104 -0.718 -10.852 13.762 754 HA3 GLY 104 HA3 GLY 104 -0.519 -9.410 14.757 755 HA PRO 105 HA PRO 105 -3.582 -8.639 11.274 756 HB2 PRO 105 HB2 PRO 105 -5.728 -8.546 13.218 757 HB3 PRO 105 HB3 PRO 105 -5.549 -9.609 11.821 758 HG2 PRO 105 HG2 PRO 105 -5.404 -10.485 14.400 759 HG3 PRO 105 HG3 PRO 105 -4.566 -11.272 13.050 760 HD2 PRO 105 HD2 PRO 105 -3.488 -9.377 15.105 761 HD3 PRO 105 HD3 PRO 105 -2.749 -10.846 14.426 762 H TYR 106 H TYR 106 -4.218 -7.426 14.571 763 HA TYR 106 HA TYR 106 -3.500 -4.744 13.965 764 HB2 TYR 106 HB2 TYR 106 -6.339 -5.544 13.673 765 HB3 TYR 106 HB3 TYR 106 -6.051 -4.091 14.623 766 HD1 TYR 106 HD2 TYR 106 -4.237 -2.461 13.456 767 HD2 TYR 106 HD1 TYR 106 -6.755 -5.223 11.421 768 HE1 TYR 106 HE2 TYR 106 -3.996 -1.151 11.393 769 HE2 TYR 106 HE1 TYR 106 -6.520 -3.914 9.349 770 HH TYR 106 HH TYR 106 -4.167 -1.525 8.933 771 H GLY 107 H GLY 107 -4.438 -3.279 15.839 772 HA2 GLY 107 HA2 GLY 107 -5.301 -3.654 18.210 773 HA3 GLY 107 HA3 GLY 107 -3.981 -4.810 18.312 774 H GLU 108 H GLU 108 -1.795 -3.850 17.654 775 HA GLU 108 HA GLU 108 -1.517 -1.341 19.154 776 HB2 GLU 108 HB2 GLU 108 0.572 -3.403 18.424 777 HB3 GLU 108 HB3 GLU 108 0.842 -1.976 19.416 778 HG2 GLU 108 HG2 GLU 108 -0.871 -2.876 21.007 779 HG3 GLU 108 HG3 GLU 108 -0.852 -4.367 20.068 780 H ILE 109 H ILE 109 -2.461 -1.247 16.512 781 HA ILE 109 HA ILE 109 -0.402 -0.699 14.645 782 HB ILE 109 HB ILE 109 -2.747 -1.273 14.024 783 HG12 ILE 109 HG12 ILE 109 -2.942 0.518 12.198 784 HG13 ILE 109 HG13 ILE 109 -1.484 1.218 12.894 785 HG21 ILE 109 HG21 ILE 109 -4.451 0.482 13.994 786 HG22 ILE 109 HG22 ILE 109 -3.351 1.555 14.861 787 HG23 ILE 109 HG23 ILE 109 -3.939 0.083 15.634 788 HD11 ILE 109 HD11 ILE 109 -0.282 -0.866 12.464 789 HD12 ILE 109 HD12 ILE 109 -0.974 -0.199 10.985 790 HD13 ILE 109 HD13 ILE 109 -1.748 -1.569 11.781 791 H GLU 110 H GLU 110 -1.897 1.164 17.170 792 HA GLU 110 HA GLU 110 -1.088 3.740 16.312 793 HB2 GLU 110 HB2 GLU 110 -1.736 2.573 19.008 794 HB3 GLU 110 HB3 GLU 110 -1.129 4.215 18.859 795 HG2 GLU 110 HG2 GLU 110 -3.511 4.270 19.015 796 HG3 GLU 110 HG3 GLU 110 -3.034 4.751 17.389 797 H ALA 111 H ALA 111 0.442 1.303 18.369 798 HA ALA 111 HA ALA 111 2.612 2.765 19.282 799 HB1 ALA 111 HB1 ALA 111 2.564 -0.185 18.672 800 HB2 ALA 111 HB2 ALA 111 1.960 0.565 20.148 801 HB3 ALA 111 HB3 ALA 111 3.678 0.646 19.759 802 H VAL 112 H VAL 112 2.392 0.765 16.352 803 HA VAL 112 HA VAL 112 5.100 1.134 15.627 804 HB VAL 112 HB VAL 112 3.772 -0.745 14.782 805 HG11 VAL 112 HG11 VAL 112 2.338 1.319 13.124 806 HG12 VAL 112 HG12 VAL 112 1.645 0.343 14.419 807 HG13 VAL 112 HG13 VAL 112 2.196 -0.428 12.932 808 HG21 VAL 112 HG21 VAL 112 5.791 -0.084 13.599 809 HG22 VAL 112 HG22 VAL 112 4.854 1.023 12.597 810 HG23 VAL 112 HG23 VAL 112 4.580 -0.715 12.482 811 H TYR 113 H TYR 113 2.193 2.988 14.970 812 HA TYR 113 HA TYR 113 3.311 4.650 12.959 813 HB2 TYR 113 HB2 TYR 113 0.915 4.810 14.740 814 HB3 TYR 113 HB3 TYR 113 1.438 6.264 13.900 815 HD1 TYR 113 HD1 TYR 113 1.194 2.666 12.872 816 HD2 TYR 113 HD2 TYR 113 0.057 6.694 12.124 817 HE1 TYR 113 HE1 TYR 113 -0.024 1.942 10.862 818 HE2 TYR 113 HE2 TYR 113 -1.162 5.984 10.112 819 HH TYR 113 HH TYR 113 -1.893 2.753 9.430 820 H ASP 114 H ASP 114 2.959 5.026 16.477 821 HA ASP 114 HA ASP 114 4.204 7.574 16.612 822 HB2 ASP 114 HB2 ASP 114 3.809 5.435 18.711 823 HB3 ASP 114 HB3 ASP 114 4.522 7.002 19.061 824 H ALA 115 H ALA 115 5.430 4.375 16.324 825 HA ALA 115 HA ALA 115 8.089 5.029 17.248 826 HB1 ALA 115 HB1 ALA 115 8.648 2.743 16.653 827 HB2 ALA 115 HB2 ALA 115 7.097 2.555 15.838 828 HB3 ALA 115 HB3 ALA 115 7.152 2.781 17.585 829 H LEU 116 H LEU 116 6.412 4.679 14.179 830 HA LEU 116 HA LEU 116 8.691 4.668 12.521 831 HB2 LEU 116 HB2 LEU 116 5.793 5.268 12.084 832 HB3 LEU 116 HB3 LEU 116 6.950 5.583 10.804 833 HG LEU 116 HG LEU 116 6.576 2.891 12.116 834 HD11 LEU 116 HD11 LEU 116 5.541 3.886 9.464 835 HD12 LEU 116 HD12 LEU 116 4.563 3.573 10.897 836 HD13 LEU 116 HD13 LEU 116 5.397 2.244 10.092 837 HD21 LEU 116 HD21 LEU 116 8.792 3.247 11.165 838 HD22 LEU 116 HD22 LEU 116 8.066 3.744 9.635 839 HD23 LEU 116 HD23 LEU 116 7.874 2.086 10.206 840 H MET 117 H MET 117 6.593 7.318 13.617 841 HA MET 117 HA MET 117 7.826 9.256 11.963 842 HB2 MET 117 HB2 MET 117 5.536 9.477 12.960 843 HB3 MET 117 HB3 MET 117 6.304 9.798 14.512 844 HG2 MET 117 HG2 MET 117 7.419 11.755 13.548 845 HG3 MET 117 HG3 MET 117 6.627 11.439 12.008 846 HE1 MET 117 HE1 MET 117 4.483 12.748 15.869 847 HE2 MET 117 HE2 MET 117 6.232 12.632 15.690 848 HE3 MET 117 HE3 MET 117 5.247 11.169 15.686 849 H LYS 118 H LYS 118 8.519 8.150 15.243 850 HA LYS 118 HA LYS 118 10.145 10.333 15.971 851 HB2 LYS 118 HB2 LYS 118 10.900 8.994 17.804 852 HB3 LYS 118 HB3 LYS 118 9.186 8.706 17.588 853 HG2 LYS 118 HG2 LYS 118 9.502 6.555 16.851 854 HG3 LYS 118 HG3 LYS 118 11.150 6.870 16.306 855 HD2 LYS 118 HD2 LYS 118 10.526 7.073 19.216 856 HD3 LYS 118 HD3 LYS 118 10.681 5.474 18.486 857 HE2 LYS 118 HE2 LYS 118 12.806 6.218 19.433 858 HE3 LYS 118 HE3 LYS 118 12.915 6.044 17.684 859 HZ1 LYS 118 HZ1 LYS 118 12.458 8.640 19.059 860 HZ2 LYS 118 HZ2 LYS 118 12.817 8.394 17.421 861 HZ3 LYS 118 HZ3 LYS 118 13.989 8.074 18.596 862 H TRP 119 H TRP 119 10.728 7.586 13.949 863 HA TRP 119 HA TRP 119 13.575 7.650 14.211 864 HB2 TRP 119 HB2 TRP 119 12.446 5.597 13.483 865 HB3 TRP 119 HB3 TRP 119 11.873 6.418 12.033 866 HD1 TRP 119 HD1 TRP 119 15.114 5.091 13.622 867 HE1 TRP 119 HE1 TRP 119 16.871 4.791 11.767 868 HE3 TRP 119 HE3 TRP 119 12.522 7.136 9.714 869 HZ2 TRP 119 HZ2 TRP 119 17.117 5.338 9.010 870 HZ3 TRP 119 HZ3 TRP 119 13.593 7.209 7.501 871 HH2 TRP 119 HH2 TRP 119 15.846 6.327 7.161 872 H VAL 120 H VAL 120 11.280 8.826 11.749 873 HA VAL 120 HA VAL 120 13.327 10.014 10.160 874 HB VAL 120 HB VAL 120 11.110 9.361 9.260 875 HG11 VAL 120 HG11 VAL 120 9.657 10.113 11.030 876 HG12 VAL 120 HG12 VAL 120 9.202 10.877 9.506 877 HG13 VAL 120 HG13 VAL 120 10.104 11.789 10.715 878 HG21 VAL 120 HG21 VAL 120 11.900 12.234 8.856 879 HG22 VAL 120 HG22 VAL 120 10.860 11.305 7.776 880 HG23 VAL 120 HG23 VAL 120 12.545 10.835 8.000 881 H ASP 121 H ASP 121 11.267 11.082 12.750 882 HA ASP 121 HA ASP 121 11.809 13.828 12.731 883 HB2 ASP 121 HB2 ASP 121 10.095 12.839 14.168 884 HB3 ASP 121 HB3 ASP 121 11.333 11.996 15.096 885 H ASP 122 H ASP 122 13.585 11.127 14.137 886 HA ASP 122 HA ASP 122 15.675 12.766 15.229 887 HB2 ASP 122 HB2 ASP 122 15.130 10.609 16.238 888 HB3 ASP 122 HB3 ASP 122 15.525 9.781 14.735 889 H ASN 123 H ASN 123 15.217 10.810 12.339 890 HA ASN 123 HA ASN 123 17.833 10.920 11.343 891 HB2 ASN 123 HB2 ASN 123 15.985 9.389 10.595 892 HB3 ASN 123 HB3 ASN 123 15.290 10.752 9.723 893 HD21 ASN 123 HD21 ASN 123 17.911 8.497 9.902 894 HD22 ASN 123 HD22 ASN 123 18.529 8.778 8.316 895 H GLY 124 H GLY 124 15.111 13.125 11.002 896 HA2 GLY 124 HA2 GLY 124 15.236 15.414 10.591 897 HA3 GLY 124 HA3 GLY 124 16.945 15.230 10.218 898 H PHE 125 H PHE 125 13.937 13.886 8.875 899 HA PHE 125 HA PHE 125 14.617 15.096 6.291 900 HB2 PHE 125 HB2 PHE 125 15.255 12.579 6.524 901 HB3 PHE 125 HB3 PHE 125 13.526 12.291 6.426 902 HD1 PHE 125 HD1 PHE 125 16.450 13.622 4.630 903 HD2 PHE 125 HD2 PHE 125 12.383 12.406 4.348 904 HE1 PHE 125 HE1 PHE 125 16.609 13.688 2.176 905 HE2 PHE 125 HE2 PHE 125 12.534 12.467 1.891 906 HZ PHE 125 HZ PHE 125 14.647 13.109 0.803 907 H ASP 126 H ASP 126 12.653 15.028 4.805 908 HA ASP 126 HA ASP 126 10.111 14.771 6.192 909 HB2 ASP 126 HB2 ASP 126 10.867 17.062 6.746 910 HB3 ASP 126 HB3 ASP 126 10.948 17.433 5.028 911 H LEU 127 H LEU 127 8.702 13.881 4.878 912 HA LEU 127 HA LEU 127 8.451 14.834 2.130 913 HB2 LEU 127 HB2 LEU 127 8.832 11.946 2.884 914 HB3 LEU 127 HB3 LEU 127 7.996 12.411 1.420 915 HG LEU 127 HG LEU 127 10.870 13.076 2.073 916 HD11 LEU 127 HD11 LEU 127 9.666 11.124 0.111 917 HD12 LEU 127 HD12 LEU 127 10.552 10.712 1.580 918 HD13 LEU 127 HD13 LEU 127 11.380 11.518 0.248 919 HD21 LEU 127 HD21 LEU 127 9.245 13.573 -0.419 920 HD22 LEU 127 HD22 LEU 127 10.970 13.891 -0.226 921 HD23 LEU 127 HD23 LEU 127 9.792 14.803 0.720 922 H SER 128 H SER 128 6.420 15.499 1.966 923 HA SER 128 HA SER 128 4.389 14.352 3.713 924 HB2 SER 128 HB2 SER 128 4.222 16.703 1.807 925 HB3 SER 128 HB3 SER 128 2.998 16.236 2.993 926 HG SER 128 HG SER 128 4.618 17.951 3.570 927 H GLY 129 H GLY 129 4.631 12.309 2.435 928 HA2 GLY 129 HA2 GLY 129 3.242 12.354 -0.136 929 HA3 GLY 129 HA3 GLY 129 4.071 10.974 0.574 930 H GLU 130 H GLU 130 2.740 9.399 1.088 931 HA GLU 130 HA GLU 130 0.166 10.025 2.352 932 HB2 GLU 130 HB2 GLU 130 0.619 8.118 0.046 933 HB3 GLU 130 HB3 GLU 130 -0.852 8.158 1.009 934 HG2 GLU 130 HG2 GLU 130 -1.358 10.373 0.268 935 HG3 GLU 130 HG3 GLU 130 0.203 10.512 -0.540 936 H ALA 131 H ALA 131 -0.797 7.964 3.325 937 HA ALA 131 HA ALA 131 1.391 6.395 4.539 938 HB1 ALA 131 HB1 ALA 131 -0.034 7.573 6.130 939 HB2 ALA 131 HB2 ALA 131 -0.247 5.830 6.288 940 HB3 ALA 131 HB3 ALA 131 -1.464 6.795 5.453 941 H TYR 132 H TYR 132 1.513 4.200 4.139 942 HA TYR 132 HA TYR 132 -0.839 2.914 3.011 943 HB2 TYR 132 HB2 TYR 132 0.389 1.950 1.111 944 HB3 TYR 132 HB3 TYR 132 0.311 3.702 1.025 945 HD1 TYR 132 HD2 TYR 132 2.391 5.010 1.782 946 HD2 TYR 132 HD1 TYR 132 2.428 0.835 0.958 947 HE1 TYR 132 HE2 TYR 132 4.831 5.094 1.494 948 HE2 TYR 132 HE1 TYR 132 4.868 0.907 0.669 949 HH TYR 132 HH TYR 132 6.754 3.443 1.701 950 H GLU 133 H GLU 133 -1.180 1.015 3.827 951 HA GLU 133 HA GLU 133 0.958 -0.351 5.295 952 HB2 GLU 133 HB2 GLU 133 -2.011 -0.942 5.171 953 HB3 GLU 133 HB3 GLU 133 -0.851 -1.717 6.237 954 HG2 GLU 133 HG2 GLU 133 -0.469 0.383 7.388 955 HG3 GLU 133 HG3 GLU 133 -1.571 1.203 6.283 956 H ILE 134 H ILE 134 2.057 -1.917 4.251 957 HA ILE 134 HA ILE 134 0.880 -3.128 1.871 958 HB ILE 134 HB ILE 134 3.655 -3.495 3.019 959 HG12 ILE 134 HG12 ILE 134 2.720 -1.774 0.708 960 HG13 ILE 134 HG13 ILE 134 3.177 -1.168 2.296 961 HG21 ILE 134 HG21 ILE 134 4.190 -4.436 0.819 962 HG22 ILE 134 HG22 ILE 134 2.505 -4.250 0.333 963 HG23 ILE 134 HG23 ILE 134 2.929 -5.366 1.630 964 HD11 ILE 134 HD11 ILE 134 4.973 -0.865 0.700 965 HD12 ILE 134 HD12 ILE 134 4.981 -2.595 0.357 966 HD13 ILE 134 HD13 ILE 134 5.449 -2.011 1.955 967 H TYR 135 H TYR 135 -0.308 -4.915 2.101 968 HA TYR 135 HA TYR 135 0.096 -6.542 4.503 969 HB2 TYR 135 HB2 TYR 135 -2.176 -6.560 2.502 970 HB3 TYR 135 HB3 TYR 135 -2.098 -7.533 3.966 971 HD1 TYR 135 HD2 TYR 135 -2.270 -6.442 6.190 972 HD2 TYR 135 HD1 TYR 135 -2.801 -4.257 2.577 973 HE1 TYR 135 HE2 TYR 135 -3.351 -4.628 7.448 974 HE2 TYR 135 HE1 TYR 135 -3.882 -2.443 3.826 975 HH TYR 135 HH TYR 135 -3.713 -2.119 7.128 976 H LEU 136 H LEU 136 1.815 -7.822 4.021 977 HA LEU 136 HA LEU 136 2.169 -9.168 1.547 978 HB2 LEU 136 HB2 LEU 136 3.288 -9.794 4.284 979 HB3 LEU 136 HB3 LEU 136 3.792 -10.586 2.808 980 HG LEU 136 HG LEU 136 5.464 -9.010 3.314 981 HD11 LEU 136 HD11 LEU 136 3.680 -7.794 1.216 982 HD12 LEU 136 HD12 LEU 136 4.877 -9.066 0.966 983 HD13 LEU 136 HD13 LEU 136 5.395 -7.448 1.441 984 HD21 LEU 136 HD21 LEU 136 5.027 -6.637 3.725 985 HD22 LEU 136 HD22 LEU 136 4.263 -7.669 4.934 986 HD23 LEU 136 HD23 LEU 136 3.293 -6.948 3.649 987 H ASP 137 H ASP 137 0.778 -10.029 4.650 988 HA ASP 137 HA ASP 137 -0.615 -12.267 3.360 989 HB2 ASP 137 HB2 ASP 137 0.726 -12.257 6.073 990 HB3 ASP 137 HB3 ASP 137 -0.463 -13.464 5.593 991 H ASN 138 H ASN 138 -2.769 -12.283 3.709 992 HA ASN 138 HA ASN 138 -3.897 -9.965 5.026 993 HB2 ASN 138 HB2 ASN 138 -4.711 -10.946 2.830 994 HB3 ASN 138 HB3 ASN 138 -5.337 -12.305 3.749 995 HD21 ASN 138 HD21 ASN 138 -7.452 -11.993 3.291 996 HD22 ASN 138 HD22 ASN 138 -8.361 -10.627 3.831 997 HA PRO 139 HA PRO 139 -4.770 -12.093 8.878 998 HB2 PRO 139 HB2 PRO 139 -6.773 -10.449 9.757 999 HB3 PRO 139 HB3 PRO 139 -5.054 -10.078 9.915 1000 HG2 PRO 139 HG2 PRO 139 -7.025 -9.113 7.885 1001 HG3 PRO 139 HG3 PRO 139 -5.734 -8.220 8.712 1002 HD2 PRO 139 HD2 PRO 139 -5.477 -9.111 6.177 1003 HD3 PRO 139 HD3 PRO 139 -4.099 -9.019 7.292 1004 H ALA 140 H ALA 140 -6.490 -13.224 9.903 1005 HA ALA 140 HA ALA 140 -8.387 -14.459 10.094 1006 HB1 ALA 140 HB1 ALA 140 -9.429 -12.967 7.687 1007 HB2 ALA 140 HB2 ALA 140 -9.665 -12.496 9.369 1008 HB3 ALA 140 HB3 ALA 140 -10.366 -13.998 8.768 1009 H GLU 141 H GLU 141 -6.995 -14.129 6.890 1010 HA GLU 141 HA GLU 141 -7.839 -16.787 6.097 1011 HB2 GLU 141 HB2 GLU 141 -6.014 -14.785 4.756 1012 HB3 GLU 141 HB3 GLU 141 -6.480 -16.330 4.060 1013 HG2 GLU 141 HG2 GLU 141 -8.342 -14.072 4.765 1014 HG3 GLU 141 HG3 GLU 141 -7.801 -14.507 3.145 1015 H THR 142 H THR 142 -5.607 -15.729 8.180 1016 HA THR 142 HA THR 142 -4.111 -18.188 8.034 1017 HB THR 142 HB THR 142 -2.860 -16.641 6.517 1018 HG1 THR 142 HG1 THR 142 -0.859 -17.166 7.393 1019 HG21 THR 142 HG21 THR 142 -2.377 -15.071 9.048 1020 HG22 THR 142 HG22 THR 142 -3.338 -14.540 7.667 1021 HG23 THR 142 HG23 THR 142 -1.602 -14.788 7.490 1022 H ALA 143 H ALA 143 -2.320 -18.014 9.893 1023 HA ALA 143 HA ALA 143 -3.870 -17.380 12.279 1024 HB1 ALA 143 HB1 ALA 143 -2.843 -19.595 12.076 1025 HB2 ALA 143 HB2 ALA 143 -2.224 -18.709 13.470 1026 HB3 ALA 143 HB3 ALA 143 -1.248 -18.843 12.006 1027 HA PRO 144 HA PRO 144 -1.522 -13.855 13.729 1028 HB2 PRO 144 HB2 PRO 144 -1.137 -15.488 16.195 1029 HB3 PRO 144 HB3 PRO 144 -1.695 -13.820 16.023 1030 HG2 PRO 144 HG2 PRO 144 -3.416 -15.786 16.549 1031 HG3 PRO 144 HG3 PRO 144 -3.847 -14.455 15.459 1032 HD2 PRO 144 HD2 PRO 144 -3.128 -17.273 14.813 1033 HD3 PRO 144 HD3 PRO 144 -4.250 -16.171 13.992 1034 H ASP 145 H ASP 145 0.535 -13.269 13.845 1035 HA ASP 145 HA ASP 145 2.808 -13.276 13.885 1036 HB2 ASP 145 HB2 ASP 145 2.731 -14.793 15.801 1037 HB3 ASP 145 HB3 ASP 145 2.557 -16.171 14.722 1038 H GLN 146 H GLN 146 1.062 -15.701 12.123 1039 HA GLN 146 HA GLN 146 3.278 -16.186 10.311 1040 HB2 GLN 146 HB2 GLN 146 0.438 -17.215 10.319 1041 HB3 GLN 146 HB3 GLN 146 1.664 -17.684 9.148 1042 HG2 GLN 146 HG2 GLN 146 3.046 -18.561 10.988 1043 HG3 GLN 146 HG3 GLN 146 1.759 -18.152 12.120 1044 HE21 GLN 146 HE21 GLN 146 2.966 -20.729 11.431 1045 HE22 GLN 146 HE22 GLN 146 1.655 -21.743 10.933 1046 H LEU 147 H LEU 147 0.996 -13.852 10.708 1047 HA LEU 147 HA LEU 147 1.082 -13.159 7.860 1048 HB2 LEU 147 HB2 LEU 147 -0.873 -11.890 8.094 1049 HB3 LEU 147 HB3 LEU 147 -1.187 -13.382 8.953 1050 HG LEU 147 HG LEU 147 -0.298 -10.905 10.406 1051 HD11 LEU 147 HD11 LEU 147 -2.630 -10.377 10.809 1052 HD12 LEU 147 HD12 LEU 147 -3.133 -11.730 9.796 1053 HD13 LEU 147 HD13 LEU 147 -2.293 -10.356 9.078 1054 HD21 LEU 147 HD21 LEU 147 -1.438 -11.984 12.282 1055 HD22 LEU 147 HD22 LEU 147 -0.173 -13.019 11.618 1056 HD23 LEU 147 HD23 LEU 147 -1.865 -13.343 11.240 1057 H ARG 148 H ARG 148 1.753 -11.116 7.260 1058 HA ARG 148 HA ARG 148 3.021 -9.497 9.349 1059 HB2 ARG 148 HB2 ARG 148 5.001 -9.240 7.810 1060 HB3 ARG 148 HB3 ARG 148 4.821 -10.827 8.547 1061 HG2 ARG 148 HG2 ARG 148 3.828 -11.677 6.488 1062 HG3 ARG 148 HG3 ARG 148 3.993 -10.085 5.749 1063 HD2 ARG 148 HD2 ARG 148 5.783 -11.613 5.066 1064 HD3 ARG 148 HD3 ARG 148 6.399 -10.211 5.940 1065 HE ARG 148 HE ARG 148 6.794 -11.617 7.831 1066 HH11 ARG 148 HH11 ARG 148 5.820 -13.347 4.936 1067 HH12 ARG 148 HH12 ARG 148 6.552 -14.842 5.438 1068 HH21 ARG 148 HH21 ARG 148 7.733 -13.563 8.493 1069 HH22 ARG 148 HH22 ARG 148 7.628 -14.974 7.482 1070 H THR 149 H THR 149 2.732 -7.390 9.106 1071 HA THR 149 HA THR 149 1.825 -6.402 6.484 1072 HB THR 149 HB THR 149 0.946 -5.395 9.202 1073 HG1 THR 149 HG1 THR 149 -0.709 -6.717 9.004 1074 HG21 THR 149 HG21 THR 149 -0.664 -4.048 7.940 1075 HG22 THR 149 HG22 THR 149 0.010 -4.651 6.427 1076 HG23 THR 149 HG23 THR 149 0.993 -3.642 7.487 1077 H ARG 150 H ARG 150 3.419 -5.209 5.634 1078 HA ARG 150 HA ARG 150 5.198 -3.711 7.388 1079 HB2 ARG 150 HB2 ARG 150 5.189 -4.065 4.388 1080 HB3 ARG 150 HB3 ARG 150 6.331 -3.043 5.247 1081 HG2 ARG 150 HG2 ARG 150 7.003 -5.108 6.539 1082 HG3 ARG 150 HG3 ARG 150 6.060 -6.028 5.362 1083 HD2 ARG 150 HD2 ARG 150 7.410 -4.973 3.556 1084 HD3 ARG 150 HD3 ARG 150 8.418 -4.237 4.801 1085 HE ARG 150 HE ARG 150 8.132 -7.155 4.750 1086 HH11 ARG 150 HH11 ARG 150 10.150 -4.305 4.428 1087 HH12 ARG 150 HH12 ARG 150 11.616 -5.220 4.233 1088 HH21 ARG 150 HH21 ARG 150 10.044 -8.342 4.514 1089 HH22 ARG 150 HH22 ARG 150 11.556 -7.517 4.284 1090 H VAL 151 H VAL 151 4.143 -2.008 8.196 1091 HA VAL 151 HA VAL 151 2.483 -0.379 6.446 1092 HB VAL 151 HB VAL 151 1.573 -0.854 8.645 1093 HG11 VAL 151 HG11 VAL 151 4.023 0.509 9.755 1094 HG12 VAL 151 HG12 VAL 151 3.615 -1.202 9.893 1095 HG13 VAL 151 HG13 VAL 151 2.617 0.009 10.697 1096 HG21 VAL 151 HG21 VAL 151 2.403 2.033 8.374 1097 HG22 VAL 151 HG22 VAL 151 1.108 1.436 9.410 1098 HG23 VAL 151 HG23 VAL 151 0.980 1.275 7.659 1099 H SER 152 H SER 152 3.161 1.432 5.520 1100 HA SER 152 HA SER 152 5.720 2.558 6.430 1101 HB2 SER 152 HB2 SER 152 5.808 1.356 4.222 1102 HB3 SER 152 HB3 SER 152 4.675 2.551 3.591 1103 HG SER 152 HG SER 152 6.886 3.614 4.857 1104 H LEU 153 H LEU 153 5.775 4.669 6.855 1105 HA LEU 153 HA LEU 153 3.295 6.189 6.376 1106 HB2 LEU 153 HB2 LEU 153 4.995 5.856 8.755 1107 HB3 LEU 153 HB3 LEU 153 4.496 7.502 8.437 1108 HG LEU 153 HG LEU 153 3.000 6.392 10.020 1109 HD11 LEU 153 HD11 LEU 153 0.883 6.888 8.903 1110 HD12 LEU 153 HD12 LEU 153 1.717 6.929 7.349 1111 HD13 LEU 153 HD13 LEU 153 2.096 8.129 8.585 1112 HD21 LEU 153 HD21 LEU 153 2.414 4.494 7.753 1113 HD22 LEU 153 HD22 LEU 153 1.557 4.558 9.294 1114 HD23 LEU 153 HD23 LEU 153 3.259 4.098 9.248 1115 H MET 154 H MET 154 3.670 8.603 6.469 1116 HA MET 154 HA MET 154 5.516 9.423 4.518 1117 HB2 MET 154 HB2 MET 154 4.117 11.050 6.647 1118 HB3 MET 154 HB3 MET 154 4.922 11.711 5.233 1119 HG2 MET 154 HG2 MET 154 3.326 10.639 3.776 1120 HG3 MET 154 HG3 MET 154 2.550 9.865 5.159 1121 HE1 MET 154 HE1 MET 154 1.256 13.036 7.123 1122 HE2 MET 154 HE2 MET 154 2.818 12.230 7.285 1123 HE3 MET 154 HE3 MET 154 1.344 11.275 7.130 1124 H LEU 155 H LEU 155 7.392 10.715 4.721 1125 HA LEU 155 HA LEU 155 8.901 10.369 7.185 1126 HB2 LEU 155 HB2 LEU 155 9.632 11.660 4.549 1127 HB3 LEU 155 HB3 LEU 155 10.729 11.454 5.901 1128 HG LEU 155 HG LEU 155 9.439 9.216 4.340 1129 HD11 LEU 155 HD11 LEU 155 12.261 10.261 4.355 1130 HD12 LEU 155 HD12 LEU 155 11.105 10.363 3.025 1131 HD13 LEU 155 HD13 LEU 155 11.721 8.792 3.541 1132 HD21 LEU 155 HD21 LEU 155 10.945 7.760 5.601 1133 HD22 LEU 155 HD22 LEU 155 9.819 8.604 6.665 1134 HD23 LEU 155 HD23 LEU 155 11.494 9.144 6.543 1135 H HIS 156 H HIS 156 6.506 12.003 7.003 1136 HA HIS 156 HA HIS 156 7.557 14.710 7.450 1137 HB2 HIS 156 HB2 HIS 156 6.134 14.574 5.476 1138 HB3 HIS 156 HB3 HIS 156 4.862 13.807 6.413 1139 HD1 HIS 156 HD1 HIS 156 6.803 17.091 6.737 1140 HD2 HIS 156 HD2 HIS 156 2.925 15.587 6.906 1141 HE1 HIS 156 HE1 HIS 156 5.316 19.070 7.182 1142 HE2 HIS 156 HE2 HIS 156 2.974 18.166 6.984 1143 H GLU 157 H GLU 157 7.271 15.580 9.362 1144 HA GLU 157 HA GLU 157 6.321 14.326 11.636 1145 HB2 GLU 157 HB2 GLU 157 6.175 16.715 12.529 1146 HB3 GLU 157 HB3 GLU 157 7.728 16.228 11.859 1147 HG2 GLU 157 HG2 GLU 157 7.169 17.350 9.756 1148 HG3 GLU 157 HG3 GLU 157 5.622 17.845 10.434 1149 H SER 158 H SER 158 4.266 13.658 12.107 1150 HA SER 158 HA SER 158 2.052 15.457 11.696 1151 HB2 SER 158 HB2 SER 158 2.146 12.867 10.142 1152 HB3 SER 158 HB3 SER 158 0.750 13.937 10.258 1153 HG SER 158 HG SER 158 2.924 15.334 9.517 1154 H LEU 159 H LEU 159 2.277 11.884 11.964 1155 HA LEU 159 HA LEU 159 -0.115 12.048 13.584 1156 HB2 LEU 159 HB2 LEU 159 1.305 9.677 12.389 1157 HB3 LEU 159 HB3 LEU 159 -0.226 9.605 13.240 1158 HG LEU 159 HG LEU 159 0.276 11.104 10.668 1159 HD11 LEU 159 HD11 LEU 159 -1.169 9.386 9.669 1160 HD12 LEU 159 HD12 LEU 159 -1.188 8.526 11.208 1161 HD13 LEU 159 HD13 LEU 159 0.324 8.710 10.320 1162 HD21 LEU 159 HD21 LEU 159 -2.275 10.638 12.213 1163 HD22 LEU 159 HD22 LEU 159 -2.154 11.408 10.630 1164 HD23 LEU 159 HD23 LEU 159 -1.429 12.177 12.043 1165 H GLU 160 H GLU 160 0.097 12.300 15.685 1166 HA GLU 160 HA GLU 160 1.714 10.314 17.113 1167 HB2 GLU 160 HB2 GLU 160 0.962 13.120 17.880 1168 HB3 GLU 160 HB3 GLU 160 1.344 11.923 19.107 1169 HG2 GLU 160 HG2 GLU 160 3.538 11.590 17.890 1170 HG3 GLU 160 HG3 GLU 160 3.133 13.057 16.993 1171 H HIS 161 H HIS 161 0.711 9.294 18.927 1172 HA HIS 161 HA HIS 161 -2.221 9.644 19.007 1173 HB2 HIS 161 HB2 HIS 161 -0.661 7.107 19.570 1174 HB3 HIS 161 HB3 HIS 161 -2.408 7.285 19.687 1175 HD1 HIS 161 HD1 HIS 161 0.249 6.403 17.376 1176 HD2 HIS 161 HD2 HIS 161 -3.645 7.847 17.089 1177 HE1 HIS 161 HE1 HIS 161 -0.463 5.990 14.990 1178 HE2 HIS 161 HE2 HIS 161 -2.869 6.739 14.883 1179 H HIS 162 H HIS 162 -0.499 7.630 21.261 1180 HA HIS 162 HA HIS 162 -0.356 9.712 23.281 1181 HB2 HIS 162 HB2 HIS 162 -2.174 7.313 23.522 1182 HB3 HIS 162 HB3 HIS 162 -1.570 8.173 24.932 1183 HD1 HIS 162 HD1 HIS 162 -4.200 8.255 22.383 1184 HD2 HIS 162 HD2 HIS 162 -2.491 10.908 25.090 1185 HE1 HIS 162 HE1 HIS 162 -5.815 10.182 22.557 1186 HE2 HIS 162 HE2 HIS 162 -4.817 11.713 24.304 1187 H HIS 163 H HIS 163 1.754 8.612 22.119 1188 HA HIS 163 HA HIS 163 2.766 6.772 24.184 1189 HB2 HIS 163 HB2 HIS 163 3.397 6.752 21.222 1190 HB3 HIS 163 HB3 HIS 163 4.297 5.833 22.424 1191 HD1 HIS 163 HD1 HIS 163 1.639 5.422 20.081 1192 HD2 HIS 163 HD2 HIS 163 2.372 4.062 23.951 1193 HE1 HIS 163 HE1 HIS 163 0.138 3.427 20.407 1194 HE2 HIS 163 HE2 HIS 163 0.432 2.780 22.822 1195 H HIS 164 H HIS 164 3.770 8.202 25.436 1196 HA HIS 164 HA HIS 164 5.069 10.526 24.373 1197 HB2 HIS 164 HB2 HIS 164 3.836 10.513 26.527 1198 HB3 HIS 164 HB3 HIS 164 5.066 9.450 27.200 1199 HD1 HIS 164 HD1 HIS 164 4.517 12.997 26.083 1200 HD2 HIS 164 HD2 HIS 164 7.401 10.707 28.017 1201 HE1 HIS 164 HE1 HIS 164 6.162 14.638 27.030 1202 HE2 HIS 164 HE2 HIS 164 7.994 13.227 28.017 1203 H HIS 165 H HIS 165 6.959 10.425 23.430 1204 HA HIS 165 HA HIS 165 9.282 9.546 24.785 1205 HB2 HIS 165 HB2 HIS 165 9.994 7.764 23.237 1206 HB3 HIS 165 HB3 HIS 165 8.540 7.309 24.110 1207 HD1 HIS 165 HD1 HIS 165 7.034 6.039 22.642 1208 HD2 HIS 165 HD2 HIS 165 9.055 9.008 20.543 1209 HE1 HIS 165 HE1 HIS 165 6.190 5.900 20.272 1210 HE2 HIS 165 HE2 HIS 165 7.336 7.784 19.055 1211 H HIS 166 H HIS 166 11.231 9.703 23.244 1212 HA HIS 166 HA HIS 166 11.029 12.082 21.672 1213 HB2 HIS 166 HB2 HIS 166 13.247 10.038 21.935 1214 HB3 HIS 166 HB3 HIS 166 13.386 11.518 20.994 1215 HD1 HIS 166 HD1 HIS 166 13.487 10.204 24.450 1216 HD2 HIS 166 HD2 HIS 166 13.500 13.900 22.543 1217 HE1 HIS 166 HE1 HIS 166 14.208 11.869 26.199 1218 HE2 HIS 166 HE2 HIS 166 14.328 14.081 24.990 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -5.595 -10.371 22.924 2 H2 MET 1 H2 MET 1 -4.871 -9.938 24.393 3 H3 MET 1 H3 MET 1 -5.698 -11.412 24.262 4 HA MET 1 HA MET 1 -3.355 -11.798 24.231 5 HB2 MET 1 HB2 MET 1 -3.193 -12.990 22.046 6 HB3 MET 1 HB3 MET 1 -4.668 -13.334 22.934 7 HG2 MET 1 HG2 MET 1 -5.880 -11.752 21.495 8 HG3 MET 1 HG3 MET 1 -4.398 -11.471 20.584 9 HE1 MET 1 HE1 MET 1 -6.610 -13.550 18.098 10 HE2 MET 1 HE2 MET 1 -5.701 -12.058 18.340 11 HE3 MET 1 HE3 MET 1 -7.176 -12.353 19.263 12 H ASP 2 H ASP 2 -1.677 -10.502 24.292 13 HA ASP 2 HA ASP 2 -0.659 -9.358 21.854 14 HB2 ASP 2 HB2 ASP 2 -0.445 -7.062 22.749 15 HB3 ASP 2 HB3 ASP 2 -2.129 -7.542 22.574 16 H PHE 3 H PHE 3 1.474 -8.226 22.325 17 HA PHE 3 HA PHE 3 2.886 -9.209 24.661 18 HB2 PHE 3 HB2 PHE 3 2.957 -11.108 23.061 19 HB3 PHE 3 HB3 PHE 3 3.665 -10.050 21.850 20 HD1 PHE 3 HD1 PHE 3 4.265 -11.407 25.256 21 HD2 PHE 3 HD2 PHE 3 5.970 -9.872 21.672 22 HE1 PHE 3 HE1 PHE 3 6.508 -11.996 26.074 23 HE2 PHE 3 HE2 PHE 3 8.218 -10.452 22.487 24 HZ PHE 3 HZ PHE 3 8.489 -11.519 24.693 25 H GLU 4 H GLU 4 5.071 -8.262 24.786 26 HA GLU 4 HA GLU 4 5.180 -5.565 24.030 27 HB2 GLU 4 HB2 GLU 4 7.341 -7.474 24.925 28 HB3 GLU 4 HB3 GLU 4 7.641 -5.769 24.631 29 HG2 GLU 4 HG2 GLU 4 7.345 -6.147 26.982 30 HG3 GLU 4 HG3 GLU 4 5.994 -5.199 26.367 31 H CYS 5 H CYS 5 5.032 -5.082 21.932 32 HA CYS 5 HA CYS 5 6.844 -6.423 20.052 33 HB2 CYS 5 HB2 CYS 5 5.154 -5.441 18.346 34 HB3 CYS 5 HB3 CYS 5 4.678 -6.845 19.297 35 HG CYS 5 HG CYS 5 2.970 -5.569 20.956 36 H GLN 6 H GLN 6 8.484 -5.273 19.332 37 HA GLN 6 HA GLN 6 8.406 -2.370 19.649 38 HB2 GLN 6 HB2 GLN 6 10.780 -4.213 19.325 39 HB3 GLN 6 HB3 GLN 6 10.867 -2.467 19.523 40 HG2 GLN 6 HG2 GLN 6 9.846 -4.466 21.524 41 HG3 GLN 6 HG3 GLN 6 11.328 -3.517 21.626 42 HE21 GLN 6 HE21 GLN 6 11.210 -1.342 22.163 43 HE22 GLN 6 HE22 GLN 6 9.777 -0.617 22.817 44 H PHE 7 H PHE 7 7.915 -1.309 17.940 45 HA PHE 7 HA PHE 7 7.995 -2.518 15.327 46 HB2 PHE 7 HB2 PHE 7 7.204 0.307 16.039 47 HB3 PHE 7 HB3 PHE 7 6.759 -0.596 14.593 48 HD1 PHE 7 HD1 PHE 7 5.637 -2.997 15.252 49 HD2 PHE 7 HD2 PHE 7 5.538 0.570 17.576 50 HE1 PHE 7 HE1 PHE 7 3.610 -3.799 16.391 51 HE2 PHE 7 HE2 PHE 7 3.514 -0.230 18.720 52 HZ PHE 7 HZ PHE 7 2.550 -2.419 18.132 53 H VAL 8 H VAL 8 9.807 -2.559 14.197 54 HA VAL 8 HA VAL 8 11.777 -0.419 14.539 55 HB VAL 8 HB VAL 8 12.074 -3.062 13.101 56 HG11 VAL 8 HG11 VAL 8 14.492 -2.577 13.235 57 HG12 VAL 8 HG12 VAL 8 14.114 -0.983 13.891 58 HG13 VAL 8 HG13 VAL 8 13.618 -1.404 12.252 59 HG21 VAL 8 HG21 VAL 8 11.709 -3.404 15.480 60 HG22 VAL 8 HG22 VAL 8 12.981 -2.244 15.859 61 HG23 VAL 8 HG23 VAL 8 13.382 -3.762 15.056 62 H CYS 9 H CYS 9 11.805 1.179 13.120 63 HA CYS 9 HA CYS 9 10.614 0.815 10.477 64 HB2 CYS 9 HB2 CYS 9 9.956 2.799 11.777 65 HB3 CYS 9 HB3 CYS 9 11.638 3.310 11.859 66 HG CYS 9 HG CYS 9 9.987 4.814 10.008 67 H GLU 10 H GLU 10 11.809 0.657 8.653 68 HA GLU 10 HA GLU 10 14.697 1.174 8.858 69 HB2 GLU 10 HB2 GLU 10 13.415 -1.258 7.593 70 HB3 GLU 10 HB3 GLU 10 15.137 -0.892 7.600 71 HG2 GLU 10 HG2 GLU 10 15.157 -1.049 10.039 72 HG3 GLU 10 HG3 GLU 10 13.433 -1.422 10.027 73 H LEU 11 H LEU 11 15.758 1.560 6.835 74 HA LEU 11 HA LEU 11 14.038 2.978 4.974 75 HB2 LEU 11 HB2 LEU 11 16.253 3.833 5.896 76 HB3 LEU 11 HB3 LEU 11 17.040 2.654 4.872 77 HG LEU 11 HG LEU 11 16.995 5.015 3.997 78 HD11 LEU 11 HD11 LEU 11 15.685 2.926 2.266 79 HD12 LEU 11 HD12 LEU 11 17.418 3.126 2.519 80 HD13 LEU 11 HD13 LEU 11 16.496 4.386 1.697 81 HD21 LEU 11 HD21 LEU 11 14.071 4.404 3.639 82 HD22 LEU 11 HD22 LEU 11 14.920 5.779 2.934 83 HD23 LEU 11 HD23 LEU 11 14.769 5.640 4.686 84 H LYS 12 H LYS 12 13.330 2.143 3.113 85 HA LYS 12 HA LYS 12 14.874 -0.035 1.886 86 HB2 LYS 12 HB2 LYS 12 12.009 -0.036 2.628 87 HB3 LYS 12 HB3 LYS 12 12.386 -0.660 1.028 88 HG2 LYS 12 HG2 LYS 12 12.494 -2.571 2.266 89 HG3 LYS 12 HG3 LYS 12 14.179 -2.055 2.323 90 HD2 LYS 12 HD2 LYS 12 13.639 -0.924 4.508 91 HD3 LYS 12 HD3 LYS 12 12.074 -1.738 4.455 92 HE2 LYS 12 HE2 LYS 12 14.806 -2.989 4.606 93 HE3 LYS 12 HE3 LYS 12 13.516 -3.065 5.805 94 HZ1 LYS 12 HZ1 LYS 12 13.460 -4.299 3.099 95 HZ2 LYS 12 HZ2 LYS 12 12.197 -4.368 4.229 96 HZ3 LYS 12 HZ3 LYS 12 13.676 -5.123 4.564 97 H GLU 13 H GLU 13 14.371 -0.332 -0.430 98 HA GLU 13 HA GLU 13 14.264 2.252 -1.737 99 HB2 GLU 13 HB2 GLU 13 14.671 -0.495 -2.944 100 HB3 GLU 13 HB3 GLU 13 14.883 1.039 -3.774 101 HG2 GLU 13 HG2 GLU 13 17.044 0.399 -3.266 102 HG3 GLU 13 HG3 GLU 13 16.644 1.531 -1.977 103 H LEU 14 H LEU 14 12.636 3.002 -2.951 104 HA LEU 14 HA LEU 14 10.189 1.395 -3.009 105 HB2 LEU 14 HB2 LEU 14 10.609 4.005 -2.296 106 HB3 LEU 14 HB3 LEU 14 10.087 4.176 -3.961 107 HG LEU 14 HG LEU 14 8.217 4.392 -2.387 108 HD11 LEU 14 HD11 LEU 14 7.746 3.562 -4.609 109 HD12 LEU 14 HD12 LEU 14 6.706 2.764 -3.430 110 HD13 LEU 14 HD13 LEU 14 8.100 1.912 -4.093 111 HD21 LEU 14 HD21 LEU 14 9.031 2.966 -0.604 112 HD22 LEU 14 HD22 LEU 14 8.888 1.548 -1.641 113 HD23 LEU 14 HD23 LEU 14 7.440 2.421 -1.137 114 H ALA 15 H ALA 15 9.489 0.518 -4.835 115 HA ALA 15 HA ALA 15 10.878 1.208 -7.328 116 HB1 ALA 15 HB1 ALA 15 10.194 -1.001 -8.121 117 HB2 ALA 15 HB2 ALA 15 9.333 -1.283 -6.608 118 HB3 ALA 15 HB3 ALA 15 11.089 -1.121 -6.607 119 HA PRO 16 HA PRO 16 6.969 2.684 -8.893 120 HB2 PRO 16 HB2 PRO 16 7.987 2.699 -11.570 121 HB3 PRO 16 HB3 PRO 16 7.840 4.063 -10.462 122 HG2 PRO 16 HG2 PRO 16 10.235 2.994 -11.337 123 HG3 PRO 16 HG3 PRO 16 10.033 3.965 -9.869 124 HD2 PRO 16 HD2 PRO 16 10.233 0.994 -10.166 125 HD3 PRO 16 HD3 PRO 16 10.896 2.052 -8.901 126 H VAL 17 H VAL 17 5.913 0.647 -8.486 127 HA VAL 17 HA VAL 17 5.845 -1.224 -10.750 128 HB VAL 17 HB VAL 17 6.420 -2.252 -8.621 129 HG11 VAL 17 HG11 VAL 17 5.420 -0.597 -7.134 130 HG12 VAL 17 HG12 VAL 17 4.913 -2.230 -6.704 131 HG13 VAL 17 HG13 VAL 17 3.810 -1.165 -7.575 132 HG21 VAL 17 HG21 VAL 17 5.094 -3.636 -10.088 133 HG22 VAL 17 HG22 VAL 17 3.604 -2.936 -9.456 134 HG23 VAL 17 HG23 VAL 17 4.620 -3.933 -8.415 135 HA PRO 18 HA PRO 18 1.689 0.192 -11.612 136 HB2 PRO 18 HB2 PRO 18 0.888 -1.838 -13.215 137 HB3 PRO 18 HB3 PRO 18 2.007 -0.581 -13.752 138 HG2 PRO 18 HG2 PRO 18 2.584 -3.370 -12.848 139 HG3 PRO 18 HG3 PRO 18 3.309 -2.444 -14.176 140 HD2 PRO 18 HD2 PRO 18 4.501 -2.778 -11.739 141 HD3 PRO 18 HD3 PRO 18 4.787 -1.378 -12.788 142 H ALA 19 H ALA 19 0.343 0.093 -9.921 143 HA ALA 19 HA ALA 19 -0.591 -2.555 -9.029 144 HB1 ALA 19 HB1 ALA 19 -1.321 -1.413 -6.977 145 HB2 ALA 19 HB2 ALA 19 -0.704 0.111 -7.618 146 HB3 ALA 19 HB3 ALA 19 0.408 -1.211 -7.264 147 H LEU 20 H LEU 20 -2.765 -3.034 -9.050 148 HA LEU 20 HA LEU 20 -4.505 -1.093 -10.409 149 HB2 LEU 20 HB2 LEU 20 -4.324 -4.024 -10.399 150 HB3 LEU 20 HB3 LEU 20 -5.959 -3.417 -10.236 151 HG LEU 20 HG LEU 20 -5.362 -3.907 -12.575 152 HD11 LEU 20 HD11 LEU 20 -5.802 -0.984 -11.975 153 HD12 LEU 20 HD12 LEU 20 -7.050 -2.223 -12.109 154 HD13 LEU 20 HD13 LEU 20 -6.103 -1.766 -13.526 155 HD21 LEU 20 HD21 LEU 20 -3.777 -2.443 -13.744 156 HD22 LEU 20 HD22 LEU 20 -2.988 -3.412 -12.498 157 HD23 LEU 20 HD23 LEU 20 -3.334 -1.707 -12.204 158 H LEU 21 H LEU 21 -6.141 -0.151 -9.344 159 HA LEU 21 HA LEU 21 -7.122 -1.231 -6.863 160 HB2 LEU 21 HB2 LEU 21 -6.416 0.897 -5.616 161 HB3 LEU 21 HB3 LEU 21 -5.215 -0.352 -5.875 162 HG LEU 21 HG LEU 21 -4.526 1.038 -7.945 163 HD11 LEU 21 HD11 LEU 21 -6.026 3.127 -6.373 164 HD12 LEU 21 HD12 LEU 21 -6.412 2.554 -7.997 165 HD13 LEU 21 HD13 LEU 21 -4.920 3.450 -7.709 166 HD21 LEU 21 HD21 LEU 21 -4.008 2.067 -5.161 167 HD22 LEU 21 HD22 LEU 21 -3.019 2.386 -6.586 168 HD23 LEU 21 HD23 LEU 21 -3.150 0.744 -5.954 169 H ILE 22 H ILE 22 -8.630 0.270 -5.775 170 HA ILE 22 HA ILE 22 -9.992 2.084 -7.655 171 HB ILE 22 HB ILE 22 -11.189 0.645 -5.269 172 HG12 ILE 22 HG12 ILE 22 -10.655 -0.920 -7.107 173 HG13 ILE 22 HG13 ILE 22 -12.391 -0.756 -6.860 174 HG21 ILE 22 HG21 ILE 22 -12.499 2.306 -7.418 175 HG22 ILE 22 HG22 ILE 22 -12.257 2.780 -5.738 176 HG23 ILE 22 HG23 ILE 22 -13.338 1.442 -6.126 177 HD11 ILE 22 HD11 ILE 22 -10.765 0.554 -9.026 178 HD12 ILE 22 HD12 ILE 22 -12.497 0.768 -8.773 179 HD13 ILE 22 HD13 ILE 22 -11.860 -0.816 -9.213 180 H ARG 23 H ARG 23 -10.061 4.195 -7.017 181 HA ARG 23 HA ARG 23 -8.801 4.908 -4.521 182 HB2 ARG 23 HB2 ARG 23 -9.980 6.566 -6.749 183 HB3 ARG 23 HB3 ARG 23 -9.323 7.273 -5.279 184 HG2 ARG 23 HG2 ARG 23 -7.156 6.160 -5.793 185 HG3 ARG 23 HG3 ARG 23 -7.846 5.655 -7.338 186 HD2 ARG 23 HD2 ARG 23 -6.496 7.704 -7.537 187 HD3 ARG 23 HD3 ARG 23 -8.183 7.960 -7.981 188 HE ARG 23 HE ARG 23 -7.988 8.611 -5.303 189 HH11 ARG 23 HH11 ARG 23 -6.602 9.747 -8.311 190 HH12 ARG 23 HH12 ARG 23 -6.392 11.378 -7.748 191 HH21 ARG 23 HH21 ARG 23 -7.740 10.760 -4.567 192 HH22 ARG 23 HH22 ARG 23 -7.044 11.950 -5.628 193 H THR 24 H THR 24 -9.952 4.606 -2.765 194 HA THR 24 HA THR 24 -12.781 5.434 -2.748 195 HB THR 24 HB THR 24 -11.418 3.480 -0.876 196 HG1 THR 24 HG1 THR 24 -11.854 3.038 -3.342 197 HG21 THR 24 HG21 THR 24 -13.420 4.511 0.062 198 HG22 THR 24 HG22 THR 24 -13.725 2.816 -0.322 199 HG23 THR 24 HG23 THR 24 -14.335 4.087 -1.382 200 H GLN 25 H GLN 25 -13.453 6.837 -1.112 201 HA GLN 25 HA GLN 25 -11.296 7.900 0.585 202 HB2 GLN 25 HB2 GLN 25 -13.887 9.266 -0.139 203 HB3 GLN 25 HB3 GLN 25 -12.501 9.977 0.681 204 HG2 GLN 25 HG2 GLN 25 -11.159 9.577 -1.366 205 HG3 GLN 25 HG3 GLN 25 -12.628 9.032 -2.172 206 HE21 GLN 25 HE21 GLN 25 -10.895 11.234 -2.854 207 HE22 GLN 25 HE22 GLN 25 -11.884 12.661 -2.827 208 H THR 26 H THR 26 -11.396 7.397 2.663 209 HA THR 26 HA THR 26 -13.908 6.227 3.626 210 HB THR 26 HB THR 26 -11.871 4.770 3.637 211 HG1 THR 26 HG1 THR 26 -13.077 3.901 5.151 212 HG21 THR 26 HG21 THR 26 -10.956 6.668 5.803 213 HG22 THR 26 HG22 THR 26 -10.206 6.463 4.221 214 HG23 THR 26 HG23 THR 26 -10.186 5.136 5.382 215 H ALA 27 H ALA 27 -14.579 6.618 5.767 216 HA ALA 27 HA ALA 27 -13.439 8.869 7.197 217 HB1 ALA 27 HB1 ALA 27 -15.606 10.037 7.352 218 HB2 ALA 27 HB2 ALA 27 -16.298 8.882 6.211 219 HB3 ALA 27 HB3 ALA 27 -15.011 9.973 5.693 220 H MET 28 H MET 28 -14.520 9.102 9.336 221 HA MET 28 HA MET 28 -14.914 8.144 11.353 222 HB2 MET 28 HB2 MET 28 -17.157 7.173 11.590 223 HB3 MET 28 HB3 MET 28 -17.162 8.652 10.646 224 HG2 MET 28 HG2 MET 28 -17.303 7.307 8.589 225 HG3 MET 28 HG3 MET 28 -17.360 5.848 9.572 226 HE1 MET 28 HE1 MET 28 -19.584 5.226 8.179 227 HE2 MET 28 HE2 MET 28 -19.538 6.767 7.321 228 HE3 MET 28 HE3 MET 28 -21.016 6.253 8.135 229 H SER 29 H SER 29 -13.054 6.645 9.937 230 HA SER 29 HA SER 29 -11.884 4.712 10.115 231 HB2 SER 29 HB2 SER 29 -13.767 4.129 12.411 232 HB3 SER 29 HB3 SER 29 -12.184 3.400 12.142 233 HG SER 29 HG SER 29 -12.852 5.943 13.061 234 H GLU 30 H GLU 30 -14.211 4.715 8.336 235 HA GLU 30 HA GLU 30 -15.213 1.987 8.468 236 HB2 GLU 30 HB2 GLU 30 -15.809 4.382 6.782 237 HB3 GLU 30 HB3 GLU 30 -16.270 2.790 6.198 238 HG2 GLU 30 HG2 GLU 30 -17.073 3.830 8.897 239 HG3 GLU 30 HG3 GLU 30 -18.030 4.097 7.440 240 H LEU 31 H LEU 31 -12.713 1.513 8.288 241 HA LEU 31 HA LEU 31 -11.650 1.589 5.621 242 HB2 LEU 31 HB2 LEU 31 -10.738 0.429 8.222 243 HB3 LEU 31 HB3 LEU 31 -9.972 -0.089 6.735 244 HG LEU 31 HG LEU 31 -8.643 1.641 7.737 245 HD11 LEU 31 HD11 LEU 31 -8.740 1.637 5.311 246 HD12 LEU 31 HD12 LEU 31 -8.581 3.284 5.924 247 HD13 LEU 31 HD13 LEU 31 -10.144 2.702 5.350 248 HD21 LEU 31 HD21 LEU 31 -11.122 3.354 7.660 249 HD22 LEU 31 HD22 LEU 31 -9.506 3.909 8.094 250 HD23 LEU 31 HD23 LEU 31 -10.332 2.721 9.104 251 H GLY 32 H GLY 32 -12.601 -1.086 7.784 252 HA2 GLY 32 HA2 GLY 32 -12.146 -3.107 5.870 253 HA3 GLY 32 HA3 GLY 32 -13.094 -3.285 7.338 254 H SER 33 H SER 33 -15.063 -1.316 6.693 255 HA SER 33 HA SER 33 -16.941 -2.898 5.401 256 HB2 SER 33 HB2 SER 33 -16.999 0.116 5.609 257 HB3 SER 33 HB3 SER 33 -18.384 -0.965 5.463 258 HG SER 33 HG SER 33 -17.777 -0.146 7.653 259 H LEU 34 H LEU 34 -14.959 -0.253 4.096 260 HA LEU 34 HA LEU 34 -16.190 -0.343 1.517 261 HB2 LEU 34 HB2 LEU 34 -13.822 1.058 2.679 262 HB3 LEU 34 HB3 LEU 34 -13.991 0.981 0.937 263 HG LEU 34 HG LEU 34 -14.871 3.078 1.754 264 HD11 LEU 34 HD11 LEU 34 -15.973 2.083 -0.170 265 HD12 LEU 34 HD12 LEU 34 -17.121 2.987 0.815 266 HD13 LEU 34 HD13 LEU 34 -17.087 1.226 0.894 267 HD21 LEU 34 HD21 LEU 34 -15.424 2.445 4.031 268 HD22 LEU 34 HD22 LEU 34 -16.734 1.418 3.448 269 HD23 LEU 34 HD23 LEU 34 -16.825 3.166 3.237 270 H PHE 35 H PHE 35 -13.405 -1.860 2.984 271 HA PHE 35 HA PHE 35 -12.089 -2.664 0.624 272 HB2 PHE 35 HB2 PHE 35 -12.051 -3.709 3.447 273 HB3 PHE 35 HB3 PHE 35 -11.110 -4.471 2.173 274 HD1 PHE 35 HD1 PHE 35 -11.574 -0.853 2.090 275 HD2 PHE 35 HD2 PHE 35 -9.059 -4.017 3.425 276 HE1 PHE 35 HE1 PHE 35 -9.759 0.760 2.489 277 HE2 PHE 35 HE2 PHE 35 -7.242 -2.410 3.825 278 HZ PHE 35 HZ PHE 35 -7.593 -0.014 3.362 279 H GLU 36 H GLU 36 -14.620 -4.182 2.545 280 HA GLU 36 HA GLU 36 -14.563 -6.669 1.153 281 HB2 GLU 36 HB2 GLU 36 -16.672 -5.420 2.918 282 HB3 GLU 36 HB3 GLU 36 -16.740 -7.068 2.308 283 HG2 GLU 36 HG2 GLU 36 -14.481 -6.016 3.989 284 HG3 GLU 36 HG3 GLU 36 -15.906 -6.811 4.656 285 H ALA 37 H ALA 37 -15.942 -3.612 0.424 286 HA ALA 37 HA ALA 37 -17.926 -4.785 -1.383 287 HB1 ALA 37 HB1 ALA 37 -18.636 -2.984 0.144 288 HB2 ALA 37 HB2 ALA 37 -18.865 -2.567 -1.554 289 HB3 ALA 37 HB3 ALA 37 -17.508 -1.889 -0.653 290 H GLY 38 H GLY 38 -14.753 -3.822 -1.514 291 HA2 GLY 38 HA2 GLY 38 -14.805 -2.335 -3.966 292 HA3 GLY 38 HA3 GLY 38 -13.379 -2.912 -3.127 293 H TYR 39 H TYR 39 -14.116 -5.727 -3.182 294 HA TYR 39 HA TYR 39 -12.491 -6.144 -5.434 295 HB2 TYR 39 HB2 TYR 39 -12.445 -8.463 -4.863 296 HB3 TYR 39 HB3 TYR 39 -12.400 -7.527 -3.379 297 HD1 TYR 39 HD1 TYR 39 -14.393 -9.796 -5.453 298 HD2 TYR 39 HD2 TYR 39 -14.242 -7.641 -1.790 299 HE1 TYR 39 HE1 TYR 39 -16.262 -11.139 -4.597 300 HE2 TYR 39 HE2 TYR 39 -16.115 -8.981 -0.921 301 HH TYR 39 HH TYR 39 -17.169 -11.832 -2.365 302 H HIS 40 H HIS 40 -15.979 -6.436 -5.122 303 HA HIS 40 HA HIS 40 -16.319 -8.244 -7.270 304 HB2 HIS 40 HB2 HIS 40 -18.630 -7.900 -7.109 305 HB3 HIS 40 HB3 HIS 40 -18.045 -7.639 -5.474 306 HD1 HIS 40 HD1 HIS 40 -19.893 -6.037 -8.210 307 HD2 HIS 40 HD2 HIS 40 -18.039 -4.867 -4.679 308 HE1 HIS 40 HE1 HIS 40 -20.790 -3.741 -7.705 309 HE2 HIS 40 HE2 HIS 40 -19.853 -3.180 -5.424 310 H ASP 41 H ASP 41 -15.893 -4.775 -7.209 311 HA ASP 41 HA ASP 41 -16.789 -4.532 -9.970 312 HB2 ASP 41 HB2 ASP 41 -17.411 -2.764 -8.376 313 HB3 ASP 41 HB3 ASP 41 -15.707 -2.422 -8.094 314 H ILE 42 H ILE 42 -13.821 -4.159 -8.086 315 HA ILE 42 HA ILE 42 -12.191 -3.255 -10.196 316 HB ILE 42 HB ILE 42 -11.550 -2.950 -7.867 317 HG12 ILE 42 HG12 ILE 42 -9.573 -4.698 -9.350 318 HG13 ILE 42 HG13 ILE 42 -9.770 -2.960 -9.559 319 HG21 ILE 42 HG21 ILE 42 -12.418 -5.014 -6.938 320 HG22 ILE 42 HG22 ILE 42 -10.720 -4.811 -6.510 321 HG23 ILE 42 HG23 ILE 42 -11.179 -5.940 -7.786 322 HD11 ILE 42 HD11 ILE 42 -8.920 -4.309 -7.009 323 HD12 ILE 42 HD12 ILE 42 -9.029 -2.572 -7.297 324 HD13 ILE 42 HD13 ILE 42 -7.837 -3.537 -8.168 325 H LEU 43 H LEU 43 -13.162 -6.455 -9.211 326 HA LEU 43 HA LEU 43 -11.081 -7.924 -10.411 327 HB2 LEU 43 HB2 LEU 43 -12.622 -8.821 -8.707 328 HB3 LEU 43 HB3 LEU 43 -13.931 -8.764 -9.870 329 HG LEU 43 HG LEU 43 -12.719 -10.414 -11.270 330 HD11 LEU 43 HD11 LEU 43 -10.452 -9.887 -10.484 331 HD12 LEU 43 HD12 LEU 43 -10.819 -11.608 -10.359 332 HD13 LEU 43 HD13 LEU 43 -10.844 -10.593 -8.915 333 HD21 LEU 43 HD21 LEU 43 -14.438 -11.134 -9.687 334 HD22 LEU 43 HD22 LEU 43 -13.218 -11.282 -8.423 335 HD23 LEU 43 HD23 LEU 43 -13.157 -12.336 -9.835 336 H GLN 44 H GLN 44 -13.905 -6.431 -11.757 337 HA GLN 44 HA GLN 44 -14.355 -8.155 -13.932 338 HB2 GLN 44 HB2 GLN 44 -14.960 -5.200 -13.735 339 HB3 GLN 44 HB3 GLN 44 -15.675 -6.324 -14.884 340 HG2 GLN 44 HG2 GLN 44 -16.714 -7.551 -13.060 341 HG3 GLN 44 HG3 GLN 44 -15.967 -6.463 -11.893 342 HE21 GLN 44 HE21 GLN 44 -16.691 -4.323 -11.763 343 HE22 GLN 44 HE22 GLN 44 -18.254 -3.865 -12.346 344 H LEU 45 H LEU 45 -12.823 -4.928 -14.016 345 HA LEU 45 HA LEU 45 -11.893 -5.190 -16.668 346 HB2 LEU 45 HB2 LEU 45 -12.158 -3.017 -15.719 347 HB3 LEU 45 HB3 LEU 45 -11.076 -3.390 -14.394 348 HG LEU 45 HG LEU 45 -9.174 -3.426 -15.949 349 HD11 LEU 45 HD11 LEU 45 -10.355 -4.138 -17.971 350 HD12 LEU 45 HD12 LEU 45 -9.434 -2.658 -18.242 351 HD13 LEU 45 HD13 LEU 45 -11.183 -2.581 -18.033 352 HD21 LEU 45 HD21 LEU 45 -10.866 -0.942 -16.146 353 HD22 LEU 45 HD22 LEU 45 -9.122 -1.036 -16.400 354 HD23 LEU 45 HD23 LEU 45 -9.801 -1.365 -14.806 355 H LEU 46 H LEU 46 -10.505 -6.013 -13.572 356 HA LEU 46 HA LEU 46 -7.849 -6.458 -14.405 357 HB2 LEU 46 HB2 LEU 46 -8.861 -6.301 -12.034 358 HB3 LEU 46 HB3 LEU 46 -9.238 -7.996 -12.229 359 HG LEU 46 HG LEU 46 -6.828 -8.468 -12.572 360 HD11 LEU 46 HD11 LEU 46 -6.139 -6.279 -13.385 361 HD12 LEU 46 HD12 LEU 46 -5.180 -6.780 -11.994 362 HD13 LEU 46 HD13 LEU 46 -6.458 -5.580 -11.797 363 HD21 LEU 46 HD21 LEU 46 -6.172 -8.169 -10.238 364 HD22 LEU 46 HD22 LEU 46 -7.830 -8.751 -10.382 365 HD23 LEU 46 HD23 LEU 46 -7.521 -7.057 -10.001 366 H ALA 47 H ALA 47 -10.446 -8.799 -13.746 367 HA ALA 47 HA ALA 47 -8.946 -11.015 -14.691 368 HB1 ALA 47 HB1 ALA 47 -11.015 -12.280 -14.447 369 HB2 ALA 47 HB2 ALA 47 -11.917 -10.778 -14.248 370 HB3 ALA 47 HB3 ALA 47 -10.722 -11.256 -13.041 371 H GLY 48 H GLY 48 -11.082 -8.768 -16.279 372 HA2 GLY 48 HA2 GLY 48 -11.674 -10.528 -18.473 373 HA3 GLY 48 HA3 GLY 48 -12.134 -8.842 -18.333 374 H GLN 49 H GLN 49 -9.200 -8.149 -17.850 375 HA GLN 49 HA GLN 49 -8.657 -7.908 -20.715 376 HB2 GLN 49 HB2 GLN 49 -8.804 -5.877 -19.251 377 HB3 GLN 49 HB3 GLN 49 -7.342 -6.418 -18.442 378 HG2 GLN 49 HG2 GLN 49 -6.036 -6.116 -20.382 379 HG3 GLN 49 HG3 GLN 49 -7.463 -5.931 -21.400 380 HE21 GLN 49 HE21 GLN 49 -5.370 -4.395 -19.095 381 HE22 GLN 49 HE22 GLN 49 -5.960 -2.787 -19.328 382 H GLY 50 H GLY 50 -7.670 -9.852 -18.202 383 HA2 GLY 50 HA2 GLY 50 -6.118 -11.628 -18.554 384 HA3 GLY 50 HA3 GLY 50 -5.275 -10.615 -19.718 385 H LYS 51 H LYS 51 -6.118 -10.662 -16.275 386 HA LYS 51 HA LYS 51 -3.889 -8.930 -15.671 387 HB2 LYS 51 HB2 LYS 51 -4.862 -8.589 -13.596 388 HB3 LYS 51 HB3 LYS 51 -6.236 -8.810 -14.660 389 HG2 LYS 51 HG2 LYS 51 -5.089 -10.897 -12.810 390 HG3 LYS 51 HG3 LYS 51 -6.544 -9.948 -12.523 391 HD2 LYS 51 HD2 LYS 51 -7.679 -11.606 -13.482 392 HD3 LYS 51 HD3 LYS 51 -6.956 -11.116 -15.016 393 HE2 LYS 51 HE2 LYS 51 -5.102 -12.637 -14.654 394 HE3 LYS 51 HE3 LYS 51 -5.755 -13.089 -13.084 395 HZ1 LYS 51 HZ1 LYS 51 -7.036 -13.580 -15.719 396 HZ2 LYS 51 HZ2 LYS 51 -7.701 -14.002 -14.216 397 HZ3 LYS 51 HZ3 LYS 51 -6.274 -14.742 -14.750 398 H SER 52 H SER 52 -2.776 -9.395 -13.551 399 HA SER 52 HA SER 52 -2.703 -11.942 -12.408 400 HB2 SER 52 HB2 SER 52 -1.326 -12.490 -14.426 401 HB3 SER 52 HB3 SER 52 -0.205 -11.205 -13.980 402 HG SER 52 HG SER 52 -0.803 -13.219 -12.111 403 HA PRO 53 HA PRO 53 -1.017 -9.034 -9.438 404 HB2 PRO 53 HB2 PRO 53 -0.914 -11.128 -7.462 405 HB3 PRO 53 HB3 PRO 53 -2.110 -9.841 -7.626 406 HG2 PRO 53 HG2 PRO 53 -2.664 -12.495 -8.022 407 HG3 PRO 53 HG3 PRO 53 -3.571 -11.171 -8.779 408 HD2 PRO 53 HD2 PRO 53 -1.359 -12.851 -9.927 409 HD3 PRO 53 HD3 PRO 53 -2.890 -12.340 -10.679 410 H SER 54 H SER 54 0.978 -8.502 -8.600 411 HA SER 54 HA SER 54 3.121 -10.476 -8.988 412 HB2 SER 54 HB2 SER 54 4.630 -8.445 -8.771 413 HB3 SER 54 HB3 SER 54 3.591 -8.470 -10.197 414 HG SER 54 HG SER 54 3.091 -6.545 -9.490 415 H GLY 55 H GLY 55 1.350 -8.736 -6.624 416 HA2 GLY 55 HA2 GLY 55 2.814 -10.075 -4.518 417 HA3 GLY 55 HA3 GLY 55 2.922 -8.321 -4.499 418 HA PRO 56 HA PRO 56 -0.980 -9.853 -2.252 419 HB2 PRO 56 HB2 PRO 56 0.383 -8.662 0.080 420 HB3 PRO 56 HB3 PRO 56 -0.444 -10.215 -0.065 421 HG2 PRO 56 HG2 PRO 56 2.219 -10.081 0.115 422 HG3 PRO 56 HG3 PRO 56 1.422 -11.283 -0.919 423 HD2 PRO 56 HD2 PRO 56 2.716 -8.687 -1.682 424 HD3 PRO 56 HD3 PRO 56 2.816 -10.272 -2.479 425 HA PRO 57 HA PRO 57 -2.753 -5.834 -2.485 426 HB2 PRO 57 HB2 PRO 57 -4.593 -5.907 -0.461 427 HB3 PRO 57 HB3 PRO 57 -4.814 -6.711 -2.018 428 HG2 PRO 57 HG2 PRO 57 -3.899 -7.854 0.592 429 HG3 PRO 57 HG3 PRO 57 -5.025 -8.536 -0.595 430 HD2 PRO 57 HD2 PRO 57 -2.472 -9.356 -0.425 431 HD3 PRO 57 HD3 PRO 57 -3.324 -9.260 -1.980 432 H PHE 58 H PHE 58 -2.740 -3.771 -1.560 433 HA PHE 58 HA PHE 58 -1.569 -3.554 1.117 434 HB2 PHE 58 HB2 PHE 58 -0.010 -1.841 0.404 435 HB3 PHE 58 HB3 PHE 58 0.251 -3.285 -0.564 436 HD1 PHE 58 HD2 PHE 58 -0.382 -3.330 -2.920 437 HD2 PHE 58 HD1 PHE 58 -0.816 0.198 -0.577 438 HE1 PHE 58 HE2 PHE 58 -0.615 -1.995 -4.972 439 HE2 PHE 58 HE1 PHE 58 -1.049 1.536 -2.628 440 HZ PHE 58 HZ PHE 58 -0.950 0.437 -4.830 441 H ALA 59 H ALA 59 -2.234 -1.752 2.276 442 HA ALA 59 HA ALA 59 -4.461 -0.279 1.059 443 HB1 ALA 59 HB1 ALA 59 -5.076 0.360 3.327 444 HB2 ALA 59 HB2 ALA 59 -3.629 -0.426 3.958 445 HB3 ALA 59 HB3 ALA 59 -4.901 -1.390 3.212 446 H ARG 60 H ARG 60 -3.768 1.499 0.028 447 HA ARG 60 HA ARG 60 -1.595 3.044 1.203 448 HB2 ARG 60 HB2 ARG 60 -1.537 2.771 -1.221 449 HB3 ARG 60 HB3 ARG 60 -3.135 3.501 -1.359 450 HG2 ARG 60 HG2 ARG 60 -2.199 5.572 -0.332 451 HG3 ARG 60 HG3 ARG 60 -0.603 4.833 -0.425 452 HD2 ARG 60 HD2 ARG 60 -0.740 4.730 -2.820 453 HD3 ARG 60 HD3 ARG 60 -2.411 5.298 -2.786 454 HE ARG 60 HE ARG 60 -0.598 7.127 -1.526 455 HH11 ARG 60 HH11 ARG 60 -2.018 6.128 -4.576 456 HH12 ARG 60 HH12 ARG 60 -1.621 7.622 -5.376 457 HH21 ARG 60 HH21 ARG 60 -0.128 9.080 -2.527 458 HH22 ARG 60 HH22 ARG 60 -0.541 9.319 -4.202 459 H TYR 61 H TYR 61 -1.856 4.759 2.371 460 HA TYR 61 HA TYR 61 -4.515 5.977 2.590 461 HB2 TYR 61 HB2 TYR 61 -2.125 6.161 4.445 462 HB3 TYR 61 HB3 TYR 61 -3.698 6.897 4.727 463 HD1 TYR 61 HD2 TYR 61 -1.986 3.636 4.333 464 HD2 TYR 61 HD1 TYR 61 -5.421 5.678 5.780 465 HE1 TYR 61 HE2 TYR 61 -2.723 1.584 5.452 466 HE2 TYR 61 HE1 TYR 61 -6.170 3.624 6.911 467 HH TYR 61 HH TYR 61 -4.124 0.868 7.236 468 H PHE 62 H PHE 62 -4.706 7.642 1.267 469 HA PHE 62 HA PHE 62 -2.359 9.298 0.676 470 HB2 PHE 62 HB2 PHE 62 -3.460 8.413 -1.294 471 HB3 PHE 62 HB3 PHE 62 -5.018 9.014 -0.743 472 HD1 PHE 62 HD2 PHE 62 -1.716 10.013 -2.037 473 HD2 PHE 62 HD1 PHE 62 -5.686 11.248 -1.148 474 HE1 PHE 62 HE2 PHE 62 -1.333 12.110 -3.263 475 HE2 PHE 62 HE1 PHE 62 -5.312 13.343 -2.378 476 HZ PHE 62 HZ PHE 62 -3.130 13.776 -3.435 477 H GLY 63 H GLY 63 -2.176 11.224 1.537 478 HA2 GLY 63 HA2 GLY 63 -4.553 12.739 2.300 479 HA3 GLY 63 HA3 GLY 63 -3.480 12.263 3.605 480 H MET 64 H MET 64 -1.623 12.770 0.857 481 HA MET 64 HA MET 64 -0.365 15.051 1.902 482 HB2 MET 64 HB2 MET 64 -0.348 13.921 -0.893 483 HB3 MET 64 HB3 MET 64 0.621 15.307 -0.423 484 HG2 MET 64 HG2 MET 64 1.591 13.799 1.393 485 HG3 MET 64 HG3 MET 64 0.855 12.466 0.503 486 HE1 MET 64 HE1 MET 64 4.132 15.256 -1.152 487 HE2 MET 64 HE2 MET 64 3.490 15.326 0.490 488 HE3 MET 64 HE3 MET 64 2.475 15.797 -0.874 489 H SER 65 H SER 65 -2.858 14.765 -0.596 490 HA SER 65 HA SER 65 -3.683 17.487 -0.047 491 HB2 SER 65 HB2 SER 65 -2.910 16.644 -2.853 492 HB3 SER 65 HB3 SER 65 -3.627 18.190 -2.394 493 HG SER 65 HG SER 65 -1.540 17.898 -0.848 494 H ALA 66 H ALA 66 -5.616 16.658 0.697 495 HA ALA 66 HA ALA 66 -7.523 15.837 -1.303 496 HB1 ALA 66 HB1 ALA 66 -8.117 13.720 -0.234 497 HB2 ALA 66 HB2 ALA 66 -6.803 13.925 0.923 498 HB3 ALA 66 HB3 ALA 66 -6.443 13.697 -0.789 499 H GLY 67 H GLY 67 -9.714 15.444 -0.246 500 HA2 GLY 67 HA2 GLY 67 -10.052 17.283 2.032 501 HA3 GLY 67 HA3 GLY 67 -11.328 16.746 0.939 502 H THR 68 H THR 68 -11.944 14.467 1.041 503 HA THR 68 HA THR 68 -11.966 13.322 3.661 504 HB THR 68 HB THR 68 -12.497 11.776 1.123 505 HG1 THR 68 HG1 THR 68 -14.471 12.722 0.930 506 HG21 THR 68 HG21 THR 68 -13.761 11.718 3.867 507 HG22 THR 68 HG22 THR 68 -12.580 10.561 3.249 508 HG23 THR 68 HG23 THR 68 -14.181 10.666 2.516 509 H PHE 69 H PHE 69 -10.928 11.166 4.128 510 HA PHE 69 HA PHE 69 -8.184 11.292 3.263 511 HB2 PHE 69 HB2 PHE 69 -9.119 10.677 5.618 512 HB3 PHE 69 HB3 PHE 69 -9.305 9.066 4.938 513 HD1 PHE 69 HD1 PHE 69 -6.849 11.736 5.626 514 HD2 PHE 69 HD2 PHE 69 -7.468 7.619 4.760 515 HE1 PHE 69 HE1 PHE 69 -4.483 11.283 6.123 516 HE2 PHE 69 HE2 PHE 69 -5.107 7.157 5.256 517 HZ PHE 69 HZ PHE 69 -3.609 8.987 5.939 518 H GLU 70 H GLU 70 -7.270 10.135 1.683 519 HA GLU 70 HA GLU 70 -9.101 8.521 0.072 520 HB2 GLU 70 HB2 GLU 70 -7.700 10.411 -0.868 521 HB3 GLU 70 HB3 GLU 70 -6.288 9.407 -0.588 522 HG2 GLU 70 HG2 GLU 70 -6.699 8.991 -2.792 523 HG3 GLU 70 HG3 GLU 70 -7.586 7.670 -2.032 524 H VAL 71 H VAL 71 -8.871 6.354 -0.248 525 HA VAL 71 HA VAL 71 -6.431 5.084 0.769 526 HB VAL 71 HB VAL 71 -7.718 3.220 1.714 527 HG11 VAL 71 HG11 VAL 71 -7.018 5.003 3.190 528 HG12 VAL 71 HG12 VAL 71 -8.598 4.397 3.687 529 HG13 VAL 71 HG13 VAL 71 -8.476 5.923 2.812 530 HG21 VAL 71 HG21 VAL 71 -10.158 4.910 1.184 531 HG22 VAL 71 HG22 VAL 71 -10.117 3.389 2.075 532 HG23 VAL 71 HG23 VAL 71 -9.743 3.411 0.352 533 H GLU 72 H GLU 72 -5.535 3.729 -0.583 534 HA GLU 72 HA GLU 72 -7.158 2.659 -2.793 535 HB2 GLU 72 HB2 GLU 72 -4.179 3.201 -2.768 536 HB3 GLU 72 HB3 GLU 72 -5.102 2.576 -4.129 537 HG2 GLU 72 HG2 GLU 72 -6.414 4.680 -4.144 538 HG3 GLU 72 HG3 GLU 72 -5.367 5.299 -2.869 539 H PHE 73 H PHE 73 -7.802 0.808 -1.885 540 HA PHE 73 HA PHE 73 -6.114 -0.851 -0.280 541 HB2 PHE 73 HB2 PHE 73 -8.071 -2.353 -0.185 542 HB3 PHE 73 HB3 PHE 73 -8.462 -0.694 0.248 543 HD1 PHE 73 HD1 PHE 73 -9.814 0.690 -1.238 544 HD2 PHE 73 HD2 PHE 73 -8.979 -3.381 -2.157 545 HE1 PHE 73 HE1 PHE 73 -11.631 0.691 -2.893 546 HE2 PHE 73 HE2 PHE 73 -10.791 -3.382 -3.820 547 HZ PHE 73 HZ PHE 73 -12.120 -1.344 -4.188 548 H GLY 74 H GLY 74 -6.061 -0.477 -3.509 549 HA2 GLY 74 HA2 GLY 74 -6.402 -3.097 -4.528 550 HA3 GLY 74 HA3 GLY 74 -5.600 -1.773 -5.347 551 H PHE 75 H PHE 75 -4.273 -3.600 -6.133 552 HA PHE 75 HA PHE 75 -1.985 -4.023 -4.379 553 HB2 PHE 75 HB2 PHE 75 -1.988 -6.494 -4.933 554 HB3 PHE 75 HB3 PHE 75 -3.236 -5.965 -3.812 555 HD1 PHE 75 HD1 PHE 75 -2.557 -7.186 -7.204 556 HD2 PHE 75 HD2 PHE 75 -5.556 -6.047 -4.404 557 HE1 PHE 75 HE1 PHE 75 -4.278 -8.227 -8.622 558 HE2 PHE 75 HE2 PHE 75 -7.277 -7.087 -5.818 559 HZ PHE 75 HZ PHE 75 -6.637 -8.176 -7.930 560 HA PRO 76 HA PRO 76 0.312 -3.586 -8.103 561 HB2 PRO 76 HB2 PRO 76 2.470 -5.172 -7.598 562 HB3 PRO 76 HB3 PRO 76 2.236 -3.586 -6.856 563 HG2 PRO 76 HG2 PRO 76 1.701 -6.301 -5.726 564 HG3 PRO 76 HG3 PRO 76 2.416 -4.880 -4.941 565 HD2 PRO 76 HD2 PRO 76 -0.166 -5.606 -4.576 566 HD3 PRO 76 HD3 PRO 76 0.369 -3.915 -4.537 567 H VAL 77 H VAL 77 0.728 -4.598 -10.064 568 HA VAL 77 HA VAL 77 -0.299 -7.353 -10.225 569 HB VAL 77 HB VAL 77 -1.098 -6.884 -12.471 570 HG11 VAL 77 HG11 VAL 77 -2.903 -5.314 -11.936 571 HG12 VAL 77 HG12 VAL 77 -2.035 -4.825 -10.480 572 HG13 VAL 77 HG13 VAL 77 -2.628 -6.478 -10.641 573 HG21 VAL 77 HG21 VAL 77 -1.057 -4.614 -13.403 574 HG22 VAL 77 HG22 VAL 77 0.571 -5.249 -13.159 575 HG23 VAL 77 HG23 VAL 77 -0.095 -4.071 -12.029 576 H GLU 78 H GLU 78 0.474 -8.501 -12.221 577 HA GLU 78 HA GLU 78 3.124 -9.111 -11.905 578 HB2 GLU 78 HB2 GLU 78 1.105 -10.223 -13.233 579 HB3 GLU 78 HB3 GLU 78 1.911 -9.477 -14.603 580 HG2 GLU 78 HG2 GLU 78 3.278 -11.327 -12.670 581 HG3 GLU 78 HG3 GLU 78 2.520 -11.856 -14.170 582 H GLY 79 H GLY 79 1.773 -7.201 -14.617 583 HA2 GLY 79 HA2 GLY 79 3.700 -5.206 -14.543 584 HA3 GLY 79 HA3 GLY 79 4.315 -6.453 -15.618 585 H GLY 80 H GLY 80 2.130 -7.293 -16.962 586 HA2 GLY 80 HA2 GLY 80 1.591 -4.917 -18.581 587 HA3 GLY 80 HA3 GLY 80 1.402 -6.585 -19.096 588 H VAL 81 H VAL 81 0.103 -4.799 -16.308 589 HA VAL 81 HA VAL 81 -2.608 -5.243 -17.372 590 HB VAL 81 HB VAL 81 -2.044 -5.394 -14.422 591 HG11 VAL 81 HG11 VAL 81 -4.329 -4.916 -15.091 592 HG12 VAL 81 HG12 VAL 81 -4.213 -6.507 -14.339 593 HG13 VAL 81 HG13 VAL 81 -4.351 -6.367 -16.093 594 HG21 VAL 81 HG21 VAL 81 -2.161 -7.717 -16.341 595 HG22 VAL 81 HG22 VAL 81 -2.192 -7.853 -14.583 596 HG23 VAL 81 HG23 VAL 81 -0.765 -7.205 -15.393 597 H GLU 82 H GLU 82 -4.107 -3.615 -16.815 598 HA GLU 82 HA GLU 82 -3.195 -1.250 -15.438 599 HB2 GLU 82 HB2 GLU 82 -3.599 0.200 -17.458 600 HB3 GLU 82 HB3 GLU 82 -2.162 -0.807 -17.542 601 HG2 GLU 82 HG2 GLU 82 -3.445 -2.432 -18.909 602 HG3 GLU 82 HG3 GLU 82 -4.794 -1.295 -18.911 603 H GLY 83 H GLY 83 -5.084 0.551 -16.464 604 HA2 GLY 83 HA2 GLY 83 -7.666 -0.738 -16.104 605 HA3 GLY 83 HA3 GLY 83 -7.155 0.351 -14.824 606 H SER 84 H SER 84 -9.402 1.091 -15.853 607 HA SER 84 HA SER 84 -8.813 3.463 -17.377 608 HB2 SER 84 HB2 SER 84 -9.055 1.737 -19.143 609 HB3 SER 84 HB3 SER 84 -10.674 1.384 -18.543 610 HG SER 84 HG SER 84 -9.731 3.617 -19.940 611 H GLY 85 H GLY 85 -11.771 1.534 -16.928 612 HA2 GLY 85 HA2 GLY 85 -13.140 3.938 -16.011 613 HA3 GLY 85 HA3 GLY 85 -13.890 2.409 -16.434 614 H ARG 86 H ARG 86 -12.669 4.377 -13.954 615 HA ARG 86 HA ARG 86 -12.817 4.346 -11.707 616 HB2 ARG 86 HB2 ARG 86 -15.086 3.527 -11.944 617 HB3 ARG 86 HB3 ARG 86 -14.505 1.874 -12.111 618 HG2 ARG 86 HG2 ARG 86 -13.912 1.724 -9.869 619 HG3 ARG 86 HG3 ARG 86 -13.883 3.477 -9.663 620 HD2 ARG 86 HD2 ARG 86 -15.827 2.519 -8.576 621 HD3 ARG 86 HD3 ARG 86 -16.307 3.545 -9.922 622 HE ARG 86 HE ARG 86 -16.166 0.614 -10.224 623 HH11 ARG 86 HH11 ARG 86 -17.914 3.651 -10.409 624 HH12 ARG 86 HH12 ARG 86 -19.352 2.939 -11.074 625 HH21 ARG 86 HH21 ARG 86 -18.061 -0.338 -11.084 626 HH22 ARG 86 HH22 ARG 86 -19.436 0.667 -11.472 627 H VAL 87 H VAL 87 -12.378 0.978 -12.807 628 HA VAL 87 HA VAL 87 -10.458 0.351 -10.796 629 HB VAL 87 HB VAL 87 -10.765 -0.969 -13.505 630 HG11 VAL 87 HG11 VAL 87 -8.728 -1.581 -12.323 631 HG12 VAL 87 HG12 VAL 87 -9.851 -2.940 -12.358 632 HG13 VAL 87 HG13 VAL 87 -9.665 -1.987 -10.886 633 HG21 VAL 87 HG21 VAL 87 -12.928 -0.914 -12.397 634 HG22 VAL 87 HG22 VAL 87 -12.212 -1.580 -10.929 635 HG23 VAL 87 HG23 VAL 87 -12.280 -2.555 -12.397 636 H VAL 88 H VAL 88 -8.656 1.578 -10.687 637 HA VAL 88 HA VAL 88 -7.403 2.325 -13.251 638 HB VAL 88 HB VAL 88 -6.556 4.368 -12.119 639 HG11 VAL 88 HG11 VAL 88 -8.501 4.507 -13.544 640 HG12 VAL 88 HG12 VAL 88 -8.699 5.587 -12.163 641 HG13 VAL 88 HG13 VAL 88 -9.553 4.044 -12.205 642 HG21 VAL 88 HG21 VAL 88 -7.615 5.102 -10.026 643 HG22 VAL 88 HG22 VAL 88 -6.677 3.626 -9.804 644 HG23 VAL 88 HG23 VAL 88 -8.435 3.545 -9.902 645 H THR 89 H THR 89 -5.060 2.861 -13.033 646 HA THR 89 HA THR 89 -3.821 1.075 -11.063 647 HB THR 89 HB THR 89 -3.406 0.020 -13.104 648 HG1 THR 89 HG1 THR 89 -1.493 0.227 -11.936 649 HG21 THR 89 HG21 THR 89 -4.135 1.799 -14.610 650 HG22 THR 89 HG22 THR 89 -2.581 1.143 -15.124 651 HG23 THR 89 HG23 THR 89 -2.649 2.693 -14.284 652 H GLY 90 H GLY 90 -1.817 1.676 -10.266 653 HA2 GLY 90 HA2 GLY 90 -1.024 4.472 -10.656 654 HA3 GLY 90 HA3 GLY 90 -1.439 3.943 -9.029 655 H LEU 91 H LEU 91 1.110 4.864 -10.315 656 HA LEU 91 HA LEU 91 2.741 2.558 -9.506 657 HB2 LEU 91 HB2 LEU 91 3.269 4.721 -11.524 658 HB3 LEU 91 HB3 LEU 91 4.588 3.826 -10.797 659 HG LEU 91 HG LEU 91 3.436 1.717 -11.657 660 HD11 LEU 91 HD11 LEU 91 1.251 2.696 -12.109 661 HD12 LEU 91 HD12 LEU 91 1.953 1.988 -13.563 662 HD13 LEU 91 HD13 LEU 91 1.968 3.738 -13.339 663 HD21 LEU 91 HD21 LEU 91 5.458 2.583 -12.652 664 HD22 LEU 91 HD22 LEU 91 4.527 3.735 -13.610 665 HD23 LEU 91 HD23 LEU 91 4.366 2.004 -13.911 666 H THR 92 H THR 92 4.169 2.825 -7.909 667 HA THR 92 HA THR 92 3.952 5.187 -6.294 668 HB THR 92 HB THR 92 5.795 3.792 -4.993 669 HG1 THR 92 HG1 THR 92 6.236 2.081 -6.220 670 HG21 THR 92 HG21 THR 92 3.509 4.240 -4.203 671 HG22 THR 92 HG22 THR 92 4.007 2.586 -3.850 672 HG23 THR 92 HG23 THR 92 2.912 2.907 -5.195 673 HA PRO 93 HA PRO 93 7.439 7.380 -7.858 674 HB2 PRO 93 HB2 PRO 93 8.229 8.679 -5.583 675 HB3 PRO 93 HB3 PRO 93 6.850 9.176 -6.569 676 HG2 PRO 93 HG2 PRO 93 6.896 7.580 -4.041 677 HG3 PRO 93 HG3 PRO 93 5.780 8.868 -4.534 678 HD2 PRO 93 HD2 PRO 93 5.116 6.257 -4.689 679 HD3 PRO 93 HD3 PRO 93 4.535 7.450 -5.870 680 H SER 94 H SER 94 9.513 6.891 -8.189 681 HA SER 94 HA SER 94 10.706 4.769 -6.679 682 HB2 SER 94 HB2 SER 94 12.637 5.239 -8.334 683 HB3 SER 94 HB3 SER 94 11.112 4.643 -8.991 684 HG SER 94 HG SER 94 11.500 6.341 -10.260 685 H GLY 95 H GLY 95 12.552 4.848 -5.434 686 HA2 GLY 95 HA2 GLY 95 14.479 6.574 -4.984 687 HA3 GLY 95 HA3 GLY 95 13.138 7.462 -4.273 688 H LYS 96 H LYS 96 13.955 7.379 -2.188 689 HA LYS 96 HA LYS 96 14.038 4.683 -1.002 690 HB2 LYS 96 HB2 LYS 96 15.383 7.211 -0.029 691 HB3 LYS 96 HB3 LYS 96 15.448 5.649 0.773 692 HG2 LYS 96 HG2 LYS 96 16.563 6.299 -1.949 693 HG3 LYS 96 HG3 LYS 96 17.485 6.051 -0.464 694 HD2 LYS 96 HD2 LYS 96 16.663 3.742 -0.353 695 HD3 LYS 96 HD3 LYS 96 15.760 3.993 -1.848 696 HE2 LYS 96 HE2 LYS 96 17.809 2.855 -2.369 697 HE3 LYS 96 HE3 LYS 96 17.904 4.501 -2.994 698 HZ1 LYS 96 HZ1 LYS 96 19.961 3.963 -1.941 699 HZ2 LYS 96 HZ2 LYS 96 19.181 3.447 -0.528 700 HZ3 LYS 96 HZ3 LYS 96 19.163 5.089 -0.954 701 H ALA 97 H ALA 97 12.738 4.214 0.694 702 HA ALA 97 HA ALA 97 11.151 6.382 1.864 703 HB1 ALA 97 HB1 ALA 97 9.078 5.144 1.569 704 HB2 ALA 97 HB2 ALA 97 9.945 3.865 0.718 705 HB3 ALA 97 HB3 ALA 97 9.827 5.475 0.007 706 H ALA 98 H ALA 98 10.267 5.885 3.912 707 HA ALA 98 HA ALA 98 11.779 3.879 5.354 708 HB1 ALA 98 HB1 ALA 98 10.766 4.858 7.355 709 HB2 ALA 98 HB2 ALA 98 9.758 5.889 6.340 710 HB3 ALA 98 HB3 ALA 98 11.510 6.094 6.340 711 H SER 99 H SER 99 11.020 2.006 6.092 712 HA SER 99 HA SER 99 8.168 1.393 5.772 713 HB2 SER 99 HB2 SER 99 9.523 0.678 3.749 714 HB3 SER 99 HB3 SER 99 10.391 -0.426 4.814 715 HG SER 99 HG SER 99 7.656 -0.443 4.087 716 H SER 100 H SER 100 7.383 0.294 7.486 717 HA SER 100 HA SER 100 9.331 -1.001 9.279 718 HB2 SER 100 HB2 SER 100 8.406 1.129 10.213 719 HB3 SER 100 HB3 SER 100 6.795 0.418 10.131 720 HG SER 100 HG SER 100 8.952 -0.759 11.550 721 H LEU 101 H LEU 101 8.965 -3.089 9.657 722 HA LEU 101 HA LEU 101 6.549 -4.294 8.610 723 HB2 LEU 101 HB2 LEU 101 9.057 -5.169 8.550 724 HB3 LEU 101 HB3 LEU 101 8.603 -5.868 10.090 725 HG LEU 101 HG LEU 101 7.094 -6.377 7.524 726 HD11 LEU 101 HD11 LEU 101 9.395 -7.199 7.352 727 HD12 LEU 101 HD12 LEU 101 8.223 -8.515 7.424 728 HD13 LEU 101 HD13 LEU 101 9.175 -8.105 8.851 729 HD21 LEU 101 HD21 LEU 101 5.788 -6.739 9.551 730 HD22 LEU 101 HD22 LEU 101 7.055 -7.787 10.190 731 HD23 LEU 101 HD23 LEU 101 6.154 -8.268 8.752 732 H TYR 102 H TYR 102 4.832 -4.226 9.786 733 HA TYR 102 HA TYR 102 4.833 -3.911 12.635 734 HB2 TYR 102 HB2 TYR 102 3.186 -2.816 11.161 735 HB3 TYR 102 HB3 TYR 102 2.590 -4.388 10.656 736 HD1 TYR 102 HD2 TYR 102 2.915 -2.162 13.605 737 HD2 TYR 102 HD1 TYR 102 0.876 -5.453 11.851 738 HE1 TYR 102 HE2 TYR 102 1.251 -2.084 15.413 739 HE2 TYR 102 HE1 TYR 102 -0.798 -5.383 13.651 740 HH TYR 102 HH TYR 102 -0.933 -4.567 16.015 741 H ILE 103 H ILE 103 5.041 -5.549 14.012 742 HA ILE 103 HA ILE 103 4.032 -8.185 13.195 743 HB ILE 103 HB ILE 103 6.559 -7.985 13.294 744 HG12 ILE 103 HG12 ILE 103 6.839 -10.134 14.545 745 HG13 ILE 103 HG13 ILE 103 5.167 -9.980 15.082 746 HG21 ILE 103 HG21 ILE 103 6.749 -6.560 15.248 747 HG22 ILE 103 HG22 ILE 103 7.621 -8.073 15.492 748 HG23 ILE 103 HG23 ILE 103 6.052 -7.828 16.258 749 HD11 ILE 103 HD11 ILE 103 5.318 -11.493 13.210 750 HD12 ILE 103 HD12 ILE 103 6.107 -10.252 12.237 751 HD13 ILE 103 HD13 ILE 103 4.431 -10.042 12.743 752 H GLY 104 H GLY 104 3.002 -9.416 14.779 753 HA2 GLY 104 HA2 GLY 104 2.400 -9.667 17.160 754 HA3 GLY 104 HA3 GLY 104 2.284 -7.912 17.218 755 HA PRO 105 HA PRO 105 -1.960 -9.164 16.058 756 HB2 PRO 105 HB2 PRO 105 -3.264 -8.352 18.245 757 HB3 PRO 105 HB3 PRO 105 -2.419 -9.904 18.221 758 HG2 PRO 105 HG2 PRO 105 -1.645 -7.345 19.516 759 HG3 PRO 105 HG3 PRO 105 -1.319 -9.007 20.030 760 HD2 PRO 105 HD2 PRO 105 0.443 -7.271 18.657 761 HD3 PRO 105 HD3 PRO 105 0.682 -9.001 18.967 762 H TYR 106 H TYR 106 -3.991 -7.542 16.268 763 HA TYR 106 HA TYR 106 -2.985 -4.906 15.466 764 HB2 TYR 106 HB2 TYR 106 -5.306 -6.537 14.774 765 HB3 TYR 106 HB3 TYR 106 -5.736 -4.873 15.145 766 HD1 TYR 106 HD2 TYR 106 -4.739 -3.020 13.826 767 HD2 TYR 106 HD1 TYR 106 -4.182 -7.098 12.744 768 HE1 TYR 106 HE2 TYR 106 -4.072 -2.317 11.566 769 HE2 TYR 106 HE1 TYR 106 -3.513 -6.408 10.481 770 HH TYR 106 HH TYR 106 -2.770 -3.202 9.654 771 H GLY 107 H GLY 107 -3.293 -3.124 16.650 772 HA2 GLY 107 HA2 GLY 107 -5.404 -2.889 18.579 773 HA3 GLY 107 HA3 GLY 107 -3.830 -3.121 19.327 774 H GLU 108 H GLU 108 -5.624 -1.102 17.071 775 HA GLU 108 HA GLU 108 -5.494 1.069 16.467 776 HB2 GLU 108 HB2 GLU 108 -3.956 1.380 19.052 777 HB3 GLU 108 HB3 GLU 108 -4.576 2.708 18.081 778 HG2 GLU 108 HG2 GLU 108 -6.862 1.855 18.422 779 HG3 GLU 108 HG3 GLU 108 -6.211 0.588 19.459 780 H ILE 109 H ILE 109 -4.371 1.165 14.644 781 HA ILE 109 HA ILE 109 -1.619 0.481 14.451 782 HB ILE 109 HB ILE 109 -3.271 0.244 12.593 783 HG12 ILE 109 HG12 ILE 109 -0.865 1.936 11.881 784 HG13 ILE 109 HG13 ILE 109 -0.799 0.215 12.241 785 HG21 ILE 109 HG21 ILE 109 -2.969 3.236 12.386 786 HG22 ILE 109 HG22 ILE 109 -4.430 2.358 12.836 787 HG23 ILE 109 HG23 ILE 109 -3.778 2.203 11.206 788 HD11 ILE 109 HD11 ILE 109 -0.754 0.622 9.856 789 HD12 ILE 109 HD12 ILE 109 -2.289 1.485 9.962 790 HD13 ILE 109 HD13 ILE 109 -2.222 -0.240 10.320 791 H GLU 110 H GLU 110 -3.169 3.282 15.472 792 HA GLU 110 HA GLU 110 -1.471 5.333 14.659 793 HB2 GLU 110 HB2 GLU 110 -3.564 5.756 15.818 794 HB3 GLU 110 HB3 GLU 110 -2.957 4.968 17.267 795 HG2 GLU 110 HG2 GLU 110 -1.270 6.723 17.505 796 HG3 GLU 110 HG3 GLU 110 -1.899 7.513 16.059 797 H ALA 111 H ALA 111 -1.124 2.912 17.174 798 HA ALA 111 HA ALA 111 1.002 4.054 18.607 799 HB1 ALA 111 HB1 ALA 111 0.344 1.133 18.232 800 HB2 ALA 111 HB2 ALA 111 -0.349 2.200 19.453 801 HB3 ALA 111 HB3 ALA 111 1.371 1.812 19.495 802 H VAL 112 H VAL 112 1.033 1.744 15.892 803 HA VAL 112 HA VAL 112 3.901 1.670 15.833 804 HB VAL 112 HB VAL 112 2.659 -0.291 15.085 805 HG11 VAL 112 HG11 VAL 112 1.678 1.452 12.831 806 HG12 VAL 112 HG12 VAL 112 0.703 0.786 14.142 807 HG13 VAL 112 HG13 VAL 112 1.444 -0.292 12.960 808 HG21 VAL 112 HG21 VAL 112 4.193 0.987 12.822 809 HG22 VAL 112 HG22 VAL 112 3.868 -0.736 13.017 810 HG23 VAL 112 HG23 VAL 112 4.897 0.105 14.177 811 H TYR 113 H TYR 113 1.377 3.452 14.150 812 HA TYR 113 HA TYR 113 2.967 4.500 12.078 813 HB2 TYR 113 HB2 TYR 113 0.501 4.629 12.071 814 HB3 TYR 113 HB3 TYR 113 0.561 5.767 13.412 815 HD1 TYR 113 HD2 TYR 113 1.652 5.317 9.884 816 HD2 TYR 113 HD1 TYR 113 0.746 8.062 13.005 817 HE1 TYR 113 HE2 TYR 113 1.847 7.182 8.296 818 HE2 TYR 113 HE1 TYR 113 0.936 9.936 11.423 819 HH TYR 113 HH TYR 113 2.039 10.421 9.275 820 H ASP 114 H ASP 114 2.414 5.553 15.396 821 HA ASP 114 HA ASP 114 3.769 8.010 15.258 822 HB2 ASP 114 HB2 ASP 114 2.459 7.580 17.197 823 HB3 ASP 114 HB3 ASP 114 3.326 6.087 17.539 824 H ALA 115 H ALA 115 4.988 4.800 16.232 825 HA ALA 115 HA ALA 115 7.670 5.586 16.570 826 HB1 ALA 115 HB1 ALA 115 6.617 2.861 15.816 827 HB2 ALA 115 HB2 ALA 115 6.740 3.490 17.459 828 HB3 ALA 115 HB3 ALA 115 8.200 3.218 16.507 829 H LEU 116 H LEU 116 5.923 4.264 13.811 830 HA LEU 116 HA LEU 116 7.966 4.091 11.941 831 HB2 LEU 116 HB2 LEU 116 5.695 3.231 11.623 832 HB3 LEU 116 HB3 LEU 116 5.060 4.858 11.589 833 HG LEU 116 HG LEU 116 5.257 3.601 9.379 834 HD11 LEU 116 HD11 LEU 116 5.885 5.616 8.144 835 HD12 LEU 116 HD12 LEU 116 6.504 6.327 9.635 836 HD13 LEU 116 HD13 LEU 116 4.784 5.969 9.476 837 HD21 LEU 116 HD21 LEU 116 8.157 4.330 9.743 838 HD22 LEU 116 HD22 LEU 116 7.425 3.741 8.252 839 HD23 LEU 116 HD23 LEU 116 7.488 2.698 9.673 840 H MET 117 H MET 117 5.838 6.837 12.685 841 HA MET 117 HA MET 117 7.073 8.578 10.793 842 HB2 MET 117 HB2 MET 117 4.718 8.781 11.514 843 HB3 MET 117 HB3 MET 117 5.262 9.238 13.120 844 HG2 MET 117 HG2 MET 117 6.263 11.255 12.248 845 HG3 MET 117 HG3 MET 117 5.843 10.779 10.602 846 HE1 MET 117 HE1 MET 117 3.604 10.314 13.825 847 HE2 MET 117 HE2 MET 117 2.726 11.843 13.841 848 HE3 MET 117 HE3 MET 117 4.467 11.824 14.120 849 H LYS 118 H LYS 118 7.597 7.871 14.170 850 HA LYS 118 HA LYS 118 9.016 10.177 14.909 851 HB2 LYS 118 HB2 LYS 118 8.149 8.397 16.455 852 HB3 LYS 118 HB3 LYS 118 9.474 7.370 15.936 853 HG2 LYS 118 HG2 LYS 118 10.121 10.062 17.014 854 HG3 LYS 118 HG3 LYS 118 9.607 8.805 18.139 855 HD2 LYS 118 HD2 LYS 118 11.405 7.357 17.368 856 HD3 LYS 118 HD3 LYS 118 11.897 8.569 16.183 857 HE2 LYS 118 HE2 LYS 118 13.327 8.619 18.168 858 HE3 LYS 118 HE3 LYS 118 12.436 10.126 17.972 859 HZ1 LYS 118 HZ1 LYS 118 10.841 9.335 19.641 860 HZ2 LYS 118 HZ2 LYS 118 12.417 9.431 20.264 861 HZ3 LYS 118 HZ3 LYS 118 11.760 7.922 19.856 862 H TRP 119 H TRP 119 10.175 7.073 13.615 863 HA TRP 119 HA TRP 119 12.908 7.753 13.520 864 HB2 TRP 119 HB2 TRP 119 11.973 5.447 13.292 865 HB3 TRP 119 HB3 TRP 119 11.401 5.876 11.684 866 HD1 TRP 119 HD1 TRP 119 14.607 5.080 13.610 867 HE1 TRP 119 HE1 TRP 119 16.481 4.554 11.920 868 HE3 TRP 119 HE3 TRP 119 12.188 6.340 9.289 869 HZ2 TRP 119 HZ2 TRP 119 16.877 4.667 9.135 870 HZ3 TRP 119 HZ3 TRP 119 13.384 6.098 7.157 871 HH2 TRP 119 HH2 TRP 119 15.682 5.278 7.081 872 H VAL 120 H VAL 120 10.233 8.326 11.362 873 HA VAL 120 HA VAL 120 11.699 9.231 9.118 874 HB VAL 120 HB VAL 120 8.848 9.772 9.972 875 HG11 VAL 120 HG11 VAL 120 9.547 11.513 8.452 876 HG12 VAL 120 HG12 VAL 120 8.452 10.403 7.625 877 HG13 VAL 120 HG13 VAL 120 10.190 10.314 7.331 878 HG21 VAL 120 HG21 VAL 120 10.017 7.824 7.992 879 HG22 VAL 120 HG22 VAL 120 8.296 8.088 8.278 880 HG23 VAL 120 HG23 VAL 120 9.312 7.429 9.560 881 H ASP 121 H ASP 121 10.044 10.969 11.749 882 HA ASP 121 HA ASP 121 10.816 13.563 10.938 883 HB2 ASP 121 HB2 ASP 121 8.987 13.308 12.472 884 HB3 ASP 121 HB3 ASP 121 10.004 12.460 13.632 885 H ASP 122 H ASP 122 12.327 11.157 12.992 886 HA ASP 122 HA ASP 122 14.438 12.639 14.052 887 HB2 ASP 122 HB2 ASP 122 13.905 10.371 14.789 888 HB3 ASP 122 HB3 ASP 122 14.369 9.726 13.218 889 H ASN 123 H ASN 123 13.956 11.352 10.855 890 HA ASN 123 HA ASN 123 16.699 12.027 10.083 891 HB2 ASN 123 HB2 ASN 123 14.533 10.392 8.789 892 HB3 ASN 123 HB3 ASN 123 15.904 10.976 7.849 893 HD21 ASN 123 HD21 ASN 123 14.887 8.899 10.457 894 HD22 ASN 123 HD22 ASN 123 16.347 7.971 10.545 895 H GLY 124 H GLY 124 14.003 13.703 10.457 896 HA2 GLY 124 HA2 GLY 124 13.622 15.890 9.800 897 HA3 GLY 124 HA3 GLY 124 14.915 15.728 8.622 898 H PHE 125 H PHE 125 12.207 13.497 8.744 899 HA PHE 125 HA PHE 125 11.066 14.823 6.387 900 HB2 PHE 125 HB2 PHE 125 11.376 11.878 6.971 901 HB3 PHE 125 HB3 PHE 125 10.352 12.508 5.700 902 HD1 PHE 125 HD2 PHE 125 11.419 13.861 3.848 903 HD2 PHE 125 HD1 PHE 125 13.664 11.567 6.642 904 HE1 PHE 125 HE2 PHE 125 13.344 13.889 2.318 905 HE2 PHE 125 HE1 PHE 125 15.595 11.593 5.117 906 HZ PHE 125 HZ PHE 125 15.438 12.755 2.953 907 H ASP 126 H ASP 126 8.719 13.910 6.056 908 HA ASP 126 HA ASP 126 7.209 13.205 8.354 909 HB2 ASP 126 HB2 ASP 126 7.702 15.533 9.013 910 HB3 ASP 126 HB3 ASP 126 7.041 16.104 7.485 911 H LEU 127 H LEU 127 5.240 12.469 7.731 912 HA LEU 127 HA LEU 127 4.224 13.307 5.108 913 HB2 LEU 127 HB2 LEU 127 4.656 10.540 6.126 914 HB3 LEU 127 HB3 LEU 127 3.228 10.842 5.154 915 HG LEU 127 HG LEU 127 4.921 10.012 3.703 916 HD11 LEU 127 HD11 LEU 127 5.197 11.859 2.126 917 HD12 LEU 127 HD12 LEU 127 4.708 13.000 3.379 918 HD13 LEU 127 HD13 LEU 127 3.561 11.800 2.783 919 HD21 LEU 127 HD21 LEU 127 6.863 10.485 5.115 920 HD22 LEU 127 HD22 LEU 127 6.725 12.201 4.724 921 HD23 LEU 127 HD23 LEU 127 7.110 11.035 3.458 922 H SER 128 H SER 128 2.175 13.910 5.081 923 HA SER 128 HA SER 128 0.714 13.978 7.566 924 HB2 SER 128 HB2 SER 128 -0.103 14.949 4.820 925 HB3 SER 128 HB3 SER 128 -0.837 15.403 6.358 926 HG SER 128 HG SER 128 1.377 16.158 6.915 927 H GLY 129 H GLY 129 0.897 11.397 7.159 928 HA2 GLY 129 HA2 GLY 129 -0.647 9.653 7.401 929 HA3 GLY 129 HA3 GLY 129 -1.859 10.642 6.604 930 H GLU 130 H GLU 130 0.866 10.842 4.759 931 HA GLU 130 HA GLU 130 -0.287 9.135 2.745 932 HB2 GLU 130 HB2 GLU 130 0.787 11.382 2.313 933 HB3 GLU 130 HB3 GLU 130 2.338 10.625 2.643 934 HG2 GLU 130 HG2 GLU 130 2.088 10.698 0.300 935 HG3 GLU 130 HG3 GLU 130 1.842 9.021 0.786 936 H ALA 131 H ALA 131 -0.050 7.013 3.204 937 HA ALA 131 HA ALA 131 2.617 5.879 3.104 938 HB1 ALA 131 HB1 ALA 131 0.900 5.454 5.550 939 HB2 ALA 131 HB2 ALA 131 2.403 6.374 5.492 940 HB3 ALA 131 HB3 ALA 131 2.421 4.634 5.203 941 H TYR 132 H TYR 132 2.583 3.601 2.626 942 HA TYR 132 HA TYR 132 -0.111 2.472 2.301 943 HB2 TYR 132 HB2 TYR 132 0.309 1.615 0.169 944 HB3 TYR 132 HB3 TYR 132 1.010 3.224 0.100 945 HD1 TYR 132 HD1 TYR 132 3.577 3.393 0.467 946 HD2 TYR 132 HD2 TYR 132 1.557 -0.241 -0.428 947 HE1 TYR 132 HE1 TYR 132 5.695 2.409 -0.310 948 HE2 TYR 132 HE2 TYR 132 3.666 -1.233 -1.200 949 HH TYR 132 HH TYR 132 6.688 0.149 -0.593 950 H GLU 133 H GLU 133 -0.377 0.508 3.166 951 HA GLU 133 HA GLU 133 2.051 -0.834 4.154 952 HB2 GLU 133 HB2 GLU 133 0.582 -1.752 5.959 953 HB3 GLU 133 HB3 GLU 133 0.804 -0.011 6.013 954 HG2 GLU 133 HG2 GLU 133 -1.397 0.239 4.884 955 HG3 GLU 133 HG3 GLU 133 -1.612 -1.504 5.029 956 H ILE 134 H ILE 134 2.484 -2.758 3.380 957 HA ILE 134 HA ILE 134 0.574 -4.053 1.613 958 HB ILE 134 HB ILE 134 3.352 -5.018 2.323 959 HG12 ILE 134 HG12 ILE 134 3.787 -4.028 -0.089 960 HG13 ILE 134 HG13 ILE 134 2.446 -2.971 0.336 961 HG21 ILE 134 HG21 ILE 134 1.568 -5.613 -0.029 962 HG22 ILE 134 HG22 ILE 134 1.893 -6.692 1.327 963 HG23 ILE 134 HG23 ILE 134 3.194 -6.250 0.221 964 HD11 ILE 134 HD11 ILE 134 4.577 -1.923 0.822 965 HD12 ILE 134 HD12 ILE 134 5.015 -3.270 1.873 966 HD13 ILE 134 HD13 ILE 134 3.671 -2.215 2.306 967 H TYR 135 H TYR 135 -0.680 -5.707 2.185 968 HA TYR 135 HA TYR 135 -0.204 -7.002 4.767 969 HB2 TYR 135 HB2 TYR 135 -2.587 -7.158 2.909 970 HB3 TYR 135 HB3 TYR 135 -2.471 -7.937 4.483 971 HD1 TYR 135 HD2 TYR 135 -2.075 -6.378 6.513 972 HD2 TYR 135 HD1 TYR 135 -3.484 -5.016 2.739 973 HE1 TYR 135 HE2 TYR 135 -2.982 -4.360 7.586 974 HE2 TYR 135 HE1 TYR 135 -4.390 -2.992 3.801 975 HH TYR 135 HH TYR 135 -3.548 -2.013 6.906 976 H LEU 136 H LEU 136 1.457 -8.407 4.304 977 HA LEU 136 HA LEU 136 1.605 -10.064 2.036 978 HB2 LEU 136 HB2 LEU 136 2.766 -10.481 4.798 979 HB3 LEU 136 HB3 LEU 136 3.170 -11.452 3.397 980 HG LEU 136 HG LEU 136 4.954 -9.945 3.651 981 HD11 LEU 136 HD11 LEU 136 3.098 -8.876 1.539 982 HD12 LEU 136 HD12 LEU 136 4.316 -10.140 1.359 983 HD13 LEU 136 HD13 LEU 136 4.811 -8.475 1.668 984 HD21 LEU 136 HD21 LEU 136 3.960 -8.384 5.206 985 HD22 LEU 136 HD22 LEU 136 2.930 -7.728 3.933 986 HD23 LEU 136 HD23 LEU 136 4.680 -7.511 3.853 987 H ASP 137 H ASP 137 0.040 -10.377 5.116 988 HA ASP 137 HA ASP 137 -1.524 -12.610 4.065 989 HB2 ASP 137 HB2 ASP 137 -0.076 -12.533 6.710 990 HB3 ASP 137 HB3 ASP 137 -1.517 -13.520 6.487 991 H ASN 138 H ASN 138 -3.680 -12.488 4.608 992 HA ASN 138 HA ASN 138 -4.545 -9.855 5.409 993 HB2 ASN 138 HB2 ASN 138 -5.572 -11.273 3.567 994 HB3 ASN 138 HB3 ASN 138 -6.259 -12.284 4.830 995 HD21 ASN 138 HD21 ASN 138 -7.928 -11.456 6.117 996 HD22 ASN 138 HD22 ASN 138 -8.831 -10.064 5.640 997 HA PRO 139 HA PRO 139 -5.233 -10.695 9.732 998 HB2 PRO 139 HB2 PRO 139 -7.469 -8.771 9.491 999 HB3 PRO 139 HB3 PRO 139 -6.052 -8.726 10.546 1000 HG2 PRO 139 HG2 PRO 139 -6.255 -7.091 8.445 1001 HG3 PRO 139 HG3 PRO 139 -4.698 -7.801 8.913 1002 HD2 PRO 139 HD2 PRO 139 -6.551 -8.587 6.697 1003 HD3 PRO 139 HD3 PRO 139 -4.778 -8.499 6.705 1004 H ALA 140 H ALA 140 -6.813 -11.527 11.168 1005 HA ALA 140 HA ALA 140 -8.645 -12.662 11.876 1006 HB1 ALA 140 HB1 ALA 140 -10.730 -12.654 10.655 1007 HB2 ALA 140 HB2 ALA 140 -9.919 -12.039 9.215 1008 HB3 ALA 140 HB3 ALA 140 -10.032 -11.034 10.661 1009 H GLU 141 H GLU 141 -7.414 -13.347 8.678 1010 HA GLU 141 HA GLU 141 -8.118 -16.177 8.950 1011 HB2 GLU 141 HB2 GLU 141 -6.906 -14.615 6.661 1012 HB3 GLU 141 HB3 GLU 141 -7.217 -16.344 6.627 1013 HG2 GLU 141 HG2 GLU 141 -9.281 -14.177 6.929 1014 HG3 GLU 141 HG3 GLU 141 -8.962 -15.120 5.473 1015 H THR 142 H THR 142 -5.823 -14.350 10.161 1016 HA THR 142 HA THR 142 -3.656 -16.267 9.686 1017 HB THR 142 HB THR 142 -2.379 -14.068 10.553 1018 HG1 THR 142 HG1 THR 142 -4.183 -12.868 8.790 1019 HG21 THR 142 HG21 THR 142 -3.187 -14.619 7.701 1020 HG22 THR 142 HG22 THR 142 -1.827 -15.353 8.551 1021 HG23 THR 142 HG23 THR 142 -1.824 -13.623 8.210 1022 H ALA 143 H ALA 143 -1.910 -15.748 11.552 1023 HA ALA 143 HA ALA 143 -3.287 -16.334 14.066 1024 HB1 ALA 143 HB1 ALA 143 -1.111 -17.117 14.847 1025 HB2 ALA 143 HB2 ALA 143 -0.372 -16.589 13.336 1026 HB3 ALA 143 HB3 ALA 143 -1.550 -17.902 13.329 1027 HA PRO 144 HA PRO 144 -1.997 -12.455 15.875 1028 HB2 PRO 144 HB2 PRO 144 -1.768 -13.180 18.473 1029 HB3 PRO 144 HB3 PRO 144 -3.336 -12.977 17.683 1030 HG2 PRO 144 HG2 PRO 144 -1.809 -15.485 18.255 1031 HG3 PRO 144 HG3 PRO 144 -3.546 -15.169 18.425 1032 HD2 PRO 144 HD2 PRO 144 -2.468 -16.495 16.305 1033 HD3 PRO 144 HD3 PRO 144 -3.950 -15.525 16.192 1034 H ASP 145 H ASP 145 -0.191 -11.485 16.799 1035 HA ASP 145 HA ASP 145 1.933 -11.129 17.510 1036 HB2 ASP 145 HB2 ASP 145 1.706 -13.041 19.027 1037 HB3 ASP 145 HB3 ASP 145 2.163 -14.138 17.726 1038 H GLN 146 H GLN 146 1.270 -13.260 14.881 1039 HA GLN 146 HA GLN 146 3.796 -12.411 13.635 1040 HB2 GLN 146 HB2 GLN 146 2.429 -15.098 13.437 1041 HB3 GLN 146 HB3 GLN 146 3.800 -14.608 12.446 1042 HG2 GLN 146 HG2 GLN 146 5.221 -14.453 14.347 1043 HG3 GLN 146 HG3 GLN 146 3.863 -14.655 15.453 1044 HE21 GLN 146 HE21 GLN 146 4.766 -16.415 16.454 1045 HE22 GLN 146 HE22 GLN 146 4.878 -17.972 15.697 1046 H LEU 147 H LEU 147 1.158 -11.199 13.515 1047 HA LEU 147 HA LEU 147 -0.033 -11.690 10.988 1048 HB2 LEU 147 HB2 LEU 147 -1.050 -10.477 12.968 1049 HB3 LEU 147 HB3 LEU 147 -0.044 -9.106 12.557 1050 HG LEU 147 HG LEU 147 -2.512 -9.113 11.808 1051 HD11 LEU 147 HD11 LEU 147 -0.323 -8.510 9.831 1052 HD12 LEU 147 HD12 LEU 147 -0.931 -7.430 11.085 1053 HD13 LEU 147 HD13 LEU 147 -1.977 -7.908 9.748 1054 HD21 LEU 147 HD21 LEU 147 -1.324 -10.907 9.704 1055 HD22 LEU 147 HD22 LEU 147 -2.901 -10.124 9.609 1056 HD23 LEU 147 HD23 LEU 147 -2.590 -11.330 10.858 1057 H ARG 148 H ARG 148 0.281 -10.594 9.002 1058 HA ARG 148 HA ARG 148 3.014 -9.523 8.760 1059 HB2 ARG 148 HB2 ARG 148 1.335 -10.597 6.504 1060 HB3 ARG 148 HB3 ARG 148 3.073 -10.362 6.546 1061 HG2 ARG 148 HG2 ARG 148 1.619 -12.373 8.240 1062 HG3 ARG 148 HG3 ARG 148 2.309 -12.732 6.659 1063 HD2 ARG 148 HD2 ARG 148 4.512 -11.873 7.613 1064 HD3 ARG 148 HD3 ARG 148 3.731 -11.972 9.192 1065 HE ARG 148 HE ARG 148 3.625 -14.364 7.538 1066 HH11 ARG 148 HH11 ARG 148 5.186 -12.688 10.190 1067 HH12 ARG 148 HH12 ARG 148 5.907 -14.133 10.828 1068 HH21 ARG 148 HH21 ARG 148 4.575 -16.243 8.381 1069 HH22 ARG 148 HH22 ARG 148 5.559 -16.142 9.811 1070 H THR 149 H THR 149 2.807 -7.320 8.890 1071 HA THR 149 HA THR 149 1.475 -6.079 6.602 1072 HB THR 149 HB THR 149 1.103 -5.109 9.449 1073 HG1 THR 149 HG1 THR 149 -0.322 -6.786 7.865 1074 HG21 THR 149 HG21 THR 149 -0.350 -3.393 8.453 1075 HG22 THR 149 HG22 THR 149 0.090 -3.962 6.843 1076 HG23 THR 149 HG23 THR 149 1.313 -3.241 7.888 1077 H ARG 150 H ARG 150 2.768 -4.557 5.675 1078 HA ARG 150 HA ARG 150 4.921 -3.449 7.343 1079 HB2 ARG 150 HB2 ARG 150 5.871 -5.171 5.874 1080 HB3 ARG 150 HB3 ARG 150 5.204 -4.346 4.470 1081 HG2 ARG 150 HG2 ARG 150 6.646 -2.493 4.762 1082 HG3 ARG 150 HG3 ARG 150 7.149 -3.051 6.357 1083 HD2 ARG 150 HD2 ARG 150 8.869 -3.464 4.664 1084 HD3 ARG 150 HD3 ARG 150 8.264 -4.962 5.363 1085 HE ARG 150 HE ARG 150 7.370 -5.544 3.321 1086 HH11 ARG 150 HH11 ARG 150 8.475 -2.222 3.217 1087 HH12 ARG 150 HH12 ARG 150 8.435 -2.130 1.478 1088 HH21 ARG 150 HH21 ARG 150 7.333 -5.434 1.037 1089 HH22 ARG 150 HH22 ARG 150 7.793 -3.959 0.247 1090 H VAL 151 H VAL 151 4.473 -1.390 7.595 1091 HA VAL 151 HA VAL 151 3.014 0.060 5.533 1092 HB VAL 151 HB VAL 151 2.218 0.305 7.812 1093 HG11 VAL 151 HG11 VAL 151 4.316 -0.082 9.002 1094 HG12 VAL 151 HG12 VAL 151 3.527 1.399 9.547 1095 HG13 VAL 151 HG13 VAL 151 4.913 1.488 8.460 1096 HG21 VAL 151 HG21 VAL 151 2.164 2.743 7.961 1097 HG22 VAL 151 HG22 VAL 151 1.943 2.193 6.300 1098 HG23 VAL 151 HG23 VAL 151 3.500 2.842 6.813 1099 H SER 152 H SER 152 3.913 1.502 4.195 1100 HA SER 152 HA SER 152 6.627 2.490 4.786 1101 HB2 SER 152 HB2 SER 152 5.756 1.801 1.988 1102 HB3 SER 152 HB3 SER 152 7.391 1.982 2.623 1103 HG SER 152 HG SER 152 5.566 -0.123 3.180 1104 H LEU 153 H LEU 153 6.871 4.673 4.447 1105 HA LEU 153 HA LEU 153 4.537 6.011 3.222 1106 HB2 LEU 153 HB2 LEU 153 4.824 7.891 4.650 1107 HB3 LEU 153 HB3 LEU 153 4.796 6.451 5.644 1108 HG LEU 153 HG LEU 153 7.324 7.909 4.867 1109 HD11 LEU 153 HD11 LEU 153 5.909 9.344 6.226 1110 HD12 LEU 153 HD12 LEU 153 7.290 8.773 7.163 1111 HD13 LEU 153 HD13 LEU 153 5.700 8.049 7.404 1112 HD21 LEU 153 HD21 LEU 153 6.783 5.810 6.964 1113 HD22 LEU 153 HD22 LEU 153 8.328 6.604 6.659 1114 HD23 LEU 153 HD23 LEU 153 7.625 5.542 5.439 1115 H MET 154 H MET 154 4.870 7.893 1.957 1116 HA MET 154 HA MET 154 7.203 7.565 0.281 1117 HB2 MET 154 HB2 MET 154 4.615 9.038 0.069 1118 HB3 MET 154 HB3 MET 154 5.956 9.574 -0.929 1119 HG2 MET 154 HG2 MET 154 4.479 8.061 -2.125 1120 HG3 MET 154 HG3 MET 154 6.099 7.398 -1.968 1121 HE1 MET 154 HE1 MET 154 6.614 5.707 0.279 1122 HE2 MET 154 HE2 MET 154 6.517 5.038 -1.351 1123 HE3 MET 154 HE3 MET 154 5.708 4.222 -0.014 1124 H LEU 155 H LEU 155 8.975 8.378 1.387 1125 HA LEU 155 HA LEU 155 8.967 10.927 2.641 1126 HB2 LEU 155 HB2 LEU 155 11.307 9.308 1.633 1127 HB3 LEU 155 HB3 LEU 155 11.422 10.709 2.680 1128 HG LEU 155 HG LEU 155 10.273 8.007 3.344 1129 HD11 LEU 155 HD11 LEU 155 12.681 8.199 3.526 1130 HD12 LEU 155 HD12 LEU 155 11.951 8.085 5.127 1131 HD13 LEU 155 HD13 LEU 155 12.511 9.644 4.523 1132 HD21 LEU 155 HD21 LEU 155 9.686 8.909 5.532 1133 HD22 LEU 155 HD22 LEU 155 8.782 9.715 4.249 1134 HD23 LEU 155 HD23 LEU 155 10.158 10.523 5.003 1135 H HIS 156 H HIS 156 9.231 9.913 -0.594 1136 HA HIS 156 HA HIS 156 10.359 12.377 -1.596 1137 HB2 HIS 156 HB2 HIS 156 10.653 10.213 -2.799 1138 HB3 HIS 156 HB3 HIS 156 8.915 10.147 -3.061 1139 HD1 HIS 156 HD1 HIS 156 7.942 12.230 -4.558 1140 HD2 HIS 156 HD2 HIS 156 12.027 11.463 -4.767 1141 HE1 HIS 156 HE1 HIS 156 8.733 13.346 -6.663 1142 HE2 HIS 156 HE2 HIS 156 11.147 12.658 -6.891 1143 H GLU 157 H GLU 157 9.147 14.169 -1.387 1144 HA GLU 157 HA GLU 157 6.409 14.176 -0.855 1145 HB2 GLU 157 HB2 GLU 157 6.533 16.636 -1.325 1146 HB3 GLU 157 HB3 GLU 157 7.700 16.044 -0.156 1147 HG2 GLU 157 HG2 GLU 157 9.407 16.020 -1.964 1148 HG3 GLU 157 HG3 GLU 157 8.220 16.777 -3.026 1149 H SER 158 H SER 158 4.875 13.529 -2.099 1150 HA SER 158 HA SER 158 3.391 13.401 -3.790 1151 HB2 SER 158 HB2 SER 158 5.080 15.553 -5.071 1152 HB3 SER 158 HB3 SER 158 3.525 14.994 -5.689 1153 HG SER 158 HG SER 158 2.511 15.817 -3.917 1154 H LEU 159 H LEU 159 3.076 12.277 -5.713 1155 HA LEU 159 HA LEU 159 5.435 10.806 -6.619 1156 HB2 LEU 159 HB2 LEU 159 3.716 9.304 -7.707 1157 HB3 LEU 159 HB3 LEU 159 3.732 9.328 -5.956 1158 HG LEU 159 HG LEU 159 1.791 10.999 -6.131 1159 HD11 LEU 159 HD11 LEU 159 0.438 10.864 -8.146 1160 HD12 LEU 159 HD12 LEU 159 1.660 9.852 -8.916 1161 HD13 LEU 159 HD13 LEU 159 2.031 11.528 -8.507 1162 HD21 LEU 159 HD21 LEU 159 1.447 8.140 -7.010 1163 HD22 LEU 159 HD22 LEU 159 0.162 9.178 -6.393 1164 HD23 LEU 159 HD23 LEU 159 1.512 8.733 -5.350 1165 H GLU 160 H GLU 160 3.489 13.366 -7.535 1166 HA GLU 160 HA GLU 160 3.537 13.119 -10.347 1167 HB2 GLU 160 HB2 GLU 160 3.580 15.702 -8.777 1168 HB3 GLU 160 HB3 GLU 160 2.963 15.455 -10.402 1169 HG2 GLU 160 HG2 GLU 160 1.015 15.528 -9.224 1170 HG3 GLU 160 HG3 GLU 160 1.331 13.795 -9.201 1171 H HIS 161 H HIS 161 5.038 13.796 -11.864 1172 HA HIS 161 HA HIS 161 7.751 13.860 -11.060 1173 HB2 HIS 161 HB2 HIS 161 6.795 13.148 -13.339 1174 HB3 HIS 161 HB3 HIS 161 6.749 14.866 -13.721 1175 HD1 HIS 161 HD1 HIS 161 8.984 11.968 -13.590 1176 HD2 HIS 161 HD2 HIS 161 9.370 16.106 -13.774 1177 HE1 HIS 161 HE1 HIS 161 11.372 12.401 -14.264 1178 HE2 HIS 161 HE2 HIS 161 11.636 14.905 -14.151 1179 H HIS 162 H HIS 162 5.655 16.392 -12.435 1180 HA HIS 162 HA HIS 162 7.413 18.442 -11.329 1181 HB2 HIS 162 HB2 HIS 162 4.952 18.547 -13.065 1182 HB3 HIS 162 HB3 HIS 162 5.573 19.990 -12.276 1183 HD1 HIS 162 HD1 HIS 162 7.865 20.900 -13.111 1184 HD2 HIS 162 HD2 HIS 162 6.369 17.693 -15.292 1185 HE1 HIS 162 HE1 HIS 162 9.184 20.863 -15.254 1186 HE2 HIS 162 HE2 HIS 162 8.085 19.070 -16.647 1187 H HIS 163 H HIS 163 7.027 17.643 -9.148 1188 HA HIS 163 HA HIS 163 4.383 17.904 -8.065 1189 HB2 HIS 163 HB2 HIS 163 5.529 17.438 -5.856 1190 HB3 HIS 163 HB3 HIS 163 5.652 16.178 -7.072 1191 HD1 HIS 163 HD1 HIS 163 7.695 18.618 -5.123 1192 HD2 HIS 163 HD2 HIS 163 8.248 15.721 -8.060 1193 HE1 HIS 163 HE1 HIS 163 10.177 18.204 -5.218 1194 HE2 HIS 163 HE2 HIS 163 10.479 16.372 -6.926 1195 H HIS 164 H HIS 164 3.662 19.894 -8.173 1196 HA HIS 164 HA HIS 164 3.205 21.991 -7.476 1197 HB2 HIS 164 HB2 HIS 164 5.430 21.667 -5.454 1198 HB3 HIS 164 HB3 HIS 164 4.113 22.835 -5.405 1199 HD1 HIS 164 HD1 HIS 164 5.082 19.759 -3.948 1200 HD2 HIS 164 HD2 HIS 164 1.476 21.297 -5.331 1201 HE1 HIS 164 HE1 HIS 164 3.294 18.355 -2.880 1202 HE2 HIS 164 HE2 HIS 164 1.144 19.148 -3.930 1203 H HIS 165 H HIS 165 4.145 24.212 -7.326 1204 HA HIS 165 HA HIS 165 6.693 24.423 -8.792 1205 HB2 HIS 165 HB2 HIS 165 4.118 25.932 -9.254 1206 HB3 HIS 165 HB3 HIS 165 5.671 26.554 -9.801 1207 HD1 HIS 165 HD1 HIS 165 6.139 26.021 -12.167 1208 HD2 HIS 165 HD2 HIS 165 3.748 23.118 -10.378 1209 HE1 HIS 165 HE1 HIS 165 5.632 24.346 -13.973 1210 HE2 HIS 165 HE2 HIS 165 4.070 22.678 -12.913 1211 H HIS 166 H HIS 166 4.329 26.157 -6.796 1212 HA HIS 166 HA HIS 166 6.235 26.930 -4.864 1213 HB2 HIS 166 HB2 HIS 166 6.913 28.507 -6.679 1214 HB3 HIS 166 HB3 HIS 166 5.284 29.176 -6.666 1215 HD1 HIS 166 HD1 HIS 166 8.250 28.776 -4.322 1216 HD2 HIS 166 HD2 HIS 166 4.941 31.232 -4.915 1217 HE1 HIS 166 HE1 HIS 166 8.481 30.645 -2.653 1218 HE2 HIS 166 HE2 HIS 166 6.404 32.048 -2.939 Start of MODEL 14 1 H1 MET 1 H1 MET 1 1.985 6.314 26.494 2 H2 MET 1 H2 MET 1 2.480 5.951 28.076 3 H3 MET 1 H3 MET 1 1.432 4.900 27.252 4 HA MET 1 HA MET 1 3.133 4.377 25.655 5 HB2 MET 1 HB2 MET 1 4.740 6.324 27.313 6 HB3 MET 1 HB3 MET 1 5.499 5.124 26.275 7 HG2 MET 1 HG2 MET 1 5.383 7.256 25.150 8 HG3 MET 1 HG3 MET 1 4.354 6.080 24.336 9 HE1 MET 1 HE1 MET 1 4.567 9.360 26.398 10 HE2 MET 1 HE2 MET 1 3.814 8.298 27.590 11 HE3 MET 1 HE3 MET 1 2.895 9.632 26.895 12 H ASP 2 H ASP 2 3.209 2.326 26.187 13 HA ASP 2 HA ASP 2 3.896 1.612 28.958 14 HB2 ASP 2 HB2 ASP 2 1.785 0.362 27.181 15 HB3 ASP 2 HB3 ASP 2 2.209 -0.185 28.799 16 H PHE 3 H PHE 3 3.344 0.024 25.823 17 HA PHE 3 HA PHE 3 5.172 -2.077 26.272 18 HB2 PHE 3 HB2 PHE 3 4.185 -0.997 23.623 19 HB3 PHE 3 HB3 PHE 3 4.901 -2.580 23.896 20 HD1 PHE 3 HD1 PHE 3 3.648 -4.315 25.087 21 HD2 PHE 3 HD2 PHE 3 1.903 -0.550 24.146 22 HE1 PHE 3 HE1 PHE 3 1.408 -5.250 25.495 23 HE2 PHE 3 HE2 PHE 3 -0.335 -1.479 24.552 24 HZ PHE 3 HZ PHE 3 -0.583 -3.835 25.230 25 H GLU 4 H GLU 4 5.579 1.166 25.256 26 HA GLU 4 HA GLU 4 7.299 2.426 24.521 27 HB2 GLU 4 HB2 GLU 4 8.889 0.005 25.351 28 HB3 GLU 4 HB3 GLU 4 9.639 1.443 24.671 29 HG2 GLU 4 HG2 GLU 4 7.992 1.326 27.187 30 HG3 GLU 4 HG3 GLU 4 9.749 1.455 27.091 31 H CYS 5 H CYS 5 9.260 2.274 22.847 32 HA CYS 5 HA CYS 5 7.944 1.312 20.461 33 HB2 CYS 5 HB2 CYS 5 9.151 3.573 20.745 34 HB3 CYS 5 HB3 CYS 5 10.637 2.655 20.541 35 HG CYS 5 HG CYS 5 8.251 3.400 18.264 36 H GLN 6 H GLN 6 8.141 -0.954 20.988 37 HA GLN 6 HA GLN 6 10.809 -2.118 20.763 38 HB2 GLN 6 HB2 GLN 6 8.182 -3.594 20.949 39 HB3 GLN 6 HB3 GLN 6 9.787 -4.222 21.287 40 HG2 GLN 6 HG2 GLN 6 8.312 -2.161 22.907 41 HG3 GLN 6 HG3 GLN 6 8.530 -3.857 23.327 42 HE21 GLN 6 HE21 GLN 6 9.292 -1.503 24.798 43 HE22 GLN 6 HE22 GLN 6 11.009 -1.602 25.040 44 H PHE 7 H PHE 7 8.707 -0.884 18.701 45 HA PHE 7 HA PHE 7 8.520 -3.044 16.784 46 HB2 PHE 7 HB2 PHE 7 7.578 -0.172 16.579 47 HB3 PHE 7 HB3 PHE 7 7.160 -1.480 15.478 48 HD1 PHE 7 HD1 PHE 7 5.596 -3.205 16.127 49 HD2 PHE 7 HD2 PHE 7 6.593 -0.034 18.783 50 HE1 PHE 7 HE1 PHE 7 3.665 -3.781 17.536 51 HE2 PHE 7 HE2 PHE 7 4.665 -0.606 20.196 52 HZ PHE 7 HZ PHE 7 3.199 -2.482 19.573 53 H VAL 8 H VAL 8 9.813 -3.329 15.093 54 HA VAL 8 HA VAL 8 12.167 -1.757 14.844 55 HB VAL 8 HB VAL 8 12.354 -4.096 14.389 56 HG11 VAL 8 HG11 VAL 8 10.068 -4.557 13.692 57 HG12 VAL 8 HG12 VAL 8 11.224 -5.205 12.530 58 HG13 VAL 8 HG13 VAL 8 10.350 -3.717 12.169 59 HG21 VAL 8 HG21 VAL 8 13.383 -4.099 12.161 60 HG22 VAL 8 HG22 VAL 8 13.836 -2.673 13.097 61 HG23 VAL 8 HG23 VAL 8 12.627 -2.542 11.818 62 H CYS 9 H CYS 9 12.051 0.219 14.103 63 HA CYS 9 HA CYS 9 10.240 0.916 11.946 64 HB2 CYS 9 HB2 CYS 9 11.286 3.239 12.401 65 HB3 CYS 9 HB3 CYS 9 10.224 2.547 13.622 66 HG CYS 9 HG CYS 9 12.014 2.179 15.516 67 H GLU 10 H GLU 10 10.862 0.760 9.897 68 HA GLU 10 HA GLU 10 13.752 0.739 9.334 69 HB2 GLU 10 HB2 GLU 10 11.542 -0.365 7.599 70 HB3 GLU 10 HB3 GLU 10 13.270 -0.585 7.380 71 HG2 GLU 10 HG2 GLU 10 13.311 -1.830 9.534 72 HG3 GLU 10 HG3 GLU 10 11.550 -1.723 9.566 73 H LEU 11 H LEU 11 14.509 1.757 7.444 74 HA LEU 11 HA LEU 11 12.670 3.706 6.228 75 HB2 LEU 11 HB2 LEU 11 14.445 4.854 7.402 76 HB3 LEU 11 HB3 LEU 11 15.663 3.853 6.635 77 HG LEU 11 HG LEU 11 15.076 4.879 4.455 78 HD11 LEU 11 HD11 LEU 11 13.343 6.687 6.130 79 HD12 LEU 11 HD12 LEU 11 12.774 5.503 4.952 80 HD13 LEU 11 HD13 LEU 11 13.710 6.900 4.418 81 HD21 LEU 11 HD21 LEU 11 15.833 6.824 6.625 82 HD22 LEU 11 HD22 LEU 11 16.141 7.023 4.900 83 HD23 LEU 11 HD23 LEU 11 16.930 5.725 5.795 84 H LYS 12 H LYS 12 11.981 2.773 4.406 85 HA LYS 12 HA LYS 12 13.918 1.162 2.887 86 HB2 LYS 12 HB2 LYS 12 10.959 0.761 3.306 87 HB3 LYS 12 HB3 LYS 12 11.858 -0.074 2.047 88 HG2 LYS 12 HG2 LYS 12 12.492 -0.230 4.990 89 HG3 LYS 12 HG3 LYS 12 11.542 -1.422 4.097 90 HD2 LYS 12 HD2 LYS 12 13.429 -1.926 2.677 91 HD3 LYS 12 HD3 LYS 12 14.379 -0.643 3.424 92 HE2 LYS 12 HE2 LYS 12 15.040 -2.808 4.297 93 HE3 LYS 12 HE3 LYS 12 14.295 -1.835 5.562 94 HZ1 LYS 12 HZ1 LYS 12 13.587 -4.213 5.483 95 HZ2 LYS 12 HZ2 LYS 12 12.812 -3.889 4.013 96 HZ3 LYS 12 HZ3 LYS 12 12.316 -3.096 5.432 97 H GLU 13 H GLU 13 13.331 0.931 0.551 98 HA GLU 13 HA GLU 13 12.500 3.551 -0.488 99 HB2 GLU 13 HB2 GLU 13 14.002 3.055 -2.409 100 HB3 GLU 13 HB3 GLU 13 14.852 3.167 -0.874 101 HG2 GLU 13 HG2 GLU 13 14.554 0.589 -0.818 102 HG3 GLU 13 HG3 GLU 13 14.294 0.769 -2.553 103 H LEU 14 H LEU 14 10.901 3.619 -1.963 104 HA LEU 14 HA LEU 14 9.540 1.118 -2.561 105 HB2 LEU 14 HB2 LEU 14 8.773 3.992 -3.089 106 HB3 LEU 14 HB3 LEU 14 7.791 2.619 -3.555 107 HG LEU 14 HG LEU 14 6.815 3.408 -1.583 108 HD11 LEU 14 HD11 LEU 14 7.165 1.639 0.051 109 HD12 LEU 14 HD12 LEU 14 8.656 1.173 -0.764 110 HD13 LEU 14 HD13 LEU 14 7.108 0.995 -1.589 111 HD21 LEU 14 HD21 LEU 14 9.569 3.559 -0.371 112 HD22 LEU 14 HD22 LEU 14 8.059 3.895 0.474 113 HD23 LEU 14 HD23 LEU 14 8.565 4.922 -0.866 114 H ALA 15 H ALA 15 9.323 0.226 -4.551 115 HA ALA 15 HA ALA 15 10.984 1.376 -6.677 116 HB1 ALA 15 HB1 ALA 15 11.537 -0.906 -5.994 117 HB2 ALA 15 HB2 ALA 15 10.956 -0.863 -7.660 118 HB3 ALA 15 HB3 ALA 15 9.891 -1.420 -6.367 119 HA PRO 16 HA PRO 16 7.340 2.424 -8.950 120 HB2 PRO 16 HB2 PRO 16 8.873 2.205 -11.425 121 HB3 PRO 16 HB3 PRO 16 8.223 3.647 -10.644 122 HG2 PRO 16 HG2 PRO 16 10.876 3.118 -10.762 123 HG3 PRO 16 HG3 PRO 16 10.131 4.008 -9.423 124 HD2 PRO 16 HD2 PRO 16 10.986 1.140 -9.553 125 HD3 PRO 16 HD3 PRO 16 11.154 2.308 -8.224 126 H VAL 17 H VAL 17 6.025 0.676 -8.782 127 HA VAL 17 HA VAL 17 6.302 -1.411 -10.843 128 HB VAL 17 HB VAL 17 4.928 -1.572 -8.145 129 HG11 VAL 17 HG11 VAL 17 3.823 -2.991 -9.761 130 HG12 VAL 17 HG12 VAL 17 4.733 -3.975 -8.613 131 HG13 VAL 17 HG13 VAL 17 5.371 -3.695 -10.234 132 HG21 VAL 17 HG21 VAL 17 6.730 -3.145 -7.554 133 HG22 VAL 17 HG22 VAL 17 7.329 -1.517 -7.876 134 HG23 VAL 17 HG23 VAL 17 7.521 -2.783 -9.089 135 HA PRO 18 HA PRO 18 2.365 0.120 -12.364 136 HB2 PRO 18 HB2 PRO 18 2.021 -2.460 -13.691 137 HB3 PRO 18 HB3 PRO 18 2.268 -0.864 -14.404 138 HG2 PRO 18 HG2 PRO 18 4.149 -2.809 -14.487 139 HG3 PRO 18 HG3 PRO 18 4.556 -1.083 -14.424 140 HD2 PRO 18 HD2 PRO 18 4.554 -3.114 -12.222 141 HD3 PRO 18 HD3 PRO 18 5.726 -1.823 -12.562 142 H ALA 19 H ALA 19 0.570 0.171 -11.224 143 HA ALA 19 HA ALA 19 -0.626 -2.344 -10.291 144 HB1 ALA 19 HB1 ALA 19 0.591 -1.395 -8.401 145 HB2 ALA 19 HB2 ALA 19 -1.150 -1.303 -8.131 146 HB3 ALA 19 HB3 ALA 19 -0.254 0.138 -8.613 147 H LEU 20 H LEU 20 -2.909 -2.144 -9.791 148 HA LEU 20 HA LEU 20 -4.257 -0.088 -11.392 149 HB2 LEU 20 HB2 LEU 20 -5.259 -2.644 -10.131 150 HB3 LEU 20 HB3 LEU 20 -6.294 -1.503 -10.965 151 HG LEU 20 HG LEU 20 -4.005 -3.005 -12.240 152 HD11 LEU 20 HD11 LEU 20 -5.832 -4.498 -11.609 153 HD12 LEU 20 HD12 LEU 20 -5.741 -4.303 -13.360 154 HD13 LEU 20 HD13 LEU 20 -6.981 -3.449 -12.441 155 HD21 LEU 20 HD21 LEU 20 -6.149 -1.244 -13.420 156 HD22 LEU 20 HD22 LEU 20 -4.981 -2.191 -14.340 157 HD23 LEU 20 HD23 LEU 20 -4.429 -0.869 -13.313 158 H LEU 21 H LEU 21 -5.142 1.625 -10.427 159 HA LEU 21 HA LEU 21 -5.967 1.364 -7.642 160 HB2 LEU 21 HB2 LEU 21 -4.964 3.539 -7.052 161 HB3 LEU 21 HB3 LEU 21 -3.796 2.294 -7.405 162 HG LEU 21 HG LEU 21 -3.040 4.450 -8.211 163 HD11 LEU 21 HD11 LEU 21 -2.524 3.912 -10.524 164 HD12 LEU 21 HD12 LEU 21 -3.735 2.632 -10.497 165 HD13 LEU 21 HD13 LEU 21 -2.313 2.522 -9.461 166 HD21 LEU 21 HD21 LEU 21 -5.161 5.553 -8.586 167 HD22 LEU 21 HD22 LEU 21 -5.491 4.494 -9.958 168 HD23 LEU 21 HD23 LEU 21 -4.151 5.639 -10.029 169 H ILE 22 H ILE 22 -7.370 3.035 -6.881 170 HA ILE 22 HA ILE 22 -8.541 4.850 -8.791 171 HB ILE 22 HB ILE 22 -9.815 2.706 -9.076 172 HG12 ILE 22 HG12 ILE 22 -10.804 5.031 -9.433 173 HG13 ILE 22 HG13 ILE 22 -11.934 3.697 -9.254 174 HG21 ILE 22 HG21 ILE 22 -10.707 3.187 -6.246 175 HG22 ILE 22 HG22 ILE 22 -9.716 1.849 -6.823 176 HG23 ILE 22 HG23 ILE 22 -11.391 1.997 -7.353 177 HD11 ILE 22 HD11 ILE 22 -12.319 4.353 -6.924 178 HD12 ILE 22 HD12 ILE 22 -12.710 5.648 -8.055 179 HD13 ILE 22 HD13 ILE 22 -11.208 5.707 -7.133 180 H ARG 23 H ARG 23 -9.220 6.691 -7.758 181 HA ARG 23 HA ARG 23 -8.246 6.856 -5.039 182 HB2 ARG 23 HB2 ARG 23 -9.223 9.072 -6.840 183 HB3 ARG 23 HB3 ARG 23 -8.333 9.261 -5.334 184 HG2 ARG 23 HG2 ARG 23 -6.491 7.899 -6.437 185 HG3 ARG 23 HG3 ARG 23 -7.358 8.168 -7.949 186 HD2 ARG 23 HD2 ARG 23 -7.191 10.599 -7.579 187 HD3 ARG 23 HD3 ARG 23 -6.273 10.291 -6.104 188 HE ARG 23 HE ARG 23 -5.257 10.328 -8.743 189 HH11 ARG 23 HH11 ARG 23 -4.943 8.568 -5.727 190 HH12 ARG 23 HH12 ARG 23 -3.341 7.995 -6.065 191 HH21 ARG 23 HH21 ARG 23 -3.124 9.640 -9.168 192 HH22 ARG 23 HH22 ARG 23 -2.290 8.655 -8.010 193 H THR 24 H THR 24 -9.435 6.820 -3.311 194 HA THR 24 HA THR 24 -12.245 7.681 -3.450 195 HB THR 24 HB THR 24 -11.188 5.192 -2.112 196 HG1 THR 24 HG1 THR 24 -12.062 5.617 -4.566 197 HG21 THR 24 HG21 THR 24 -12.897 6.187 -0.724 198 HG22 THR 24 HG22 THR 24 -13.536 4.744 -1.513 199 HG23 THR 24 HG23 THR 24 -13.972 6.345 -2.113 200 H GLN 25 H GLN 25 -12.321 9.425 -2.157 201 HA GLN 25 HA GLN 25 -10.558 9.580 0.149 202 HB2 GLN 25 HB2 GLN 25 -11.527 11.925 0.332 203 HB3 GLN 25 HB3 GLN 25 -10.543 11.576 -1.082 204 HG2 GLN 25 HG2 GLN 25 -12.648 11.179 -2.357 205 HG3 GLN 25 HG3 GLN 25 -13.542 11.743 -0.944 206 HE21 GLN 25 HE21 GLN 25 -11.369 12.629 -3.513 207 HE22 GLN 25 HE22 GLN 25 -11.601 14.341 -3.385 208 H THR 26 H THR 26 -11.152 9.463 2.212 209 HA THR 26 HA THR 26 -13.921 9.602 3.038 210 HB THR 26 HB THR 26 -13.763 7.264 2.271 211 HG1 THR 26 HG1 THR 26 -15.078 7.009 3.908 212 HG21 THR 26 HG21 THR 26 -11.571 6.960 4.325 213 HG22 THR 26 HG22 THR 26 -11.334 6.981 2.578 214 HG23 THR 26 HG23 THR 26 -12.257 5.678 3.326 215 H ALA 27 H ALA 27 -13.855 8.850 5.586 216 HA ALA 27 HA ALA 27 -11.371 9.584 6.856 217 HB1 ALA 27 HB1 ALA 27 -13.719 11.452 7.099 218 HB2 ALA 27 HB2 ALA 27 -12.225 11.778 6.218 219 HB3 ALA 27 HB3 ALA 27 -12.191 11.576 7.971 220 H MET 28 H MET 28 -11.196 8.677 8.757 221 HA MET 28 HA MET 28 -11.597 7.806 10.781 222 HB2 MET 28 HB2 MET 28 -12.442 10.065 11.176 223 HB3 MET 28 HB3 MET 28 -14.051 9.555 10.690 224 HG2 MET 28 HG2 MET 28 -14.286 8.165 12.585 225 HG3 MET 28 HG3 MET 28 -12.576 8.302 12.986 226 HE1 MET 28 HE1 MET 28 -15.982 10.281 12.717 227 HE2 MET 28 HE2 MET 28 -14.853 11.272 11.792 228 HE3 MET 28 HE3 MET 28 -15.499 11.864 13.323 229 H SER 29 H SER 29 -11.853 5.724 9.944 230 HA SER 29 HA SER 29 -12.751 3.661 10.191 231 HB2 SER 29 HB2 SER 29 -14.752 5.135 11.908 232 HB3 SER 29 HB3 SER 29 -14.555 3.381 11.864 233 HG SER 29 HG SER 29 -13.194 5.148 13.313 234 H GLU 30 H GLU 30 -13.678 5.332 7.936 235 HA GLU 30 HA GLU 30 -16.183 3.876 7.386 236 HB2 GLU 30 HB2 GLU 30 -16.035 6.500 7.342 237 HB3 GLU 30 HB3 GLU 30 -15.266 6.246 5.784 238 HG2 GLU 30 HG2 GLU 30 -17.803 4.814 6.184 239 HG3 GLU 30 HG3 GLU 30 -17.917 6.571 6.147 240 H LEU 31 H LEU 31 -13.060 3.537 7.059 241 HA LEU 31 HA LEU 31 -12.673 3.245 4.236 242 HB2 LEU 31 HB2 LEU 31 -11.006 2.466 6.621 243 HB3 LEU 31 HB3 LEU 31 -10.506 2.168 4.972 244 HG LEU 31 HG LEU 31 -10.682 4.675 4.600 245 HD11 LEU 31 HD11 LEU 31 -10.794 4.659 7.611 246 HD12 LEU 31 HD12 LEU 31 -12.040 5.260 6.517 247 HD13 LEU 31 HD13 LEU 31 -10.479 6.075 6.609 248 HD21 LEU 31 HD21 LEU 31 -8.663 3.584 6.550 249 HD22 LEU 31 HD22 LEU 31 -8.491 5.087 5.644 250 HD23 LEU 31 HD23 LEU 31 -8.559 3.544 4.790 251 H GLY 32 H GLY 32 -13.484 1.134 6.901 252 HA2 GLY 32 HA2 GLY 32 -12.758 -1.349 5.956 253 HA3 GLY 32 HA3 GLY 32 -14.157 -1.062 6.975 254 H SER 33 H SER 33 -15.913 0.215 5.407 255 HA SER 33 HA SER 33 -17.022 -1.830 3.867 256 HB2 SER 33 HB2 SER 33 -17.600 1.132 3.618 257 HB3 SER 33 HB3 SER 33 -18.681 -0.200 3.204 258 HG SER 33 HG SER 33 -18.731 -0.764 5.409 259 H LEU 34 H LEU 34 -14.918 0.830 2.996 260 HA LEU 34 HA LEU 34 -15.266 0.591 0.179 261 HB2 LEU 34 HB2 LEU 34 -13.078 1.893 1.799 262 HB3 LEU 34 HB3 LEU 34 -13.277 2.063 0.064 263 HG LEU 34 HG LEU 34 -15.339 2.932 2.092 264 HD11 LEU 34 HD11 LEU 34 -13.322 4.579 0.578 265 HD12 LEU 34 HD12 LEU 34 -13.283 4.237 2.308 266 HD13 LEU 34 HD13 LEU 34 -14.595 5.199 1.627 267 HD21 LEU 34 HD21 LEU 34 -15.072 3.480 -0.863 268 HD22 LEU 34 HD22 LEU 34 -16.329 4.113 0.201 269 HD23 LEU 34 HD23 LEU 34 -16.235 2.381 -0.122 270 H PHE 35 H PHE 35 -12.883 -0.635 2.501 271 HA PHE 35 HA PHE 35 -11.108 -1.747 0.631 272 HB2 PHE 35 HB2 PHE 35 -11.713 -2.510 3.487 273 HB3 PHE 35 HB3 PHE 35 -10.455 -3.295 2.535 274 HD1 PHE 35 HD2 PHE 35 -9.237 -1.086 1.100 275 HD2 PHE 35 HD1 PHE 35 -10.646 -1.271 5.110 276 HE1 PHE 35 HE2 PHE 35 -7.648 0.682 1.733 277 HE2 PHE 35 HE1 PHE 35 -9.058 0.493 5.752 278 HZ PHE 35 HZ PHE 35 -7.558 1.473 4.064 279 H GLU 36 H GLU 36 -13.850 -3.226 2.353 280 HA GLU 36 HA GLU 36 -13.648 -5.752 1.155 281 HB2 GLU 36 HB2 GLU 36 -15.840 -4.260 2.515 282 HB3 GLU 36 HB3 GLU 36 -16.261 -5.698 1.596 283 HG2 GLU 36 HG2 GLU 36 -15.967 -6.377 3.833 284 HG3 GLU 36 HG3 GLU 36 -14.558 -6.944 2.941 285 H ALA 37 H ALA 37 -15.309 -2.814 0.126 286 HA ALA 37 HA ALA 37 -16.694 -3.926 -2.063 287 HB1 ALA 37 HB1 ALA 37 -17.015 -1.658 -2.816 288 HB2 ALA 37 HB2 ALA 37 -15.722 -1.089 -1.760 289 HB3 ALA 37 HB3 ALA 37 -17.212 -1.727 -1.063 290 H GLY 38 H GLY 38 -13.624 -2.127 -1.940 291 HA2 GLY 38 HA2 GLY 38 -13.029 -2.188 -4.658 292 HA3 GLY 38 HA3 GLY 38 -11.838 -2.074 -3.373 293 H TYR 39 H TYR 39 -12.367 -4.611 -2.174 294 HA TYR 39 HA TYR 39 -10.661 -6.239 -3.665 295 HB2 TYR 39 HB2 TYR 39 -12.305 -6.567 -1.247 296 HB3 TYR 39 HB3 TYR 39 -11.960 -8.062 -2.111 297 HD1 TYR 39 HD1 TYR 39 -10.442 -5.201 -0.340 298 HD2 TYR 39 HD2 TYR 39 -9.769 -8.998 -2.133 299 HE1 TYR 39 HE1 TYR 39 -8.207 -5.282 0.681 300 HE2 TYR 39 HE2 TYR 39 -7.535 -9.093 -1.117 301 HH TYR 39 HH TYR 39 -5.850 -7.550 -0.241 302 H HIS 40 H HIS 40 -14.216 -6.633 -3.255 303 HA HIS 40 HA HIS 40 -14.243 -8.885 -4.985 304 HB2 HIS 40 HB2 HIS 40 -16.662 -8.844 -4.849 305 HB3 HIS 40 HB3 HIS 40 -15.964 -8.593 -3.259 306 HD1 HIS 40 HD1 HIS 40 -17.785 -6.725 -5.999 307 HD2 HIS 40 HD2 HIS 40 -16.764 -6.293 -1.988 308 HE1 HIS 40 HE1 HIS 40 -19.061 -4.713 -5.184 309 HE2 HIS 40 HE2 HIS 40 -18.564 -4.581 -2.713 310 H ASP 41 H ASP 41 -14.689 -5.456 -5.563 311 HA ASP 41 HA ASP 41 -15.805 -5.756 -8.168 312 HB2 ASP 41 HB2 ASP 41 -14.763 -3.506 -6.548 313 HB3 ASP 41 HB3 ASP 41 -14.721 -3.288 -8.297 314 H ILE 42 H ILE 42 -12.509 -5.026 -7.036 315 HA ILE 42 HA ILE 42 -11.437 -4.964 -9.675 316 HB ILE 42 HB ILE 42 -10.037 -5.210 -7.003 317 HG12 ILE 42 HG12 ILE 42 -10.511 -2.858 -8.852 318 HG13 ILE 42 HG13 ILE 42 -11.322 -3.140 -7.318 319 HG21 ILE 42 HG21 ILE 42 -7.994 -4.576 -8.174 320 HG22 ILE 42 HG22 ILE 42 -8.857 -4.574 -9.711 321 HG23 ILE 42 HG23 ILE 42 -8.635 -6.083 -8.826 322 HD11 ILE 42 HD11 ILE 42 -9.600 -1.454 -7.104 323 HD12 ILE 42 HD12 ILE 42 -8.389 -2.591 -7.692 324 HD13 ILE 42 HD13 ILE 42 -9.194 -2.881 -6.150 325 H LEU 43 H LEU 43 -12.023 -7.488 -7.351 326 HA LEU 43 HA LEU 43 -10.453 -9.544 -8.404 327 HB2 LEU 43 HB2 LEU 43 -13.110 -9.493 -7.022 328 HB3 LEU 43 HB3 LEU 43 -12.519 -10.997 -7.702 329 HG LEU 43 HG LEU 43 -11.076 -9.355 -5.618 330 HD11 LEU 43 HD11 LEU 43 -12.614 -11.937 -5.355 331 HD12 LEU 43 HD12 LEU 43 -13.112 -10.362 -4.734 332 HD13 LEU 43 HD13 LEU 43 -11.677 -11.153 -4.081 333 HD21 LEU 43 HD21 LEU 43 -10.479 -12.070 -6.789 334 HD22 LEU 43 HD22 LEU 43 -9.624 -11.329 -5.437 335 HD23 LEU 43 HD23 LEU 43 -9.546 -10.595 -7.038 336 H GLN 44 H GLN 44 -13.663 -8.397 -9.371 337 HA GLN 44 HA GLN 44 -14.141 -10.325 -11.358 338 HB2 GLN 44 HB2 GLN 44 -15.181 -7.528 -10.960 339 HB3 GLN 44 HB3 GLN 44 -15.719 -8.548 -12.285 340 HG2 GLN 44 HG2 GLN 44 -15.969 -9.212 -9.361 341 HG3 GLN 44 HG3 GLN 44 -17.258 -8.577 -10.381 342 HE21 GLN 44 HE21 GLN 44 -18.080 -9.893 -12.055 343 HE22 GLN 44 HE22 GLN 44 -17.920 -11.617 -11.988 344 H LEU 45 H LEU 45 -12.347 -7.322 -11.405 345 HA LEU 45 HA LEU 45 -12.156 -7.049 -14.214 346 HB2 LEU 45 HB2 LEU 45 -11.639 -5.324 -12.389 347 HB3 LEU 45 HB3 LEU 45 -10.095 -6.127 -12.216 348 HG LEU 45 HG LEU 45 -10.042 -4.041 -13.592 349 HD11 LEU 45 HD11 LEU 45 -9.246 -6.572 -15.013 350 HD12 LEU 45 HD12 LEU 45 -8.274 -5.668 -13.851 351 HD13 LEU 45 HD13 LEU 45 -8.676 -4.952 -15.412 352 HD21 LEU 45 HD21 LEU 45 -11.602 -5.695 -15.568 353 HD22 LEU 45 HD22 LEU 45 -10.892 -4.109 -15.873 354 HD23 LEU 45 HD23 LEU 45 -12.196 -4.281 -14.698 355 H LEU 46 H LEU 46 -9.867 -8.366 -11.814 356 HA LEU 46 HA LEU 46 -8.020 -9.226 -13.804 357 HB2 LEU 46 HB2 LEU 46 -8.241 -9.948 -10.884 358 HB3 LEU 46 HB3 LEU 46 -6.912 -10.429 -11.923 359 HG LEU 46 HG LEU 46 -7.651 -7.593 -11.199 360 HD11 LEU 46 HD11 LEU 46 -5.527 -7.612 -10.001 361 HD12 LEU 46 HD12 LEU 46 -5.307 -9.312 -10.416 362 HD13 LEU 46 HD13 LEU 46 -6.638 -8.824 -9.364 363 HD21 LEU 46 HD21 LEU 46 -6.753 -7.761 -13.473 364 HD22 LEU 46 HD22 LEU 46 -5.356 -8.643 -12.854 365 HD23 LEU 46 HD23 LEU 46 -5.618 -6.963 -12.385 366 H ALA 47 H ALA 47 -10.448 -10.933 -11.846 367 HA ALA 47 HA ALA 47 -9.757 -13.515 -12.823 368 HB1 ALA 47 HB1 ALA 47 -10.943 -13.149 -10.692 369 HB2 ALA 47 HB2 ALA 47 -11.782 -14.283 -11.749 370 HB3 ALA 47 HB3 ALA 47 -12.364 -12.624 -11.593 371 H GLY 48 H GLY 48 -12.114 -11.077 -13.786 372 HA2 GLY 48 HA2 GLY 48 -13.415 -12.663 -15.754 373 HA3 GLY 48 HA3 GLY 48 -13.464 -10.910 -15.637 374 H GLN 49 H GLN 49 -10.585 -10.598 -15.788 375 HA GLN 49 HA GLN 49 -10.224 -10.724 -18.628 376 HB2 GLN 49 HB2 GLN 49 -9.274 -8.956 -17.063 377 HB3 GLN 49 HB3 GLN 49 -8.107 -10.164 -16.548 378 HG2 GLN 49 HG2 GLN 49 -7.044 -8.813 -18.163 379 HG3 GLN 49 HG3 GLN 49 -7.386 -10.361 -18.932 380 HE21 GLN 49 HE21 GLN 49 -6.921 -7.743 -20.123 381 HE22 GLN 49 HE22 GLN 49 -8.319 -7.394 -21.080 382 H GLY 50 H GLY 50 -9.068 -12.495 -15.817 383 HA2 GLY 50 HA2 GLY 50 -8.720 -14.871 -15.967 384 HA3 GLY 50 HA3 GLY 50 -8.190 -14.647 -17.629 385 H LYS 51 H LYS 51 -7.163 -12.669 -14.897 386 HA LYS 51 HA LYS 51 -4.550 -13.986 -14.939 387 HB2 LYS 51 HB2 LYS 51 -5.018 -11.039 -15.371 388 HB3 LYS 51 HB3 LYS 51 -3.457 -11.714 -14.919 389 HG2 LYS 51 HG2 LYS 51 -3.504 -13.094 -16.965 390 HG3 LYS 51 HG3 LYS 51 -5.015 -12.310 -17.424 391 HD2 LYS 51 HD2 LYS 51 -3.899 -10.153 -17.486 392 HD3 LYS 51 HD3 LYS 51 -2.387 -10.905 -16.967 393 HE2 LYS 51 HE2 LYS 51 -2.358 -12.261 -18.992 394 HE3 LYS 51 HE3 LYS 51 -3.878 -11.535 -19.509 395 HZ1 LYS 51 HZ1 LYS 51 -2.057 -10.458 -20.620 396 HZ2 LYS 51 HZ2 LYS 51 -1.276 -10.141 -19.147 397 HZ3 LYS 51 HZ3 LYS 51 -2.738 -9.362 -19.520 398 H SER 52 H SER 52 -3.118 -12.770 -13.201 399 HA SER 52 HA SER 52 -4.745 -12.127 -10.844 400 HB2 SER 52 HB2 SER 52 -2.456 -14.113 -10.903 401 HB3 SER 52 HB3 SER 52 -3.326 -13.596 -9.458 402 HG SER 52 HG SER 52 -5.113 -14.394 -11.256 403 HA PRO 53 HA PRO 53 -1.776 -8.926 -10.062 404 HB2 PRO 53 HB2 PRO 53 -1.456 -9.822 -7.268 405 HB3 PRO 53 HB3 PRO 53 -2.056 -8.283 -7.893 406 HG2 PRO 53 HG2 PRO 53 -3.699 -10.076 -6.767 407 HG3 PRO 53 HG3 PRO 53 -4.214 -9.071 -8.135 408 HD2 PRO 53 HD2 PRO 53 -3.358 -11.938 -8.101 409 HD3 PRO 53 HD3 PRO 53 -4.663 -11.162 -9.024 410 H SER 54 H SER 54 0.442 -8.501 -9.638 411 HA SER 54 HA SER 54 2.123 -10.866 -9.924 412 HB2 SER 54 HB2 SER 54 2.304 -8.873 -11.475 413 HB3 SER 54 HB3 SER 54 2.939 -7.955 -10.112 414 HG SER 54 HG SER 54 4.082 -10.384 -11.048 415 H GLY 55 H GLY 55 0.837 -9.700 -7.373 416 HA2 GLY 55 HA2 GLY 55 2.574 -10.565 -5.469 417 HA3 GLY 55 HA3 GLY 55 3.053 -8.894 -5.740 418 HA PRO 56 HA PRO 56 -0.401 -8.815 -2.686 419 HB2 PRO 56 HB2 PRO 56 1.238 -7.210 -0.966 420 HB3 PRO 56 HB3 PRO 56 0.708 -8.872 -0.716 421 HG2 PRO 56 HG2 PRO 56 3.323 -8.111 -1.150 422 HG3 PRO 56 HG3 PRO 56 2.681 -9.735 -1.453 423 HD2 PRO 56 HD2 PRO 56 3.198 -7.506 -3.380 424 HD3 PRO 56 HD3 PRO 56 3.451 -9.256 -3.580 425 HA PRO 57 HA PRO 57 -1.656 -4.685 -3.811 426 HB2 PRO 57 HB2 PRO 57 -3.615 -4.275 -1.987 427 HB3 PRO 57 HB3 PRO 57 -3.807 -5.352 -3.376 428 HG2 PRO 57 HG2 PRO 57 -3.181 -6.023 -0.528 429 HG3 PRO 57 HG3 PRO 57 -4.281 -6.838 -1.657 430 HD2 PRO 57 HD2 PRO 57 -1.779 -7.751 -1.100 431 HD3 PRO 57 HD3 PRO 57 -2.577 -8.008 -2.665 432 H PHE 58 H PHE 58 -1.216 -2.624 -3.308 433 HA PHE 58 HA PHE 58 -0.146 -2.055 -0.615 434 HB2 PHE 58 HB2 PHE 58 0.604 -0.307 -2.902 435 HB3 PHE 58 HB3 PHE 58 1.556 -0.792 -1.506 436 HD1 PHE 58 HD2 PHE 58 2.642 -3.045 -1.495 437 HD2 PHE 58 HD1 PHE 58 0.767 -1.425 -4.954 438 HE1 PHE 58 HE2 PHE 58 3.857 -4.654 -2.907 439 HE2 PHE 58 HE1 PHE 58 1.979 -3.025 -6.372 440 HZ PHE 58 HZ PHE 58 3.529 -4.645 -5.349 441 H ALA 59 H ALA 59 -1.474 -0.762 0.480 442 HA ALA 59 HA ALA 59 -3.403 0.869 -1.017 443 HB1 ALA 59 HB1 ALA 59 -3.445 0.031 1.884 444 HB2 ALA 59 HB2 ALA 59 -4.350 -0.736 0.579 445 HB3 ALA 59 HB3 ALA 59 -4.710 0.927 1.041 446 H ARG 60 H ARG 60 -3.051 2.994 -1.158 447 HA ARG 60 HA ARG 60 -1.419 4.209 0.990 448 HB2 ARG 60 HB2 ARG 60 -0.020 5.271 -0.468 449 HB3 ARG 60 HB3 ARG 60 -0.407 3.874 -1.457 450 HG2 ARG 60 HG2 ARG 60 -2.268 5.337 -2.444 451 HG3 ARG 60 HG3 ARG 60 -1.409 6.685 -1.700 452 HD2 ARG 60 HD2 ARG 60 -0.315 4.745 -3.732 453 HD3 ARG 60 HD3 ARG 60 -0.716 6.438 -4.003 454 HE ARG 60 HE ARG 60 1.114 6.905 -2.329 455 HH11 ARG 60 HH11 ARG 60 1.086 4.087 -4.396 456 HH12 ARG 60 HH12 ARG 60 2.812 3.875 -4.357 457 HH21 ARG 60 HH21 ARG 60 3.383 6.653 -2.269 458 HH22 ARG 60 HH22 ARG 60 4.117 5.342 -3.136 459 H TYR 61 H TYR 61 -2.046 6.227 1.719 460 HA TYR 61 HA TYR 61 -4.385 7.401 0.420 461 HB2 TYR 61 HB2 TYR 61 -5.533 7.715 2.592 462 HB3 TYR 61 HB3 TYR 61 -5.395 6.036 2.105 463 HD1 TYR 61 HD2 TYR 61 -3.803 4.537 3.297 464 HD2 TYR 61 HD1 TYR 61 -4.563 8.512 4.609 465 HE1 TYR 61 HE2 TYR 61 -2.883 3.975 5.507 466 HE2 TYR 61 HE1 TYR 61 -3.653 7.962 6.825 467 HH TYR 61 HH TYR 61 -3.281 5.962 8.227 468 H PHE 62 H PHE 62 -4.387 9.494 0.301 469 HA PHE 62 HA PHE 62 -2.415 10.995 1.889 470 HB2 PHE 62 HB2 PHE 62 -2.342 12.563 -0.123 471 HB3 PHE 62 HB3 PHE 62 -1.561 10.999 -0.315 472 HD1 PHE 62 HD1 PHE 62 -2.576 9.268 -1.724 473 HD2 PHE 62 HD2 PHE 62 -4.267 13.164 -1.421 474 HE1 PHE 62 HE1 PHE 62 -3.902 8.845 -3.754 475 HE2 PHE 62 HE2 PHE 62 -5.599 12.745 -3.447 476 HZ PHE 62 HZ PHE 62 -5.419 10.585 -4.616 477 H GLY 63 H GLY 63 -3.090 12.800 2.887 478 HA2 GLY 63 HA2 GLY 63 -5.213 14.451 2.280 479 HA3 GLY 63 HA3 GLY 63 -5.900 13.150 3.245 480 H MET 64 H MET 64 -2.844 14.925 3.357 481 HA MET 64 HA MET 64 -3.047 15.087 6.238 482 HB2 MET 64 HB2 MET 64 -0.859 16.042 4.371 483 HB3 MET 64 HB3 MET 64 -0.763 16.005 6.127 484 HG2 MET 64 HG2 MET 64 0.419 14.120 5.294 485 HG3 MET 64 HG3 MET 64 -1.073 13.537 6.029 486 HE1 MET 64 HE1 MET 64 0.113 11.352 4.461 487 HE2 MET 64 HE2 MET 64 -1.145 10.897 3.310 488 HE3 MET 64 HE3 MET 64 -1.577 11.321 4.966 489 H SER 65 H SER 65 -4.768 16.480 6.491 490 HA SER 65 HA SER 65 -4.135 19.288 6.215 491 HB2 SER 65 HB2 SER 65 -5.173 18.694 4.037 492 HB3 SER 65 HB3 SER 65 -6.600 18.116 4.892 493 HG SER 65 HG SER 65 -7.235 20.098 4.609 494 H ALA 66 H ALA 66 -7.063 17.291 6.729 495 HA ALA 66 HA ALA 66 -7.217 18.397 9.446 496 HB1 ALA 66 HB1 ALA 66 -8.637 19.787 8.023 497 HB2 ALA 66 HB2 ALA 66 -9.592 18.870 9.190 498 HB3 ALA 66 HB3 ALA 66 -9.523 18.353 7.505 499 H GLY 67 H GLY 67 -9.060 16.205 7.278 500 HA2 GLY 67 HA2 GLY 67 -8.670 14.036 9.175 501 HA3 GLY 67 HA3 GLY 67 -10.317 14.632 9.055 502 H THR 68 H THR 68 -10.373 15.149 6.262 503 HA THR 68 HA THR 68 -10.933 12.474 5.388 504 HB THR 68 HB THR 68 -11.055 15.035 3.787 505 HG1 THR 68 HG1 THR 68 -13.463 14.182 4.516 506 HG21 THR 68 HG21 THR 68 -12.406 12.362 3.385 507 HG22 THR 68 HG22 THR 68 -11.100 13.021 2.400 508 HG23 THR 68 HG23 THR 68 -12.680 13.808 2.411 509 H PHE 69 H PHE 69 -9.667 11.161 4.299 510 HA PHE 69 HA PHE 69 -7.441 12.269 2.736 511 HB2 PHE 69 HB2 PHE 69 -6.190 10.114 3.386 512 HB3 PHE 69 HB3 PHE 69 -6.303 11.388 4.591 513 HD1 PHE 69 HD2 PHE 69 -7.778 8.159 3.546 514 HD2 PHE 69 HD1 PHE 69 -7.264 10.991 6.676 515 HE1 PHE 69 HE2 PHE 69 -8.746 6.562 5.143 516 HE2 PHE 69 HE1 PHE 69 -8.231 9.399 8.282 517 HZ PHE 69 HZ PHE 69 -8.974 7.181 7.515 518 H GLU 70 H GLU 70 -6.835 11.039 0.898 519 HA GLU 70 HA GLU 70 -9.082 9.443 -0.116 520 HB2 GLU 70 HB2 GLU 70 -8.477 11.569 -1.286 521 HB3 GLU 70 HB3 GLU 70 -6.924 10.853 -1.685 522 HG2 GLU 70 HG2 GLU 70 -7.798 9.482 -3.263 523 HG3 GLU 70 HG3 GLU 70 -9.350 9.342 -2.438 524 H VAL 71 H VAL 71 -8.829 7.380 -0.578 525 HA VAL 71 HA VAL 71 -6.157 6.220 -0.184 526 HB VAL 71 HB VAL 71 -7.279 4.156 0.438 527 HG11 VAL 71 HG11 VAL 71 -8.487 6.518 1.867 528 HG12 VAL 71 HG12 VAL 71 -6.921 5.783 2.208 529 HG13 VAL 71 HG13 VAL 71 -8.402 4.869 2.491 530 HG21 VAL 71 HG21 VAL 71 -9.723 4.016 0.623 531 HG22 VAL 71 HG22 VAL 71 -9.183 4.234 -1.040 532 HG23 VAL 71 HG23 VAL 71 -9.856 5.597 -0.148 533 H GLU 72 H GLU 72 -5.437 4.534 -1.514 534 HA GLU 72 HA GLU 72 -7.167 3.696 -3.711 535 HB2 GLU 72 HB2 GLU 72 -5.276 3.742 -5.309 536 HB3 GLU 72 HB3 GLU 72 -5.740 5.347 -4.760 537 HG2 GLU 72 HG2 GLU 72 -3.849 5.434 -3.278 538 HG3 GLU 72 HG3 GLU 72 -3.426 3.768 -3.661 539 H PHE 73 H PHE 73 -6.982 1.575 -4.219 540 HA PHE 73 HA PHE 73 -6.008 -0.061 -2.092 541 HB2 PHE 73 HB2 PHE 73 -7.266 -0.890 -4.712 542 HB3 PHE 73 HB3 PHE 73 -7.091 -1.891 -3.275 543 HD1 PHE 73 HD2 PHE 73 -8.305 -1.173 -1.167 544 HD2 PHE 73 HD1 PHE 73 -9.134 0.473 -5.003 545 HE1 PHE 73 HE2 PHE 73 -10.485 -0.379 -0.352 546 HE2 PHE 73 HE1 PHE 73 -11.315 1.274 -4.193 547 HZ PHE 73 HZ PHE 73 -11.993 0.846 -1.865 548 H GLY 74 H GLY 74 -5.048 0.487 -5.435 549 HA2 GLY 74 HA2 GLY 74 -3.119 0.007 -6.560 550 HA3 GLY 74 HA3 GLY 74 -2.356 0.066 -4.984 551 H PHE 75 H PHE 75 -4.105 -2.119 -7.188 552 HA PHE 75 HA PHE 75 -2.729 -4.385 -5.915 553 HB2 PHE 75 HB2 PHE 75 -4.988 -4.243 -7.920 554 HB3 PHE 75 HB3 PHE 75 -4.171 -5.748 -7.515 555 HD1 PHE 75 HD2 PHE 75 -6.344 -3.072 -6.230 556 HD2 PHE 75 HD1 PHE 75 -4.617 -6.888 -5.484 557 HE1 PHE 75 HE2 PHE 75 -7.875 -3.391 -4.329 558 HE2 PHE 75 HE1 PHE 75 -6.147 -7.215 -3.586 559 HZ PHE 75 HZ PHE 75 -7.778 -5.464 -3.005 560 HA PRO 76 HA PRO 76 0.280 -4.353 -9.172 561 HB2 PRO 76 HB2 PRO 76 0.722 -7.202 -8.641 562 HB3 PRO 76 HB3 PRO 76 1.814 -5.837 -8.395 563 HG2 PRO 76 HG2 PRO 76 0.702 -7.164 -6.334 564 HG3 PRO 76 HG3 PRO 76 1.034 -5.423 -6.267 565 HD2 PRO 76 HD2 PRO 76 -1.560 -6.840 -6.781 566 HD3 PRO 76 HD3 PRO 76 -1.237 -5.415 -5.768 567 H VAL 77 H VAL 77 0.641 -5.173 -11.282 568 HA VAL 77 HA VAL 77 -1.615 -6.773 -12.299 569 HB VAL 77 HB VAL 77 -1.350 -5.645 -14.457 570 HG11 VAL 77 HG11 VAL 77 -2.187 -3.440 -13.810 571 HG12 VAL 77 HG12 VAL 77 -1.630 -3.712 -12.159 572 HG13 VAL 77 HG13 VAL 77 -2.913 -4.717 -12.833 573 HG21 VAL 77 HG21 VAL 77 0.730 -3.953 -13.073 574 HG22 VAL 77 HG22 VAL 77 0.112 -3.706 -14.707 575 HG23 VAL 77 HG23 VAL 77 1.045 -5.153 -14.326 576 H GLU 78 H GLU 78 -1.228 -8.263 -13.929 577 HA GLU 78 HA GLU 78 1.102 -9.800 -13.639 578 HB2 GLU 78 HB2 GLU 78 -1.122 -10.674 -14.299 579 HB3 GLU 78 HB3 GLU 78 -0.968 -9.861 -15.847 580 HG2 GLU 78 HG2 GLU 78 1.107 -11.828 -15.017 581 HG3 GLU 78 HG3 GLU 78 -0.448 -12.399 -15.617 582 H GLY 79 H GLY 79 -0.004 -7.810 -16.375 583 HA2 GLY 79 HA2 GLY 79 2.681 -6.975 -16.959 584 HA3 GLY 79 HA3 GLY 79 2.033 -8.098 -18.150 585 H GLY 80 H GLY 80 0.595 -7.389 -19.649 586 HA2 GLY 80 HA2 GLY 80 0.201 -4.500 -19.777 587 HA3 GLY 80 HA3 GLY 80 -0.138 -5.661 -21.054 588 H VAL 81 H VAL 81 -1.246 -4.902 -17.753 589 HA VAL 81 HA VAL 81 -3.960 -5.643 -18.604 590 HB VAL 81 HB VAL 81 -3.146 -5.151 -15.760 591 HG11 VAL 81 HG11 VAL 81 -5.346 -6.781 -17.006 592 HG12 VAL 81 HG12 VAL 81 -5.520 -5.226 -16.193 593 HG13 VAL 81 HG13 VAL 81 -5.029 -6.650 -15.276 594 HG21 VAL 81 HG21 VAL 81 -1.605 -6.834 -16.603 595 HG22 VAL 81 HG22 VAL 81 -2.956 -7.773 -17.237 596 HG23 VAL 81 HG23 VAL 81 -2.768 -7.563 -15.496 597 H GLU 82 H GLU 82 -5.649 -4.273 -18.296 598 HA GLU 82 HA GLU 82 -4.981 -1.474 -17.690 599 HB2 GLU 82 HB2 GLU 82 -6.796 -2.685 -19.753 600 HB3 GLU 82 HB3 GLU 82 -7.104 -1.063 -19.154 601 HG2 GLU 82 HG2 GLU 82 -4.450 -1.880 -20.284 602 HG3 GLU 82 HG3 GLU 82 -5.763 -1.269 -21.290 603 H GLY 83 H GLY 83 -6.993 -0.220 -17.013 604 HA2 GLY 83 HA2 GLY 83 -8.276 -1.711 -14.873 605 HA3 GLY 83 HA3 GLY 83 -8.318 0.032 -15.101 606 H SER 84 H SER 84 -10.658 -0.712 -14.480 607 HA SER 84 HA SER 84 -12.142 -1.692 -16.797 608 HB2 SER 84 HB2 SER 84 -14.034 -1.842 -15.211 609 HB3 SER 84 HB3 SER 84 -12.618 -2.710 -14.626 610 HG SER 84 HG SER 84 -13.777 -1.261 -13.103 611 H GLY 85 H GLY 85 -10.953 1.134 -16.234 612 HA2 GLY 85 HA2 GLY 85 -11.708 3.084 -17.416 613 HA3 GLY 85 HA3 GLY 85 -13.365 2.594 -17.086 614 H ARG 86 H ARG 86 -13.539 2.191 -14.504 615 HA ARG 86 HA ARG 86 -13.184 4.744 -13.266 616 HB2 ARG 86 HB2 ARG 86 -15.031 3.090 -12.730 617 HB3 ARG 86 HB3 ARG 86 -13.822 2.125 -11.894 618 HG2 ARG 86 HG2 ARG 86 -13.359 4.123 -10.454 619 HG3 ARG 86 HG3 ARG 86 -14.763 4.893 -11.195 620 HD2 ARG 86 HD2 ARG 86 -16.065 2.828 -10.478 621 HD3 ARG 86 HD3 ARG 86 -14.670 2.425 -9.485 622 HE ARG 86 HE ARG 86 -15.235 4.986 -8.777 623 HH11 ARG 86 HH11 ARG 86 -17.100 2.020 -8.889 624 HH12 ARG 86 HH12 ARG 86 -18.208 2.522 -7.648 625 HH21 ARG 86 HH21 ARG 86 -16.657 5.644 -7.152 626 HH22 ARG 86 HH22 ARG 86 -17.947 4.590 -6.639 627 H VAL 87 H VAL 87 -11.882 1.514 -12.571 628 HA VAL 87 HA VAL 87 -9.623 2.637 -11.144 629 HB VAL 87 HB VAL 87 -10.684 0.508 -10.399 630 HG11 VAL 87 HG11 VAL 87 -9.561 -0.595 -12.958 631 HG12 VAL 87 HG12 VAL 87 -11.261 -0.484 -12.503 632 HG13 VAL 87 HG13 VAL 87 -10.180 -1.569 -11.626 633 HG21 VAL 87 HG21 VAL 87 -8.605 -0.726 -10.002 634 HG22 VAL 87 HG22 VAL 87 -8.402 1.007 -9.741 635 HG23 VAL 87 HG23 VAL 87 -7.797 0.261 -11.219 636 H VAL 88 H VAL 88 -7.543 2.752 -11.936 637 HA VAL 88 HA VAL 88 -7.085 1.794 -14.675 638 HB VAL 88 HB VAL 88 -5.837 3.894 -15.193 639 HG11 VAL 88 HG11 VAL 88 -8.086 3.541 -16.051 640 HG12 VAL 88 HG12 VAL 88 -7.818 5.245 -15.678 641 HG13 VAL 88 HG13 VAL 88 -8.770 4.241 -14.583 642 HG21 VAL 88 HG21 VAL 88 -5.432 4.682 -12.934 643 HG22 VAL 88 HG22 VAL 88 -7.163 4.904 -12.678 644 HG23 VAL 88 HG23 VAL 88 -6.309 5.901 -13.856 645 H THR 89 H THR 89 -4.765 1.693 -15.231 646 HA THR 89 HA THR 89 -3.241 0.908 -12.886 647 HB THR 89 HB THR 89 -3.255 -0.630 -14.766 648 HG1 THR 89 HG1 THR 89 -1.422 -0.792 -13.570 649 HG21 THR 89 HG21 THR 89 -1.815 1.528 -16.294 650 HG22 THR 89 HG22 THR 89 -3.466 0.983 -16.592 651 HG23 THR 89 HG23 THR 89 -2.114 -0.117 -16.857 652 H GLY 90 H GLY 90 -0.979 1.434 -12.803 653 HA2 GLY 90 HA2 GLY 90 0.242 3.624 -14.034 654 HA3 GLY 90 HA3 GLY 90 -0.585 4.219 -12.596 655 H LEU 91 H LEU 91 2.079 4.509 -12.565 656 HA LEU 91 HA LEU 91 3.126 2.176 -11.129 657 HB2 LEU 91 HB2 LEU 91 4.450 4.481 -12.520 658 HB3 LEU 91 HB3 LEU 91 5.321 3.558 -11.311 659 HG LEU 91 HG LEU 91 4.869 1.493 -12.680 660 HD11 LEU 91 HD11 LEU 91 4.028 3.493 -14.771 661 HD12 LEU 91 HD12 LEU 91 2.963 2.348 -13.955 662 HD13 LEU 91 HD13 LEU 91 4.251 1.759 -15.007 663 HD21 LEU 91 HD21 LEU 91 6.599 2.017 -14.353 664 HD22 LEU 91 HD22 LEU 91 7.025 2.573 -12.735 665 HD23 LEU 91 HD23 LEU 91 6.451 3.725 -13.941 666 H THR 92 H THR 92 3.958 2.325 -9.075 667 HA THR 92 HA THR 92 3.010 4.519 -7.463 668 HB THR 92 HB THR 92 2.865 2.377 -6.427 669 HG1 THR 92 HG1 THR 92 5.162 3.629 -5.287 670 HG21 THR 92 HG21 THR 92 5.811 2.040 -6.979 671 HG22 THR 92 HG22 THR 92 4.495 1.174 -7.770 672 HG23 THR 92 HG23 THR 92 4.808 0.922 -6.052 673 HA PRO 93 HA PRO 93 6.632 7.089 -7.627 674 HB2 PRO 93 HB2 PRO 93 6.025 7.603 -4.764 675 HB3 PRO 93 HB3 PRO 93 6.225 8.747 -6.097 676 HG2 PRO 93 HG2 PRO 93 3.809 8.218 -5.128 677 HG3 PRO 93 HG3 PRO 93 4.061 8.424 -6.873 678 HD2 PRO 93 HD2 PRO 93 3.708 5.906 -5.292 679 HD3 PRO 93 HD3 PRO 93 3.058 6.335 -6.887 680 H SER 94 H SER 94 8.757 7.169 -6.862 681 HA SER 94 HA SER 94 9.541 4.897 -5.155 682 HB2 SER 94 HB2 SER 94 11.776 5.153 -6.339 683 HB3 SER 94 HB3 SER 94 10.442 4.606 -7.355 684 HG SER 94 HG SER 94 10.491 6.429 -8.441 685 H GLY 95 H GLY 95 11.601 5.290 -3.902 686 HA2 GLY 95 HA2 GLY 95 13.042 7.320 -3.244 687 HA3 GLY 95 HA3 GLY 95 11.495 8.004 -2.765 688 H LYS 96 H LYS 96 13.213 7.980 -0.836 689 HA LYS 96 HA LYS 96 13.059 5.512 0.706 690 HB2 LYS 96 HB2 LYS 96 14.335 8.182 1.345 691 HB3 LYS 96 HB3 LYS 96 14.444 6.747 2.351 692 HG2 LYS 96 HG2 LYS 96 15.445 6.828 -0.481 693 HG3 LYS 96 HG3 LYS 96 16.437 7.262 0.909 694 HD2 LYS 96 HD2 LYS 96 15.915 4.988 1.859 695 HD3 LYS 96 HD3 LYS 96 15.185 4.591 0.302 696 HE2 LYS 96 HE2 LYS 96 17.292 5.001 -0.827 697 HE3 LYS 96 HE3 LYS 96 18.033 5.510 0.687 698 HZ1 LYS 96 HZ1 LYS 96 18.709 3.307 0.324 699 HZ2 LYS 96 HZ2 LYS 96 17.151 2.788 -0.086 700 HZ3 LYS 96 HZ3 LYS 96 17.511 3.204 1.520 701 H ALA 97 H ALA 97 11.441 5.137 2.060 702 HA ALA 97 HA ALA 97 10.119 7.422 3.362 703 HB1 ALA 97 HB1 ALA 97 8.675 6.679 1.538 704 HB2 ALA 97 HB2 ALA 97 7.945 6.332 3.106 705 HB3 ALA 97 HB3 ALA 97 8.700 5.036 2.177 706 H ALA 98 H ALA 98 9.413 7.052 5.459 707 HA ALA 98 HA ALA 98 10.773 4.891 6.807 708 HB1 ALA 98 HB1 ALA 98 10.022 5.968 8.868 709 HB2 ALA 98 HB2 ALA 98 9.043 7.095 7.929 710 HB3 ALA 98 HB3 ALA 98 10.801 7.124 7.788 711 H SER 99 H SER 99 9.930 3.030 7.356 712 HA SER 99 HA SER 99 7.040 2.712 7.618 713 HB2 SER 99 HB2 SER 99 7.591 2.240 5.241 714 HB3 SER 99 HB3 SER 99 8.727 1.001 5.769 715 HG SER 99 HG SER 99 6.006 0.953 6.531 716 H SER 100 H SER 100 6.591 1.470 9.326 717 HA SER 100 HA SER 100 8.716 -0.296 10.348 718 HB2 SER 100 HB2 SER 100 6.432 0.922 11.918 719 HB3 SER 100 HB3 SER 100 7.800 0.016 12.565 720 HG SER 100 HG SER 100 7.708 2.546 12.393 721 H LEU 101 H LEU 101 8.241 -2.438 10.595 722 HA LEU 101 HA LEU 101 5.611 -3.229 9.588 723 HB2 LEU 101 HB2 LEU 101 6.659 -5.431 9.142 724 HB3 LEU 101 HB3 LEU 101 7.366 -4.103 8.251 725 HG LEU 101 HG LEU 101 9.127 -4.127 10.211 726 HD11 LEU 101 HD11 LEU 101 7.968 -5.809 11.555 727 HD12 LEU 101 HD12 LEU 101 9.559 -6.375 11.045 728 HD13 LEU 101 HD13 LEU 101 8.110 -6.964 10.231 729 HD21 LEU 101 HD21 LEU 101 10.500 -5.665 8.884 730 HD22 LEU 101 HD22 LEU 101 9.639 -4.510 7.867 731 HD23 LEU 101 HD23 LEU 101 9.064 -6.172 7.997 732 H TYR 102 H TYR 102 4.273 -4.570 10.634 733 HA TYR 102 HA TYR 102 4.995 -5.298 13.390 734 HB2 TYR 102 HB2 TYR 102 2.998 -3.839 13.111 735 HB3 TYR 102 HB3 TYR 102 2.249 -5.088 12.123 736 HD1 TYR 102 HD2 TYR 102 3.384 -4.248 15.538 737 HD2 TYR 102 HD1 TYR 102 1.180 -6.976 13.127 738 HE1 TYR 102 HE2 TYR 102 2.451 -5.281 17.564 739 HE2 TYR 102 HE1 TYR 102 0.241 -8.011 15.150 740 HH TYR 102 HH TYR 102 0.845 -8.257 17.534 741 H ILE 103 H ILE 103 4.825 -7.416 14.055 742 HA ILE 103 HA ILE 103 4.358 -9.389 11.918 743 HB ILE 103 HB ILE 103 6.126 -9.643 14.361 744 HG12 ILE 103 HG12 ILE 103 6.844 -9.460 11.426 745 HG13 ILE 103 HG13 ILE 103 7.026 -8.158 12.596 746 HG21 ILE 103 HG21 ILE 103 5.118 -11.778 13.786 747 HG22 ILE 103 HG22 ILE 103 6.835 -11.782 13.381 748 HG23 ILE 103 HG23 ILE 103 5.631 -11.586 12.109 749 HD11 ILE 103 HD11 ILE 103 8.471 -10.800 12.647 750 HD12 ILE 103 HD12 ILE 103 8.646 -9.507 13.834 751 HD13 ILE 103 HD13 ILE 103 9.147 -9.243 12.163 752 H GLY 104 H GLY 104 2.488 -10.396 12.136 753 HA2 GLY 104 HA2 GLY 104 1.497 -12.115 13.784 754 HA3 GLY 104 HA3 GLY 104 1.325 -10.701 14.817 755 HA PRO 105 HA PRO 105 -2.539 -10.746 12.341 756 HB2 PRO 105 HB2 PRO 105 -4.246 -10.430 14.395 757 HB3 PRO 105 HB3 PRO 105 -3.604 -12.015 13.952 758 HG2 PRO 105 HG2 PRO 105 -2.803 -10.199 16.177 759 HG3 PRO 105 HG3 PRO 105 -2.926 -11.966 16.158 760 HD2 PRO 105 HD2 PRO 105 -0.569 -10.537 15.901 761 HD3 PRO 105 HD3 PRO 105 -0.805 -12.211 15.368 762 H TYR 106 H TYR 106 -4.367 -9.010 12.492 763 HA TYR 106 HA TYR 106 -2.979 -6.448 12.784 764 HB2 TYR 106 HB2 TYR 106 -4.021 -6.900 10.608 765 HB3 TYR 106 HB3 TYR 106 -5.583 -7.123 11.388 766 HD1 TYR 106 HD1 TYR 106 -2.951 -4.620 10.639 767 HD2 TYR 106 HD2 TYR 106 -6.969 -5.275 11.883 768 HE1 TYR 106 HE1 TYR 106 -3.416 -2.217 10.389 769 HE2 TYR 106 HE2 TYR 106 -7.443 -2.877 11.633 770 HH TYR 106 HH TYR 106 -6.126 -0.732 11.690 771 H GLY 107 H GLY 107 -3.548 -4.950 14.237 772 HA2 GLY 107 HA2 GLY 107 -6.135 -4.978 15.520 773 HA3 GLY 107 HA3 GLY 107 -4.802 -5.425 16.576 774 H GLU 108 H GLU 108 -3.507 -3.865 17.404 775 HA GLU 108 HA GLU 108 -4.426 -1.155 17.179 776 HB2 GLU 108 HB2 GLU 108 -3.700 -2.051 19.335 777 HB3 GLU 108 HB3 GLU 108 -2.089 -2.340 18.694 778 HG2 GLU 108 HG2 GLU 108 -2.232 -0.331 20.107 779 HG3 GLU 108 HG3 GLU 108 -1.698 0.016 18.464 780 H ILE 109 H ILE 109 -3.981 -0.203 15.288 781 HA ILE 109 HA ILE 109 -1.546 -0.662 13.851 782 HB ILE 109 HB ILE 109 -3.671 -0.218 12.687 783 HG12 ILE 109 HG12 ILE 109 -2.806 1.571 11.111 784 HG13 ILE 109 HG13 ILE 109 -1.435 1.754 12.200 785 HG21 ILE 109 HG21 ILE 109 -4.574 2.064 12.582 786 HG22 ILE 109 HG22 ILE 109 -3.422 2.555 13.826 787 HG23 ILE 109 HG23 ILE 109 -4.670 1.366 14.200 788 HD11 ILE 109 HD11 ILE 109 -0.873 -0.612 11.838 789 HD12 ILE 109 HD12 ILE 109 -0.846 0.334 10.349 790 HD13 ILE 109 HD13 ILE 109 -2.208 -0.732 10.694 791 H GLU 110 H GLU 110 -2.661 1.701 16.163 792 HA GLU 110 HA GLU 110 -0.796 3.729 15.379 793 HB2 GLU 110 HB2 GLU 110 -2.599 3.467 17.780 794 HB3 GLU 110 HB3 GLU 110 -1.543 4.849 17.510 795 HG2 GLU 110 HG2 GLU 110 -2.670 5.314 15.403 796 HG3 GLU 110 HG3 GLU 110 -3.724 3.922 15.654 797 H ALA 111 H ALA 111 -0.675 1.000 17.458 798 HA ALA 111 HA ALA 111 1.320 1.748 19.267 799 HB1 ALA 111 HB1 ALA 111 0.885 -0.978 18.044 800 HB2 ALA 111 HB2 ALA 111 0.035 -0.336 19.448 801 HB3 ALA 111 HB3 ALA 111 1.771 -0.629 19.529 802 H VAL 112 H VAL 112 1.602 0.339 16.020 803 HA VAL 112 HA VAL 112 4.484 0.642 16.055 804 HB VAL 112 HB VAL 112 3.448 -1.300 14.930 805 HG11 VAL 112 HG11 VAL 112 1.432 -0.256 14.074 806 HG12 VAL 112 HG12 VAL 112 2.330 -1.042 12.775 807 HG13 VAL 112 HG13 VAL 112 2.392 0.712 12.954 808 HG21 VAL 112 HG21 VAL 112 4.983 0.536 13.105 809 HG22 VAL 112 HG22 VAL 112 4.756 -1.194 12.852 810 HG23 VAL 112 HG23 VAL 112 5.659 -0.618 14.253 811 H TYR 113 H TYR 113 1.681 2.302 14.934 812 HA TYR 113 HA TYR 113 2.651 4.020 12.984 813 HB2 TYR 113 HB2 TYR 113 0.293 3.724 13.532 814 HB3 TYR 113 HB3 TYR 113 0.541 4.465 15.103 815 HD1 TYR 113 HD2 TYR 113 0.427 5.113 11.474 816 HD2 TYR 113 HD1 TYR 113 0.475 6.821 15.368 817 HE1 TYR 113 HE2 TYR 113 -0.228 7.282 10.525 818 HE2 TYR 113 HE1 TYR 113 -0.186 8.995 14.431 819 HH TYR 113 HH TYR 113 -0.208 10.199 12.388 820 H ASP 114 H ASP 114 2.768 4.315 16.506 821 HA ASP 114 HA ASP 114 3.693 6.895 16.832 822 HB2 ASP 114 HB2 ASP 114 3.180 5.548 18.755 823 HB3 ASP 114 HB3 ASP 114 4.428 4.379 18.338 824 H ALA 115 H ALA 115 5.556 4.011 16.012 825 HA ALA 115 HA ALA 115 8.116 5.123 16.323 826 HB1 ALA 115 HB1 ALA 115 8.929 3.191 15.126 827 HB2 ALA 115 HB2 ALA 115 7.311 2.855 14.509 828 HB3 ALA 115 HB3 ALA 115 7.645 2.706 16.234 829 H LEU 116 H LEU 116 5.821 5.409 13.740 830 HA LEU 116 HA LEU 116 7.762 6.057 11.726 831 HB2 LEU 116 HB2 LEU 116 4.768 6.215 11.826 832 HB3 LEU 116 HB3 LEU 116 5.673 6.880 10.478 833 HG LEU 116 HG LEU 116 5.007 4.751 9.767 834 HD11 LEU 116 HD11 LEU 116 7.098 3.468 9.600 835 HD12 LEU 116 HD12 LEU 116 7.818 4.526 10.814 836 HD13 LEU 116 HD13 LEU 116 7.316 5.184 9.257 837 HD21 LEU 116 HD21 LEU 116 5.340 2.701 11.074 838 HD22 LEU 116 HD22 LEU 116 4.271 3.843 11.890 839 HD23 LEU 116 HD23 LEU 116 5.945 3.670 12.418 840 H MET 117 H MET 117 5.519 7.952 13.726 841 HA MET 117 HA MET 117 6.427 10.432 12.623 842 HB2 MET 117 HB2 MET 117 5.087 11.514 14.332 843 HB3 MET 117 HB3 MET 117 4.177 10.206 13.595 844 HG2 MET 117 HG2 MET 117 3.662 9.885 15.784 845 HG3 MET 117 HG3 MET 117 5.072 8.841 15.639 846 HE1 MET 117 HE1 MET 117 5.311 10.376 19.273 847 HE2 MET 117 HE2 MET 117 5.212 8.884 18.338 848 HE3 MET 117 HE3 MET 117 3.833 9.985 18.392 849 H LYS 118 H LYS 118 7.383 8.351 15.196 850 HA LYS 118 HA LYS 118 9.176 10.161 16.496 851 HB2 LYS 118 HB2 LYS 118 8.146 8.179 17.572 852 HB3 LYS 118 HB3 LYS 118 9.064 7.136 16.501 853 HG2 LYS 118 HG2 LYS 118 11.128 7.811 17.527 854 HG3 LYS 118 HG3 LYS 118 10.285 9.016 18.511 855 HD2 LYS 118 HD2 LYS 118 9.019 7.248 19.616 856 HD3 LYS 118 HD3 LYS 118 9.812 6.035 18.612 857 HE2 LYS 118 HE2 LYS 118 11.255 7.878 20.505 858 HE3 LYS 118 HE3 LYS 118 10.739 6.243 20.916 859 HZ1 LYS 118 HZ1 LYS 118 12.096 5.470 18.997 860 HZ2 LYS 118 HZ2 LYS 118 12.996 6.147 20.261 861 HZ3 LYS 118 HZ3 LYS 118 12.715 7.040 18.846 862 H TRP 119 H TRP 119 9.281 8.164 13.717 863 HA TRP 119 HA TRP 119 12.024 7.586 13.456 864 HB2 TRP 119 HB2 TRP 119 9.749 6.935 12.118 865 HB3 TRP 119 HB3 TRP 119 10.447 8.095 11.005 866 HD1 TRP 119 HD1 TRP 119 10.100 4.709 10.988 867 HE1 TRP 119 HE1 TRP 119 12.100 3.413 10.029 868 HE3 TRP 119 HE3 TRP 119 13.712 8.310 11.414 869 HZ2 TRP 119 HZ2 TRP 119 14.834 3.833 9.538 870 HZ3 TRP 119 HZ3 TRP 119 15.986 7.773 10.669 871 HH2 TRP 119 HH2 TRP 119 16.541 5.581 9.750 872 H VAL 120 H VAL 120 10.039 10.218 12.136 873 HA VAL 120 HA VAL 120 11.817 11.245 10.292 874 HB VAL 120 HB VAL 120 9.475 11.898 10.421 875 HG11 VAL 120 HG11 VAL 120 8.710 13.600 11.987 876 HG12 VAL 120 HG12 VAL 120 10.277 13.554 12.794 877 HG13 VAL 120 HG13 VAL 120 9.231 12.135 12.821 878 HG21 VAL 120 HG21 VAL 120 11.001 13.265 9.130 879 HG22 VAL 120 HG22 VAL 120 11.390 14.213 10.567 880 HG23 VAL 120 HG23 VAL 120 9.766 14.275 9.882 881 H ASP 121 H ASP 121 11.584 11.974 13.707 882 HA ASP 121 HA ASP 121 13.178 14.201 13.947 883 HB2 ASP 121 HB2 ASP 121 12.018 13.301 15.850 884 HB3 ASP 121 HB3 ASP 121 12.948 11.809 15.774 885 H ASP 122 H ASP 122 14.273 10.815 13.941 886 HA ASP 122 HA ASP 122 17.054 11.607 13.847 887 HB2 ASP 122 HB2 ASP 122 16.485 9.581 15.049 888 HB3 ASP 122 HB3 ASP 122 15.717 8.905 13.616 889 H ASN 123 H ASN 123 14.545 10.705 11.640 890 HA ASN 123 HA ASN 123 16.084 9.733 9.499 891 HB2 ASN 123 HB2 ASN 123 13.530 9.635 9.928 892 HB3 ASN 123 HB3 ASN 123 13.488 11.200 9.124 893 HD21 ASN 123 HD21 ASN 123 13.804 7.812 8.756 894 HD22 ASN 123 HD22 ASN 123 13.865 7.779 7.032 895 H GLY 124 H GLY 124 14.979 13.002 10.300 896 HA2 GLY 124 HA2 GLY 124 15.988 15.016 9.716 897 HA3 GLY 124 HA3 GLY 124 17.119 14.128 8.711 898 H PHE 125 H PHE 125 14.264 12.981 7.740 899 HA PHE 125 HA PHE 125 14.147 14.827 5.475 900 HB2 PHE 125 HB2 PHE 125 13.662 11.976 5.884 901 HB3 PHE 125 HB3 PHE 125 12.383 12.754 4.965 902 HD1 PHE 125 HD2 PHE 125 12.941 13.921 2.836 903 HD2 PHE 125 HD1 PHE 125 15.775 11.537 4.932 904 HE1 PHE 125 HE2 PHE 125 14.311 13.771 0.802 905 HE2 PHE 125 HE1 PHE 125 17.153 11.385 2.896 906 HZ PHE 125 HZ PHE 125 16.421 12.500 0.829 907 H ASP 126 H ASP 126 11.847 15.072 4.528 908 HA ASP 126 HA ASP 126 9.687 14.686 6.400 909 HB2 ASP 126 HB2 ASP 126 8.830 16.936 6.377 910 HB3 ASP 126 HB3 ASP 126 10.491 16.984 6.948 911 H LEU 127 H LEU 127 8.047 13.896 5.371 912 HA LEU 127 HA LEU 127 7.505 14.609 2.584 913 HB2 LEU 127 HB2 LEU 127 7.837 11.792 3.632 914 HB3 LEU 127 HB3 LEU 127 6.913 12.146 2.193 915 HG LEU 127 HG LEU 127 8.993 11.389 1.439 916 HD11 LEU 127 HD11 LEU 127 9.038 14.393 1.347 917 HD12 LEU 127 HD12 LEU 127 8.228 13.311 0.216 918 HD13 LEU 127 HD13 LEU 127 9.988 13.326 0.314 919 HD21 LEU 127 HD21 LEU 127 10.217 11.561 3.540 920 HD22 LEU 127 HD22 LEU 127 10.337 13.309 3.330 921 HD23 LEU 127 HD23 LEU 127 11.144 12.226 2.194 922 H SER 128 H SER 128 5.470 15.346 2.631 923 HA SER 128 HA SER 128 3.574 14.001 4.445 924 HB2 SER 128 HB2 SER 128 3.565 16.865 3.458 925 HB3 SER 128 HB3 SER 128 2.318 16.136 4.471 926 HG SER 128 HG SER 128 4.588 15.621 5.663 927 H GLY 129 H GLY 129 4.255 13.088 1.835 928 HA2 GLY 129 HA2 GLY 129 2.275 13.936 -0.050 929 HA3 GLY 129 HA3 GLY 129 3.331 12.540 -0.202 930 H GLU 130 H GLU 130 2.736 10.648 1.241 931 HA GLU 130 HA GLU 130 -0.048 10.514 2.020 932 HB2 GLU 130 HB2 GLU 130 -0.759 8.827 0.558 933 HB3 GLU 130 HB3 GLU 130 0.102 9.947 -0.484 934 HG2 GLU 130 HG2 GLU 130 1.388 7.494 0.670 935 HG3 GLU 130 HG3 GLU 130 0.510 7.484 -0.856 936 H ALA 131 H ALA 131 -0.570 8.365 2.978 937 HA ALA 131 HA ALA 131 1.758 7.162 4.298 938 HB1 ALA 131 HB1 ALA 131 0.110 6.032 5.713 939 HB2 ALA 131 HB2 ALA 131 -1.198 6.747 4.769 940 HB3 ALA 131 HB3 ALA 131 -0.131 7.781 5.722 941 H TYR 132 H TYR 132 2.189 4.946 4.105 942 HA TYR 132 HA TYR 132 1.005 3.696 1.710 943 HB2 TYR 132 HB2 TYR 132 3.181 4.618 1.155 944 HB3 TYR 132 HB3 TYR 132 3.911 3.819 2.537 945 HD1 TYR 132 HD1 TYR 132 2.302 3.189 -0.751 946 HD2 TYR 132 HD2 TYR 132 4.749 1.637 2.364 947 HE1 TYR 132 HE1 TYR 132 2.888 1.268 -2.173 948 HE2 TYR 132 HE2 TYR 132 5.332 -0.287 0.956 949 HH TYR 132 HH TYR 132 4.613 -0.385 -2.392 950 H GLU 133 H GLU 133 -0.066 1.948 2.323 951 HA GLU 133 HA GLU 133 1.070 0.234 4.437 952 HB2 GLU 133 HB2 GLU 133 -1.542 1.363 4.084 953 HB3 GLU 133 HB3 GLU 133 -1.667 -0.385 3.966 954 HG2 GLU 133 HG2 GLU 133 -0.236 0.960 6.229 955 HG3 GLU 133 HG3 GLU 133 -1.973 0.659 6.254 956 H ILE 134 H ILE 134 0.786 -2.093 4.132 957 HA ILE 134 HA ILE 134 0.103 -2.916 1.398 958 HB ILE 134 HB ILE 134 2.029 -4.432 1.241 959 HG12 ILE 134 HG12 ILE 134 3.209 -2.955 3.593 960 HG13 ILE 134 HG13 ILE 134 2.430 -4.527 3.735 961 HG21 ILE 134 HG21 ILE 134 2.787 -1.541 1.594 962 HG22 ILE 134 HG22 ILE 134 2.150 -2.291 0.129 963 HG23 ILE 134 HG23 ILE 134 3.741 -2.753 0.737 964 HD11 ILE 134 HD11 ILE 134 4.818 -4.790 3.620 965 HD12 ILE 134 HD12 ILE 134 4.877 -3.880 2.110 966 HD13 ILE 134 HD13 ILE 134 4.077 -5.451 2.162 967 H TYR 135 H TYR 135 -0.703 -5.003 1.227 968 HA TYR 135 HA TYR 135 -0.850 -6.494 3.756 969 HB2 TYR 135 HB2 TYR 135 -3.124 -6.011 1.825 970 HB3 TYR 135 HB3 TYR 135 -3.177 -7.192 3.134 971 HD1 TYR 135 HD2 TYR 135 -2.604 -6.251 5.512 972 HD2 TYR 135 HD1 TYR 135 -3.874 -3.846 2.240 973 HE1 TYR 135 HE2 TYR 135 -3.267 -4.484 7.077 974 HE2 TYR 135 HE1 TYR 135 -4.536 -2.066 3.801 975 HH TYR 135 HH TYR 135 -3.481 -1.894 6.897 976 H LEU 136 H LEU 136 -0.170 -8.476 3.641 977 HA LEU 136 HA LEU 136 0.912 -9.403 1.141 978 HB2 LEU 136 HB2 LEU 136 1.141 -10.214 4.002 979 HB3 LEU 136 HB3 LEU 136 1.582 -11.376 2.770 980 HG LEU 136 HG LEU 136 3.525 -10.141 3.642 981 HD11 LEU 136 HD11 LEU 136 2.884 -9.565 0.756 982 HD12 LEU 136 HD12 LEU 136 3.611 -11.041 1.393 983 HD13 LEU 136 HD13 LEU 136 4.490 -9.513 1.484 984 HD21 LEU 136 HD21 LEU 136 2.200 -7.727 2.417 985 HD22 LEU 136 HD22 LEU 136 3.831 -7.785 3.087 986 HD23 LEU 136 HD23 LEU 136 2.434 -8.020 4.140 987 H ASP 137 H ASP 137 0.803 -12.203 1.823 988 HA ASP 137 HA ASP 137 -1.346 -13.003 0.246 989 HB2 ASP 137 HB2 ASP 137 0.238 -14.646 2.236 990 HB3 ASP 137 HB3 ASP 137 -0.763 -15.294 0.941 991 H ASN 138 H ASN 138 -3.203 -14.238 0.745 992 HA ASN 138 HA ASN 138 -4.796 -13.217 2.823 993 HB2 ASN 138 HB2 ASN 138 -5.555 -14.277 0.637 994 HB3 ASN 138 HB3 ASN 138 -5.214 -15.840 1.367 995 HD21 ASN 138 HD21 ASN 138 -6.558 -16.615 2.999 996 HD22 ASN 138 HD22 ASN 138 -8.122 -15.929 3.293 997 HA PRO 139 HA PRO 139 -3.444 -15.583 6.308 998 HB2 PRO 139 HB2 PRO 139 -5.741 -15.560 7.790 999 HB3 PRO 139 HB3 PRO 139 -4.638 -14.185 7.666 1000 HG2 PRO 139 HG2 PRO 139 -7.192 -14.708 6.194 1001 HG3 PRO 139 HG3 PRO 139 -6.602 -13.196 6.910 1002 HD2 PRO 139 HD2 PRO 139 -6.433 -13.677 4.270 1003 HD3 PRO 139 HD3 PRO 139 -5.180 -12.766 5.139 1004 H ALA 140 H ALA 140 -4.302 -17.396 7.775 1005 HA ALA 140 HA ALA 140 -5.045 -19.504 8.141 1006 HB1 ALA 140 HB1 ALA 140 -6.833 -20.484 6.829 1007 HB2 ALA 140 HB2 ALA 140 -6.674 -19.210 5.621 1008 HB3 ALA 140 HB3 ALA 140 -7.223 -18.817 7.249 1009 H GLU 141 H GLU 141 -4.108 -18.722 4.859 1010 HA GLU 141 HA GLU 141 -3.111 -21.318 4.218 1011 HB2 GLU 141 HB2 GLU 141 -3.791 -19.685 2.503 1012 HB3 GLU 141 HB3 GLU 141 -2.482 -18.622 2.995 1013 HG2 GLU 141 HG2 GLU 141 -0.852 -20.303 2.297 1014 HG3 GLU 141 HG3 GLU 141 -2.167 -21.373 1.813 1015 H THR 142 H THR 142 -1.704 -18.333 5.459 1016 HA THR 142 HA THR 142 0.746 -19.828 6.075 1017 HB THR 142 HB THR 142 1.215 -18.314 4.215 1018 HG1 THR 142 HG1 THR 142 3.074 -17.916 5.126 1019 HG21 THR 142 HG21 THR 142 1.064 -15.872 4.511 1020 HG22 THR 142 HG22 THR 142 0.272 -16.123 6.068 1021 HG23 THR 142 HG23 THR 142 -0.519 -16.648 4.581 1022 H ALA 143 H ALA 143 2.036 -18.701 7.825 1023 HA ALA 143 HA ALA 143 0.262 -18.320 10.073 1024 HB1 ALA 143 HB1 ALA 143 2.272 -18.432 11.426 1025 HB2 ALA 143 HB2 ALA 143 3.276 -18.329 9.981 1026 HB3 ALA 143 HB3 ALA 143 2.261 -19.745 10.249 1027 HA PRO 144 HA PRO 144 0.168 -13.918 10.319 1028 HB2 PRO 144 HB2 PRO 144 0.761 -14.260 13.216 1029 HB3 PRO 144 HB3 PRO 144 -0.572 -13.405 12.433 1030 HG2 PRO 144 HG2 PRO 144 -0.982 -15.758 13.589 1031 HG3 PRO 144 HG3 PRO 144 -1.774 -15.355 12.055 1032 HD2 PRO 144 HD2 PRO 144 0.592 -17.115 12.562 1033 HD3 PRO 144 HD3 PRO 144 -0.748 -17.329 11.416 1034 H ASP 145 H ASP 145 2.877 -15.658 11.686 1035 HA ASP 145 HA ASP 145 4.569 -13.444 12.168 1036 HB2 ASP 145 HB2 ASP 145 5.164 -16.356 11.647 1037 HB3 ASP 145 HB3 ASP 145 6.422 -15.175 11.991 1038 H GLN 146 H GLN 146 3.629 -15.078 9.280 1039 HA GLN 146 HA GLN 146 5.838 -13.901 7.769 1040 HB2 GLN 146 HB2 GLN 146 3.660 -15.820 6.925 1041 HB3 GLN 146 HB3 GLN 146 4.917 -15.204 5.858 1042 HG2 GLN 146 HG2 GLN 146 6.623 -16.227 7.278 1043 HG3 GLN 146 HG3 GLN 146 5.360 -16.850 8.339 1044 HE21 GLN 146 HE21 GLN 146 5.957 -18.964 8.000 1045 HE22 GLN 146 HE22 GLN 146 5.642 -19.798 6.518 1046 H LEU 147 H LEU 147 2.704 -13.155 8.709 1047 HA LEU 147 HA LEU 147 2.054 -11.508 6.436 1048 HB2 LEU 147 HB2 LEU 147 0.831 -11.963 9.124 1049 HB3 LEU 147 HB3 LEU 147 0.396 -10.522 8.230 1050 HG LEU 147 HG LEU 147 -1.268 -12.212 7.863 1051 HD11 LEU 147 HD11 LEU 147 -0.758 -10.757 5.991 1052 HD12 LEU 147 HD12 LEU 147 -1.219 -12.364 5.427 1053 HD13 LEU 147 HD13 LEU 147 0.480 -11.882 5.431 1054 HD21 LEU 147 HD21 LEU 147 0.975 -13.968 6.872 1055 HD22 LEU 147 HD22 LEU 147 -0.744 -14.349 6.791 1056 HD23 LEU 147 HD23 LEU 147 0.050 -14.192 8.356 1057 H ARG 148 H ARG 148 4.140 -10.435 6.415 1058 HA ARG 148 HA ARG 148 4.813 -8.683 8.590 1059 HB2 ARG 148 HB2 ARG 148 6.666 -7.964 7.096 1060 HB3 ARG 148 HB3 ARG 148 6.598 -9.707 7.317 1061 HG2 ARG 148 HG2 ARG 148 5.211 -9.646 5.106 1062 HG3 ARG 148 HG3 ARG 148 5.994 -8.079 4.896 1063 HD2 ARG 148 HD2 ARG 148 7.344 -9.685 3.784 1064 HD3 ARG 148 HD3 ARG 148 8.191 -9.237 5.265 1065 HE ARG 148 HE ARG 148 7.366 -11.344 6.231 1066 HH11 ARG 148 HH11 ARG 148 7.422 -11.010 2.741 1067 HH12 ARG 148 HH12 ARG 148 7.410 -12.721 2.453 1068 HH21 ARG 148 HH21 ARG 148 7.357 -13.584 5.856 1069 HH22 ARG 148 HH22 ARG 148 7.385 -14.189 4.223 1070 H THR 149 H THR 149 3.453 -7.065 8.930 1071 HA THR 149 HA THR 149 2.389 -5.601 6.619 1072 HB THR 149 HB THR 149 1.449 -5.399 9.483 1073 HG1 THR 149 HG1 THR 149 1.290 -7.581 8.574 1074 HG21 THR 149 HG21 THR 149 0.747 -3.575 8.027 1075 HG22 THR 149 HG22 THR 149 -0.632 -4.604 8.418 1076 HG23 THR 149 HG23 THR 149 0.148 -4.730 6.841 1077 H ARG 150 H ARG 150 3.923 -4.111 6.127 1078 HA ARG 150 HA ARG 150 5.027 -2.510 8.315 1079 HB2 ARG 150 HB2 ARG 150 6.738 -1.769 6.748 1080 HB3 ARG 150 HB3 ARG 150 6.675 -3.524 6.797 1081 HG2 ARG 150 HG2 ARG 150 5.569 -3.620 4.698 1082 HG3 ARG 150 HG3 ARG 150 5.325 -1.874 4.683 1083 HD2 ARG 150 HD2 ARG 150 7.779 -1.578 4.625 1084 HD3 ARG 150 HD3 ARG 150 7.958 -3.329 4.513 1085 HE ARG 150 HE ARG 150 6.257 -2.213 2.487 1086 HH11 ARG 150 HH11 ARG 150 9.543 -2.979 3.384 1087 HH12 ARG 150 HH12 ARG 150 10.126 -3.007 1.743 1088 HH21 ARG 150 HH21 ARG 150 7.001 -2.261 0.318 1089 HH22 ARG 150 HH22 ARG 150 8.670 -2.625 -0.012 1090 H VAL 151 H VAL 151 3.979 -0.725 8.751 1091 HA VAL 151 HA VAL 151 2.494 0.599 6.620 1092 HB VAL 151 HB VAL 151 1.325 0.169 8.752 1093 HG11 VAL 151 HG11 VAL 151 3.166 0.391 10.310 1094 HG12 VAL 151 HG12 VAL 151 1.859 1.492 10.748 1095 HG13 VAL 151 HG13 VAL 151 3.299 2.111 9.940 1096 HG21 VAL 151 HG21 VAL 151 1.712 3.089 8.120 1097 HG22 VAL 151 HG22 VAL 151 0.360 2.399 9.022 1098 HG23 VAL 151 HG23 VAL 151 0.592 1.985 7.322 1099 H SER 152 H SER 152 3.303 2.256 5.587 1100 HA SER 152 HA SER 152 5.658 3.607 6.708 1101 HB2 SER 152 HB2 SER 152 5.877 2.525 4.457 1102 HB3 SER 152 HB3 SER 152 4.642 3.627 3.851 1103 HG SER 152 HG SER 152 6.816 4.758 5.179 1104 H LEU 153 H LEU 153 5.604 5.769 7.137 1105 HA LEU 153 HA LEU 153 2.994 7.052 6.636 1106 HB2 LEU 153 HB2 LEU 153 4.568 6.873 9.145 1107 HB3 LEU 153 HB3 LEU 153 3.652 8.333 8.848 1108 HG LEU 153 HG LEU 153 2.305 6.937 10.208 1109 HD11 LEU 153 HD11 LEU 153 1.370 6.708 7.356 1110 HD12 LEU 153 HD12 LEU 153 1.083 8.059 8.452 1111 HD13 LEU 153 HD13 LEU 153 0.361 6.486 8.785 1112 HD21 LEU 153 HD21 LEU 153 1.711 4.642 9.608 1113 HD22 LEU 153 HD22 LEU 153 3.447 4.829 9.858 1114 HD23 LEU 153 HD23 LEU 153 2.797 4.730 8.222 1115 H MET 154 H MET 154 3.354 9.476 7.531 1116 HA MET 154 HA MET 154 5.085 10.620 5.524 1117 HB2 MET 154 HB2 MET 154 3.109 11.879 7.437 1118 HB3 MET 154 HB3 MET 154 3.996 12.754 6.200 1119 HG2 MET 154 HG2 MET 154 1.803 12.355 5.390 1120 HG3 MET 154 HG3 MET 154 2.908 11.321 4.490 1121 HE1 MET 154 HE1 MET 154 0.348 11.452 7.471 1122 HE2 MET 154 HE2 MET 154 1.759 10.668 8.181 1123 HE3 MET 154 HE3 MET 154 0.273 9.752 7.934 1124 H LEU 155 H LEU 155 7.065 11.256 5.946 1125 HA LEU 155 HA LEU 155 8.175 11.473 8.531 1126 HB2 LEU 155 HB2 LEU 155 9.086 12.535 5.857 1127 HB3 LEU 155 HB3 LEU 155 10.010 12.768 7.326 1128 HG LEU 155 HG LEU 155 10.980 10.949 6.136 1129 HD11 LEU 155 HD11 LEU 155 10.754 9.109 7.734 1130 HD12 LEU 155 HD12 LEU 155 9.336 9.897 8.429 1131 HD13 LEU 155 HD13 LEU 155 10.918 10.671 8.534 1132 HD21 LEU 155 HD21 LEU 155 9.105 10.364 4.700 1133 HD22 LEU 155 HD22 LEU 155 8.244 9.679 6.080 1134 HD23 LEU 155 HD23 LEU 155 9.741 8.934 5.516 1135 H HIS 156 H HIS 156 7.740 12.952 9.984 1136 HA HIS 156 HA HIS 156 7.376 14.940 11.018 1137 HB2 HIS 156 HB2 HIS 156 8.905 15.992 9.375 1138 HB3 HIS 156 HB3 HIS 156 7.551 16.215 8.275 1139 HD1 HIS 156 HD1 HIS 156 6.268 18.343 8.501 1140 HD2 HIS 156 HD2 HIS 156 8.635 17.546 11.833 1141 HE1 HIS 156 HE1 HIS 156 6.080 20.376 9.978 1142 HE2 HIS 156 HE2 HIS 156 7.567 19.898 11.957 1143 H GLU 157 H GLU 157 5.564 15.835 11.749 1144 HA GLU 157 HA GLU 157 3.388 16.436 11.971 1145 HB2 GLU 157 HB2 GLU 157 3.478 17.552 9.794 1146 HB3 GLU 157 HB3 GLU 157 3.178 16.022 8.982 1147 HG2 GLU 157 HG2 GLU 157 1.061 16.155 10.684 1148 HG3 GLU 157 HG3 GLU 157 1.314 17.855 10.294 1149 H SER 158 H SER 158 2.951 14.152 9.306 1150 HA SER 158 HA SER 158 1.787 12.222 9.128 1151 HB2 SER 158 HB2 SER 158 3.679 11.437 10.562 1152 HB3 SER 158 HB3 SER 158 2.680 11.733 11.982 1153 HG SER 158 HG SER 158 1.137 10.242 10.957 1154 H LEU 159 H LEU 159 0.116 14.200 9.432 1155 HA LEU 159 HA LEU 159 -1.966 14.842 10.040 1156 HB2 LEU 159 HB2 LEU 159 -2.093 11.887 10.457 1157 HB3 LEU 159 HB3 LEU 159 -3.443 12.876 10.975 1158 HG LEU 159 HG LEU 159 -3.951 12.023 8.810 1159 HD11 LEU 159 HD11 LEU 159 -3.093 14.899 8.554 1160 HD12 LEU 159 HD12 LEU 159 -4.625 14.325 9.217 1161 HD13 LEU 159 HD13 LEU 159 -4.248 14.063 7.513 1162 HD21 LEU 159 HD21 LEU 159 -1.741 11.433 8.048 1163 HD22 LEU 159 HD22 LEU 159 -1.296 13.135 7.926 1164 HD23 LEU 159 HD23 LEU 159 -2.524 12.466 6.851 1165 H GLU 160 H GLU 160 -2.156 12.429 12.527 1166 HA GLU 160 HA GLU 160 -1.857 14.516 14.546 1167 HB2 GLU 160 HB2 GLU 160 -4.243 14.064 14.197 1168 HB3 GLU 160 HB3 GLU 160 -3.967 12.350 14.489 1169 HG2 GLU 160 HG2 GLU 160 -3.149 12.991 16.785 1170 HG3 GLU 160 HG3 GLU 160 -3.746 14.615 16.453 1171 H HIS 161 H HIS 161 0.190 13.848 15.167 1172 HA HIS 161 HA HIS 161 0.523 11.168 16.183 1173 HB2 HIS 161 HB2 HIS 161 2.690 12.050 17.136 1174 HB3 HIS 161 HB3 HIS 161 2.550 12.139 15.389 1175 HD1 HIS 161 HD1 HIS 161 3.658 14.068 18.170 1176 HD2 HIS 161 HD2 HIS 161 1.704 14.938 14.596 1177 HE1 HIS 161 HE1 HIS 161 4.046 16.517 17.754 1178 HE2 HIS 161 HE2 HIS 161 3.064 16.954 15.477 1179 H HIS 162 H HIS 162 -1.000 10.813 17.648 1180 HA HIS 162 HA HIS 162 -2.138 12.797 19.276 1181 HB2 HIS 162 HB2 HIS 162 -3.137 10.583 18.444 1182 HB3 HIS 162 HB3 HIS 162 -2.321 9.838 19.812 1183 HD1 HIS 162 HD1 HIS 162 -5.326 11.747 18.871 1184 HD2 HIS 162 HD2 HIS 162 -3.340 10.688 22.374 1185 HE1 HIS 162 HE1 HIS 162 -6.971 12.141 20.738 1186 HE2 HIS 162 HE2 HIS 162 -5.677 11.683 22.855 1187 H HIS 163 H HIS 163 -1.745 13.500 21.280 1188 HA HIS 163 HA HIS 163 0.236 12.015 22.876 1189 HB2 HIS 163 HB2 HIS 163 0.736 14.083 24.073 1190 HB3 HIS 163 HB3 HIS 163 0.961 14.314 22.347 1191 HD1 HIS 163 HD1 HIS 163 -0.756 15.682 25.262 1192 HD2 HIS 163 HD2 HIS 163 -1.151 15.901 21.129 1193 HE1 HIS 163 HE1 HIS 163 -2.236 17.666 24.827 1194 HE2 HIS 163 HE2 HIS 163 -2.643 17.636 22.341 1195 H HIS 164 H HIS 164 -0.664 10.776 24.334 1196 HA HIS 164 HA HIS 164 -3.103 11.744 25.690 1197 HB2 HIS 164 HB2 HIS 164 -3.377 9.750 24.138 1198 HB3 HIS 164 HB3 HIS 164 -2.361 8.846 25.252 1199 HD1 HIS 164 HD1 HIS 164 -4.104 7.211 26.058 1200 HD2 HIS 164 HD2 HIS 164 -5.305 11.176 26.445 1201 HE1 HIS 164 HE1 HIS 164 -6.239 7.153 27.382 1202 HE2 HIS 164 HE2 HIS 164 -7.067 9.529 27.366 1203 H HIS 165 H HIS 165 -2.262 12.575 27.528 1204 HA HIS 165 HA HIS 165 -0.180 11.039 28.914 1205 HB2 HIS 165 HB2 HIS 165 0.426 13.330 28.264 1206 HB3 HIS 165 HB3 HIS 165 -0.934 13.954 29.188 1207 HD1 HIS 165 HD1 HIS 165 -0.561 14.396 31.624 1208 HD2 HIS 165 HD2 HIS 165 2.509 12.173 29.908 1209 HE1 HIS 165 HE1 HIS 165 1.240 14.256 33.377 1210 HE2 HIS 165 HE2 HIS 165 3.136 12.996 32.277 1211 H HIS 166 H HIS 166 -0.645 10.054 30.737 1212 HA HIS 166 HA HIS 166 -3.029 10.867 32.246 1213 HB2 HIS 166 HB2 HIS 166 -3.110 8.532 31.589 1214 HB3 HIS 166 HB3 HIS 166 -1.494 8.254 32.231 1215 HD1 HIS 166 HD1 HIS 166 -1.607 6.981 34.327 1216 HD2 HIS 166 HD2 HIS 166 -4.816 9.599 33.961 1217 HE1 HIS 166 HE1 HIS 166 -2.958 6.693 36.424 1218 HE2 HIS 166 HE2 HIS 166 -4.775 8.428 36.270 Start of MODEL 15 1 H1 MET 1 H1 MET 1 4.348 -16.338 17.064 2 H2 MET 1 H2 MET 1 2.974 -16.735 17.974 3 H3 MET 1 H3 MET 1 4.230 -17.856 17.795 4 HA MET 1 HA MET 1 4.584 -15.241 19.113 5 HB2 MET 1 HB2 MET 1 4.467 -16.456 21.247 6 HB3 MET 1 HB3 MET 1 2.944 -16.560 20.375 7 HG2 MET 1 HG2 MET 1 3.526 -18.814 19.627 8 HG3 MET 1 HG3 MET 1 5.055 -18.708 20.495 9 HE1 MET 1 HE1 MET 1 0.926 -18.748 22.556 10 HE2 MET 1 HE2 MET 1 1.142 -18.898 20.812 11 HE3 MET 1 HE3 MET 1 1.523 -17.378 21.622 12 H ASP 2 H ASP 2 6.660 -14.905 19.841 13 HA ASP 2 HA ASP 2 8.492 -16.979 20.348 14 HB2 ASP 2 HB2 ASP 2 8.457 -17.056 17.816 15 HB3 ASP 2 HB3 ASP 2 9.180 -15.448 17.836 16 H PHE 3 H PHE 3 8.571 -13.678 18.989 17 HA PHE 3 HA PHE 3 9.751 -12.689 21.441 18 HB2 PHE 3 HB2 PHE 3 11.733 -11.748 20.388 19 HB3 PHE 3 HB3 PHE 3 11.712 -13.491 20.162 20 HD1 PHE 3 HD1 PHE 3 10.965 -14.401 17.922 21 HD2 PHE 3 HD2 PHE 3 11.875 -10.294 18.561 22 HE1 PHE 3 HE1 PHE 3 11.261 -14.094 15.501 23 HE2 PHE 3 HE2 PHE 3 12.168 -9.981 16.140 24 HZ PHE 3 HZ PHE 3 11.863 -11.880 14.607 25 H GLU 4 H GLU 4 9.968 -10.334 21.434 26 HA GLU 4 HA GLU 4 7.953 -9.074 19.707 27 HB2 GLU 4 HB2 GLU 4 9.254 -8.051 22.238 28 HB3 GLU 4 HB3 GLU 4 8.000 -7.224 21.331 29 HG2 GLU 4 HG2 GLU 4 6.454 -9.059 21.821 30 HG3 GLU 4 HG3 GLU 4 7.720 -9.853 22.760 31 H CYS 5 H CYS 5 8.966 -8.432 17.867 32 HA CYS 5 HA CYS 5 11.467 -6.941 18.133 33 HB2 CYS 5 HB2 CYS 5 11.140 -8.718 16.331 34 HB3 CYS 5 HB3 CYS 5 10.026 -7.592 15.561 35 HG CYS 5 HG CYS 5 13.331 -6.948 16.187 36 H GLN 6 H GLN 6 11.211 -4.887 18.630 37 HA GLN 6 HA GLN 6 8.703 -3.573 18.316 38 HB2 GLN 6 HB2 GLN 6 11.374 -2.587 19.301 39 HB3 GLN 6 HB3 GLN 6 9.919 -1.601 19.285 40 HG2 GLN 6 HG2 GLN 6 10.273 -4.180 20.798 41 HG3 GLN 6 HG3 GLN 6 10.349 -2.559 21.486 42 HE21 GLN 6 HE21 GLN 6 8.457 -1.339 21.660 43 HE22 GLN 6 HE22 GLN 6 6.888 -2.076 21.577 44 H PHE 7 H PHE 7 8.466 -3.674 16.059 45 HA PHE 7 HA PHE 7 8.450 -2.843 13.971 46 HB2 PHE 7 HB2 PHE 7 8.337 -0.240 14.003 47 HB3 PHE 7 HB3 PHE 7 7.058 -1.198 14.729 48 HD1 PHE 7 HD1 PHE 7 9.942 0.975 15.413 49 HD2 PHE 7 HD2 PHE 7 6.643 -1.137 17.071 50 HE1 PHE 7 HE1 PHE 7 10.222 2.201 17.527 51 HE2 PHE 7 HE2 PHE 7 6.913 0.085 19.186 52 HZ PHE 7 HZ PHE 7 8.708 1.761 19.416 53 H VAL 8 H VAL 8 10.288 -3.591 13.013 54 HA VAL 8 HA VAL 8 12.805 -2.295 13.140 55 HB VAL 8 HB VAL 8 11.723 -3.932 10.836 56 HG11 VAL 8 HG11 VAL 8 14.062 -4.389 10.342 57 HG12 VAL 8 HG12 VAL 8 14.559 -3.387 11.706 58 HG13 VAL 8 HG13 VAL 8 13.748 -2.653 10.323 59 HG21 VAL 8 HG21 VAL 8 11.521 -5.181 12.918 60 HG22 VAL 8 HG22 VAL 8 13.216 -4.861 13.286 61 HG23 VAL 8 HG23 VAL 8 12.787 -5.861 11.897 62 H CYS 9 H CYS 9 12.959 -0.197 12.646 63 HA CYS 9 HA CYS 9 11.484 0.798 10.310 64 HB2 CYS 9 HB2 CYS 9 11.901 3.064 11.539 65 HB3 CYS 9 HB3 CYS 9 10.622 1.991 12.099 66 HG CYS 9 HG CYS 9 11.890 1.088 14.317 67 H GLU 10 H GLU 10 12.716 1.051 8.614 68 HA GLU 10 HA GLU 10 15.209 2.523 8.844 69 HB2 GLU 10 HB2 GLU 10 15.831 0.113 9.073 70 HB3 GLU 10 HB3 GLU 10 15.114 -0.184 7.496 71 HG2 GLU 10 HG2 GLU 10 17.551 0.014 7.399 72 HG3 GLU 10 HG3 GLU 10 16.740 1.254 6.444 73 H LEU 11 H LEU 11 15.752 3.592 6.928 74 HA LEU 11 HA LEU 11 13.582 3.622 4.981 75 HB2 LEU 11 HB2 LEU 11 14.928 5.683 4.162 76 HB3 LEU 11 HB3 LEU 11 13.891 5.806 5.559 77 HG LEU 11 HG LEU 11 15.964 5.506 6.980 78 HD11 LEU 11 HD11 LEU 11 17.425 4.523 5.285 79 HD12 LEU 11 HD12 LEU 11 18.114 6.007 5.943 80 HD13 LEU 11 HD13 LEU 11 17.353 6.016 4.351 81 HD21 LEU 11 HD21 LEU 11 14.898 7.662 6.606 82 HD22 LEU 11 HD22 LEU 11 15.838 7.878 5.129 83 HD23 LEU 11 HD23 LEU 11 16.652 7.825 6.693 84 H LYS 12 H LYS 12 13.817 3.057 2.911 85 HA LYS 12 HA LYS 12 16.432 2.916 1.737 86 HB2 LYS 12 HB2 LYS 12 16.190 0.551 0.993 87 HB3 LYS 12 HB3 LYS 12 16.442 0.736 2.721 88 HG2 LYS 12 HG2 LYS 12 14.091 0.329 3.138 89 HG3 LYS 12 HG3 LYS 12 13.780 0.238 1.401 90 HD2 LYS 12 HD2 LYS 12 15.224 -1.699 1.215 91 HD3 LYS 12 HD3 LYS 12 15.638 -1.584 2.925 92 HE2 LYS 12 HE2 LYS 12 13.339 -2.060 3.538 93 HE3 LYS 12 HE3 LYS 12 12.871 -2.091 1.837 94 HZ1 LYS 12 HZ1 LYS 12 13.230 -4.322 2.828 95 HZ2 LYS 12 HZ2 LYS 12 14.865 -3.931 3.048 96 HZ3 LYS 12 HZ3 LYS 12 14.215 -4.011 1.484 97 H GLU 13 H GLU 13 16.260 2.095 -0.560 98 HA GLU 13 HA GLU 13 14.239 3.700 -1.814 99 HB2 GLU 13 HB2 GLU 13 15.441 2.807 -3.934 100 HB3 GLU 13 HB3 GLU 13 16.280 3.936 -2.882 101 HG2 GLU 13 HG2 GLU 13 16.635 0.982 -2.560 102 HG3 GLU 13 HG3 GLU 13 17.538 1.885 -3.772 103 H LEU 14 H LEU 14 12.320 3.002 -2.225 104 HA LEU 14 HA LEU 14 11.703 0.181 -2.371 105 HB2 LEU 14 HB2 LEU 14 9.824 2.472 -2.908 106 HB3 LEU 14 HB3 LEU 14 9.420 0.845 -2.395 107 HG LEU 14 HG LEU 14 10.794 2.945 -0.720 108 HD11 LEU 14 HD11 LEU 14 8.723 2.904 0.578 109 HD12 LEU 14 HD12 LEU 14 8.028 1.764 -0.574 110 HD13 LEU 14 HD13 LEU 14 8.440 3.398 -1.091 111 HD21 LEU 14 HD21 LEU 14 11.588 0.694 -0.169 112 HD22 LEU 14 HD22 LEU 14 9.922 0.151 0.021 113 HD23 LEU 14 HD23 LEU 14 10.587 1.357 1.122 114 H ALA 15 H ALA 15 10.984 -0.914 -4.190 115 HA ALA 15 HA ALA 15 11.707 0.302 -6.732 116 HB1 ALA 15 HB1 ALA 15 10.815 -2.517 -6.118 117 HB2 ALA 15 HB2 ALA 15 12.489 -1.971 -6.222 118 HB3 ALA 15 HB3 ALA 15 11.461 -1.939 -7.655 119 HA PRO 16 HA PRO 16 7.482 1.166 -7.739 120 HB2 PRO 16 HB2 PRO 16 7.724 1.504 -10.410 121 HB3 PRO 16 HB3 PRO 16 8.331 2.687 -9.247 122 HG2 PRO 16 HG2 PRO 16 9.816 0.605 -10.786 123 HG3 PRO 16 HG3 PRO 16 10.295 2.267 -10.392 124 HD2 PRO 16 HD2 PRO 16 11.186 0.044 -9.049 125 HD3 PRO 16 HD3 PRO 16 11.108 1.668 -8.342 126 H VAL 17 H VAL 17 6.060 -0.437 -7.588 127 HA VAL 17 HA VAL 17 6.367 -2.826 -9.263 128 HB VAL 17 HB VAL 17 4.491 -2.315 -6.936 129 HG11 VAL 17 HG11 VAL 17 5.192 -4.893 -8.332 130 HG12 VAL 17 HG12 VAL 17 3.645 -4.049 -8.415 131 HG13 VAL 17 HG13 VAL 17 4.191 -4.744 -6.889 132 HG21 VAL 17 HG21 VAL 17 6.003 -3.677 -5.604 133 HG22 VAL 17 HG22 VAL 17 6.834 -2.259 -6.243 134 HG23 VAL 17 HG23 VAL 17 7.090 -3.839 -6.982 135 HA PRO 18 HA PRO 18 2.946 -1.463 -11.821 136 HB2 PRO 18 HB2 PRO 18 2.680 -4.235 -12.699 137 HB3 PRO 18 HB3 PRO 18 3.201 -2.820 -13.619 138 HG2 PRO 18 HG2 PRO 18 4.897 -4.815 -12.942 139 HG3 PRO 18 HG3 PRO 18 5.418 -3.125 -13.087 140 HD2 PRO 18 HD2 PRO 18 4.762 -4.699 -10.618 141 HD3 PRO 18 HD3 PRO 18 6.106 -3.571 -10.910 142 H ALA 19 H ALA 19 0.956 -1.132 -11.092 143 HA ALA 19 HA ALA 19 -0.698 -3.347 -10.224 144 HB1 ALA 19 HB1 ALA 19 0.515 -2.808 -8.168 145 HB2 ALA 19 HB2 ALA 19 -1.193 -2.394 -8.023 146 HB3 ALA 19 HB3 ALA 19 0.001 -1.126 -8.299 147 H LEU 20 H LEU 20 -2.917 -2.471 -9.550 148 HA LEU 20 HA LEU 20 -3.440 0.113 -10.847 149 HB2 LEU 20 HB2 LEU 20 -5.700 -0.710 -11.443 150 HB3 LEU 20 HB3 LEU 20 -4.406 -1.538 -12.279 151 HG LEU 20 HG LEU 20 -4.716 -3.329 -10.383 152 HD11 LEU 20 HD11 LEU 20 -6.290 -2.009 -9.070 153 HD12 LEU 20 HD12 LEU 20 -7.025 -3.509 -9.640 154 HD13 LEU 20 HD13 LEU 20 -7.407 -1.980 -10.435 155 HD21 LEU 20 HD21 LEU 20 -6.343 -4.483 -11.796 156 HD22 LEU 20 HD22 LEU 20 -5.081 -3.719 -12.761 157 HD23 LEU 20 HD23 LEU 20 -6.677 -2.976 -12.647 158 H LEU 21 H LEU 21 -4.761 1.524 -9.751 159 HA LEU 21 HA LEU 21 -5.132 0.771 -6.928 160 HB2 LEU 21 HB2 LEU 21 -4.205 3.404 -8.075 161 HB3 LEU 21 HB3 LEU 21 -4.491 3.091 -6.373 162 HG LEU 21 HG LEU 21 -2.408 1.686 -8.054 163 HD11 LEU 21 HD11 LEU 21 -0.782 3.025 -6.810 164 HD12 LEU 21 HD12 LEU 21 -2.101 3.910 -6.043 165 HD13 LEU 21 HD13 LEU 21 -1.850 4.033 -7.785 166 HD21 LEU 21 HD21 LEU 21 -3.182 0.317 -6.215 167 HD22 LEU 21 HD22 LEU 21 -2.953 1.655 -5.088 168 HD23 LEU 21 HD23 LEU 21 -1.559 0.916 -5.875 169 H ILE 22 H ILE 22 -6.988 1.265 -5.971 170 HA ILE 22 HA ILE 22 -9.003 2.771 -7.494 171 HB ILE 22 HB ILE 22 -9.451 0.970 -5.093 172 HG12 ILE 22 HG12 ILE 22 -10.646 -0.477 -6.877 173 HG13 ILE 22 HG13 ILE 22 -9.673 0.406 -8.045 174 HG21 ILE 22 HG21 ILE 22 -11.429 2.201 -7.004 175 HG22 ILE 22 HG22 ILE 22 -11.114 2.741 -5.355 176 HG23 ILE 22 HG23 ILE 22 -11.811 1.146 -5.643 177 HD11 ILE 22 HD11 ILE 22 -8.624 -1.690 -7.514 178 HD12 ILE 22 HD12 ILE 22 -8.656 -1.310 -5.792 179 HD13 ILE 22 HD13 ILE 22 -7.642 -0.366 -6.884 180 H ARG 23 H ARG 23 -9.053 4.865 -6.887 181 HA ARG 23 HA ARG 23 -8.285 5.495 -4.131 182 HB2 ARG 23 HB2 ARG 23 -6.944 6.624 -5.806 183 HB3 ARG 23 HB3 ARG 23 -8.392 7.275 -6.567 184 HG2 ARG 23 HG2 ARG 23 -8.844 8.683 -4.709 185 HG3 ARG 23 HG3 ARG 23 -7.627 7.875 -3.722 186 HD2 ARG 23 HD2 ARG 23 -7.052 9.467 -6.215 187 HD3 ARG 23 HD3 ARG 23 -6.887 10.073 -4.565 188 HE ARG 23 HE ARG 23 -5.352 7.735 -5.525 189 HH11 ARG 23 HH11 ARG 23 -5.531 10.864 -3.926 190 HH12 ARG 23 HH12 ARG 23 -3.838 10.885 -3.534 191 HH21 ARG 23 HH21 ARG 23 -3.153 7.745 -4.967 192 HH22 ARG 23 HH22 ARG 23 -2.481 9.115 -4.132 193 H THR 24 H THR 24 -9.707 6.115 -2.727 194 HA THR 24 HA THR 24 -11.923 7.799 -3.550 195 HB THR 24 HB THR 24 -13.028 5.675 -3.606 196 HG1 THR 24 HG1 THR 24 -14.645 6.280 -2.351 197 HG21 THR 24 HG21 THR 24 -13.028 4.120 -1.702 198 HG22 THR 24 HG22 THR 24 -11.848 5.141 -0.879 199 HG23 THR 24 HG23 THR 24 -11.416 4.330 -2.385 200 H GLN 25 H GLN 25 -12.721 9.085 -1.792 201 HA GLN 25 HA GLN 25 -10.681 9.366 0.298 202 HB2 GLN 25 HB2 GLN 25 -12.715 11.360 -0.705 203 HB3 GLN 25 HB3 GLN 25 -11.501 11.671 0.532 204 HG2 GLN 25 HG2 GLN 25 -9.735 11.508 -1.010 205 HG3 GLN 25 HG3 GLN 25 -10.772 10.788 -2.239 206 HE21 GLN 25 HE21 GLN 25 -9.839 13.744 -0.644 207 HE22 GLN 25 HE22 GLN 25 -10.585 14.816 -1.782 208 H THR 26 H THR 26 -11.201 9.417 2.430 209 HA THR 26 HA THR 26 -13.977 8.684 3.090 210 HB THR 26 HB THR 26 -12.640 6.709 3.372 211 HG1 THR 26 HG1 THR 26 -13.086 7.995 5.880 212 HG21 THR 26 HG21 THR 26 -10.782 8.403 5.039 213 HG22 THR 26 HG22 THR 26 -10.434 7.727 3.447 214 HG23 THR 26 HG23 THR 26 -10.665 6.655 4.828 215 H ALA 27 H ALA 27 -14.898 9.624 4.863 216 HA ALA 27 HA ALA 27 -13.279 11.572 6.342 217 HB1 ALA 27 HB1 ALA 27 -15.387 12.410 5.420 218 HB2 ALA 27 HB2 ALA 27 -15.414 12.435 7.184 219 HB3 ALA 27 HB3 ALA 27 -16.274 11.170 6.307 220 H MET 28 H MET 28 -12.536 11.059 8.254 221 HA MET 28 HA MET 28 -12.040 9.945 10.144 222 HB2 MET 28 HB2 MET 28 -14.295 10.869 10.735 223 HB3 MET 28 HB3 MET 28 -14.979 9.302 10.322 224 HG2 MET 28 HG2 MET 28 -13.674 8.240 12.056 225 HG3 MET 28 HG3 MET 28 -12.888 9.770 12.436 226 HE1 MET 28 HE1 MET 28 -15.090 9.290 15.605 227 HE2 MET 28 HE2 MET 28 -13.474 9.612 14.975 228 HE3 MET 28 HE3 MET 28 -14.224 8.037 14.714 229 H SER 29 H SER 29 -14.725 7.742 9.422 230 HA SER 29 HA SER 29 -12.806 5.677 8.671 231 HB2 SER 29 HB2 SER 29 -13.035 5.490 11.126 232 HB3 SER 29 HB3 SER 29 -14.778 5.314 10.944 233 HG SER 29 HG SER 29 -14.475 3.282 10.551 234 H GLU 30 H GLU 30 -13.800 5.986 6.632 235 HA GLU 30 HA GLU 30 -16.390 4.585 6.407 236 HB2 GLU 30 HB2 GLU 30 -16.536 7.012 5.887 237 HB3 GLU 30 HB3 GLU 30 -15.329 6.796 4.633 238 HG2 GLU 30 HG2 GLU 30 -16.814 5.440 3.342 239 HG3 GLU 30 HG3 GLU 30 -18.001 5.416 4.647 240 H LEU 31 H LEU 31 -13.139 4.490 5.819 241 HA LEU 31 HA LEU 31 -12.984 3.574 3.185 242 HB2 LEU 31 HB2 LEU 31 -10.717 2.757 3.794 243 HB3 LEU 31 HB3 LEU 31 -11.010 4.443 4.105 244 HG LEU 31 HG LEU 31 -9.609 3.445 5.818 245 HD11 LEU 31 HD11 LEU 31 -12.317 4.165 6.903 246 HD12 LEU 31 HD12 LEU 31 -11.022 5.287 6.484 247 HD13 LEU 31 HD13 LEU 31 -10.805 4.146 7.812 248 HD21 LEU 31 HD21 LEU 31 -10.456 1.779 7.386 249 HD22 LEU 31 HD22 LEU 31 -10.371 1.156 5.738 250 HD23 LEU 31 HD23 LEU 31 -11.926 1.625 6.422 251 H GLY 32 H GLY 32 -14.040 1.956 5.992 252 HA2 GLY 32 HA2 GLY 32 -13.350 -0.695 5.418 253 HA3 GLY 32 HA3 GLY 32 -14.770 -0.194 6.328 254 H SER 33 H SER 33 -16.377 1.004 4.629 255 HA SER 33 HA SER 33 -17.350 -1.099 2.978 256 HB2 SER 33 HB2 SER 33 -18.740 0.682 4.160 257 HB3 SER 33 HB3 SER 33 -18.230 1.791 2.888 258 HG SER 33 HG SER 33 -19.768 -0.580 2.645 259 H LEU 34 H LEU 34 -15.389 1.734 2.469 260 HA LEU 34 HA LEU 34 -15.631 1.959 -0.324 261 HB2 LEU 34 HB2 LEU 34 -13.291 2.684 1.439 262 HB3 LEU 34 HB3 LEU 34 -13.521 3.222 -0.215 263 HG LEU 34 HG LEU 34 -15.261 3.927 2.148 264 HD11 LEU 34 HD11 LEU 34 -14.445 6.198 1.744 265 HD12 LEU 34 HD12 LEU 34 -13.392 5.586 0.469 266 HD13 LEU 34 HD13 LEU 34 -13.131 5.090 2.141 267 HD21 LEU 34 HD21 LEU 34 -15.486 4.771 -0.737 268 HD22 LEU 34 HD22 LEU 34 -16.464 5.376 0.600 269 HD23 LEU 34 HD23 LEU 34 -16.589 3.687 0.113 270 H PHE 35 H PHE 35 -13.270 0.208 1.688 271 HA PHE 35 HA PHE 35 -11.802 -0.875 -0.465 272 HB2 PHE 35 HB2 PHE 35 -12.202 -1.923 2.345 273 HB3 PHE 35 HB3 PHE 35 -11.057 -2.601 1.193 274 HD1 PHE 35 HD1 PHE 35 -10.307 0.205 0.043 275 HD2 PHE 35 HD2 PHE 35 -10.509 -1.411 3.974 276 HE1 PHE 35 HE1 PHE 35 -8.587 1.802 0.787 277 HE2 PHE 35 HE2 PHE 35 -8.791 0.181 4.722 278 HZ PHE 35 HZ PHE 35 -7.827 1.789 3.128 279 H GLU 36 H GLU 36 -14.493 -2.144 1.449 280 HA GLU 36 HA GLU 36 -14.783 -4.658 0.355 281 HB2 GLU 36 HB2 GLU 36 -16.091 -3.852 2.269 282 HB3 GLU 36 HB3 GLU 36 -16.974 -2.756 1.214 283 HG2 GLU 36 HG2 GLU 36 -17.602 -4.922 -0.076 284 HG3 GLU 36 HG3 GLU 36 -17.146 -5.728 1.425 285 H ALA 37 H ALA 37 -16.515 -1.721 -0.679 286 HA ALA 37 HA ALA 37 -17.773 -2.963 -2.880 287 HB1 ALA 37 HB1 ALA 37 -18.415 -0.711 -3.553 288 HB2 ALA 37 HB2 ALA 37 -17.262 -0.031 -2.405 289 HB3 ALA 37 HB3 ALA 37 -18.651 -0.947 -1.822 290 H GLY 38 H GLY 38 -14.704 -1.347 -2.505 291 HA2 GLY 38 HA2 GLY 38 -14.121 -0.763 -5.174 292 HA3 GLY 38 HA3 GLY 38 -12.928 -1.071 -3.922 293 H TYR 39 H TYR 39 -13.145 -3.663 -3.310 294 HA TYR 39 HA TYR 39 -12.170 -4.880 -5.743 295 HB2 TYR 39 HB2 TYR 39 -11.488 -6.771 -4.361 296 HB3 TYR 39 HB3 TYR 39 -10.934 -5.256 -3.669 297 HD1 TYR 39 HD2 TYR 39 -13.710 -7.743 -3.356 298 HD2 TYR 39 HD1 TYR 39 -11.277 -4.847 -1.414 299 HE1 TYR 39 HE2 TYR 39 -14.692 -8.378 -1.195 300 HE2 TYR 39 HE1 TYR 39 -12.252 -5.477 0.754 301 HH TYR 39 HH TYR 39 -14.119 -8.289 1.181 302 H HIS 40 H HIS 40 -15.145 -4.700 -4.174 303 HA HIS 40 HA HIS 40 -16.194 -7.265 -4.475 304 HB2 HIS 40 HB2 HIS 40 -17.225 -5.302 -3.233 305 HB3 HIS 40 HB3 HIS 40 -17.809 -4.739 -4.795 306 HD1 HIS 40 HD1 HIS 40 -18.386 -7.345 -2.184 307 HD2 HIS 40 HD2 HIS 40 -19.915 -6.271 -5.906 308 HE1 HIS 40 HE1 HIS 40 -20.527 -8.635 -2.439 309 HE2 HIS 40 HE2 HIS 40 -21.523 -7.839 -4.611 310 H ASP 41 H ASP 41 -16.551 -4.487 -6.707 311 HA ASP 41 HA ASP 41 -16.858 -6.477 -8.855 312 HB2 ASP 41 HB2 ASP 41 -18.975 -5.261 -8.538 313 HB3 ASP 41 HB3 ASP 41 -18.132 -3.732 -8.765 314 H ILE 42 H ILE 42 -14.679 -6.505 -9.209 315 HA ILE 42 HA ILE 42 -13.773 -4.512 -11.065 316 HB ILE 42 HB ILE 42 -13.080 -3.544 -8.861 317 HG12 ILE 42 HG12 ILE 42 -10.798 -4.433 -10.642 318 HG13 ILE 42 HG13 ILE 42 -11.848 -3.054 -10.949 319 HG21 ILE 42 HG21 ILE 42 -11.344 -6.004 -8.705 320 HG22 ILE 42 HG22 ILE 42 -12.684 -5.596 -7.634 321 HG23 ILE 42 HG23 ILE 42 -11.227 -4.601 -7.642 322 HD11 ILE 42 HD11 ILE 42 -11.033 -1.969 -8.937 323 HD12 ILE 42 HD12 ILE 42 -9.705 -2.370 -10.025 324 HD13 ILE 42 HD13 ILE 42 -10.003 -3.357 -8.592 325 H LEU 43 H LEU 43 -13.521 -7.513 -9.401 326 HA LEU 43 HA LEU 43 -11.278 -8.631 -10.647 327 HB2 LEU 43 HB2 LEU 43 -13.779 -10.032 -9.696 328 HB3 LEU 43 HB3 LEU 43 -12.239 -10.798 -10.027 329 HG LEU 43 HG LEU 43 -12.742 -8.767 -7.851 330 HD11 LEU 43 HD11 LEU 43 -13.824 -10.917 -7.414 331 HD12 LEU 43 HD12 LEU 43 -12.470 -10.636 -6.319 332 HD13 LEU 43 HD13 LEU 43 -12.289 -11.743 -7.681 333 HD21 LEU 43 HD21 LEU 43 -10.463 -8.661 -8.710 334 HD22 LEU 43 HD22 LEU 43 -10.291 -10.403 -8.495 335 HD23 LEU 43 HD23 LEU 43 -10.493 -9.357 -7.088 336 H GLN 44 H GLN 44 -14.361 -7.860 -11.885 337 HA GLN 44 HA GLN 44 -14.628 -9.672 -13.992 338 HB2 GLN 44 HB2 GLN 44 -15.587 -6.900 -13.473 339 HB3 GLN 44 HB3 GLN 44 -15.714 -7.520 -15.112 340 HG2 GLN 44 HG2 GLN 44 -17.765 -7.821 -13.776 341 HG3 GLN 44 HG3 GLN 44 -17.100 -9.329 -14.394 342 HE21 GLN 44 HE21 GLN 44 -17.713 -7.400 -11.566 343 HE22 GLN 44 HE22 GLN 44 -17.381 -8.651 -10.406 344 H LEU 45 H LEU 45 -12.598 -6.845 -13.627 345 HA LEU 45 HA LEU 45 -11.852 -6.696 -16.385 346 HB2 LEU 45 HB2 LEU 45 -10.740 -5.444 -13.886 347 HB3 LEU 45 HB3 LEU 45 -9.959 -5.245 -15.438 348 HG LEU 45 HG LEU 45 -11.238 -3.303 -15.123 349 HD11 LEU 45 HD11 LEU 45 -12.806 -5.163 -16.895 350 HD12 LEU 45 HD12 LEU 45 -11.422 -4.174 -17.362 351 HD13 LEU 45 HD13 LEU 45 -12.939 -3.405 -16.893 352 HD21 LEU 45 HD21 LEU 45 -12.640 -4.040 -13.298 353 HD22 LEU 45 HD22 LEU 45 -13.565 -5.066 -14.393 354 HD23 LEU 45 HD23 LEU 45 -13.622 -3.312 -14.568 355 H LEU 46 H LEU 46 -11.079 -8.844 -13.946 356 HA LEU 46 HA LEU 46 -8.530 -9.552 -15.243 357 HB2 LEU 46 HB2 LEU 46 -9.547 -10.209 -12.476 358 HB3 LEU 46 HB3 LEU 46 -8.075 -10.863 -13.166 359 HG LEU 46 HG LEU 46 -8.603 -7.945 -12.582 360 HD11 LEU 46 HD11 LEU 46 -6.929 -8.219 -10.842 361 HD12 LEU 46 HD12 LEU 46 -6.757 -9.925 -11.252 362 HD13 LEU 46 HD13 LEU 46 -8.275 -9.328 -10.579 363 HD21 LEU 46 HD21 LEU 46 -7.166 -8.249 -14.539 364 HD22 LEU 46 HD22 LEU 46 -6.120 -9.321 -13.607 365 HD23 LEU 46 HD23 LEU 46 -6.254 -7.619 -13.166 366 H ALA 47 H ALA 47 -11.410 -11.017 -13.735 367 HA ALA 47 HA ALA 47 -10.914 -13.625 -14.723 368 HB1 ALA 47 HB1 ALA 47 -13.537 -12.428 -13.837 369 HB2 ALA 47 HB2 ALA 47 -12.334 -13.150 -12.767 370 HB3 ALA 47 HB3 ALA 47 -13.156 -14.144 -13.971 371 H GLY 48 H GLY 48 -12.709 -10.869 -15.967 372 HA2 GLY 48 HA2 GLY 48 -13.712 -12.375 -18.238 373 HA3 GLY 48 HA3 GLY 48 -13.947 -10.658 -17.933 374 H GLN 49 H GLN 49 -10.802 -11.051 -17.419 375 HA GLN 49 HA GLN 49 -10.092 -10.260 -20.147 376 HB2 GLN 49 HB2 GLN 49 -9.485 -8.829 -18.150 377 HB3 GLN 49 HB3 GLN 49 -8.393 -10.113 -17.653 378 HG2 GLN 49 HG2 GLN 49 -7.103 -8.472 -18.768 379 HG3 GLN 49 HG3 GLN 49 -7.229 -9.859 -19.847 380 HE21 GLN 49 HE21 GLN 49 -9.843 -7.618 -19.304 381 HE22 GLN 49 HE22 GLN 49 -9.826 -6.910 -20.884 382 H GLY 50 H GLY 50 -9.247 -12.527 -17.589 383 HA2 GLY 50 HA2 GLY 50 -8.570 -14.784 -18.153 384 HA3 GLY 50 HA3 GLY 50 -7.741 -14.127 -19.559 385 H LYS 51 H LYS 51 -7.620 -12.522 -16.478 386 HA LYS 51 HA LYS 51 -4.842 -13.407 -16.130 387 HB2 LYS 51 HB2 LYS 51 -5.874 -10.576 -16.011 388 HB3 LYS 51 HB3 LYS 51 -4.296 -11.066 -15.409 389 HG2 LYS 51 HG2 LYS 51 -3.692 -11.830 -17.660 390 HG3 LYS 51 HG3 LYS 51 -5.260 -11.281 -18.252 391 HD2 LYS 51 HD2 LYS 51 -4.728 -9.003 -17.641 392 HD3 LYS 51 HD3 LYS 51 -3.194 -9.525 -16.938 393 HE2 LYS 51 HE2 LYS 51 -2.457 -10.307 -19.135 394 HE3 LYS 51 HE3 LYS 51 -3.991 -9.786 -19.830 395 HZ1 LYS 51 HZ1 LYS 51 -3.458 -7.514 -19.290 396 HZ2 LYS 51 HZ2 LYS 51 -2.175 -8.179 -20.177 397 HZ3 LYS 51 HZ3 LYS 51 -2.035 -7.987 -18.496 398 H SER 52 H SER 52 -4.007 -12.932 -13.936 399 HA SER 52 HA SER 52 -6.118 -12.866 -11.889 400 HB2 SER 52 HB2 SER 52 -4.551 -14.503 -10.626 401 HB3 SER 52 HB3 SER 52 -5.532 -15.153 -11.938 402 HG SER 52 HG SER 52 -3.131 -15.635 -11.830 403 HA PRO 53 HA PRO 53 -3.778 -9.788 -9.700 404 HB2 PRO 53 HB2 PRO 53 -3.647 -11.630 -7.364 405 HB3 PRO 53 HB3 PRO 53 -4.216 -9.960 -7.452 406 HG2 PRO 53 HG2 PRO 53 -5.941 -11.980 -7.263 407 HG3 PRO 53 HG3 PRO 53 -6.294 -10.569 -8.275 408 HD2 PRO 53 HD2 PRO 53 -5.422 -13.307 -9.075 409 HD3 PRO 53 HD3 PRO 53 -6.533 -12.192 -9.894 410 H SER 54 H SER 54 -1.662 -9.274 -9.504 411 HA SER 54 HA SER 54 0.226 -11.434 -10.041 412 HB2 SER 54 HB2 SER 54 0.129 -9.355 -11.471 413 HB3 SER 54 HB3 SER 54 0.740 -8.451 -10.087 414 HG SER 54 HG SER 54 2.605 -9.758 -10.135 415 H GLY 55 H GLY 55 -0.984 -10.486 -7.325 416 HA2 GLY 55 HA2 GLY 55 0.917 -11.413 -5.624 417 HA3 GLY 55 HA3 GLY 55 1.340 -9.718 -5.812 418 HA PRO 56 HA PRO 56 -1.847 -10.156 -2.410 419 HB2 PRO 56 HB2 PRO 56 0.096 -8.651 -0.814 420 HB3 PRO 56 HB3 PRO 56 -0.665 -10.204 -0.465 421 HG2 PRO 56 HG2 PRO 56 1.953 -9.983 -1.074 422 HG3 PRO 56 HG3 PRO 56 0.989 -11.402 -1.528 423 HD2 PRO 56 HD2 PRO 56 1.821 -9.058 -3.200 424 HD3 PRO 56 HD3 PRO 56 1.794 -10.785 -3.619 425 HA PRO 57 HA PRO 57 -3.393 -6.065 -3.056 426 HB2 PRO 57 HB2 PRO 57 -4.753 -5.651 -0.722 427 HB3 PRO 57 HB3 PRO 57 -5.350 -6.663 -2.040 428 HG2 PRO 57 HG2 PRO 57 -3.972 -7.466 0.493 429 HG3 PRO 57 HG3 PRO 57 -5.365 -8.213 -0.311 430 HD2 PRO 57 HD2 PRO 57 -2.881 -9.236 -0.522 431 HD3 PRO 57 HD3 PRO 57 -4.046 -9.311 -1.860 432 H PHE 58 H PHE 58 -3.177 -3.878 -2.415 433 HA PHE 58 HA PHE 58 -0.998 -3.446 -0.469 434 HB2 PHE 58 HB2 PHE 58 -1.745 -1.717 -2.841 435 HB3 PHE 58 HB3 PHE 58 -0.408 -1.440 -1.738 436 HD1 PHE 58 HD2 PHE 58 0.395 -4.457 -1.661 437 HD2 PHE 58 HD1 PHE 58 -0.392 -1.692 -4.796 438 HE1 PHE 58 HE2 PHE 58 1.895 -5.719 -3.146 439 HE2 PHE 58 HE1 PHE 58 1.110 -2.948 -6.286 440 HZ PHE 58 HZ PHE 58 2.255 -4.962 -5.462 441 H ALA 59 H ALA 59 -1.069 -1.053 0.317 442 HA ALA 59 HA ALA 59 -3.679 0.169 0.366 443 HB1 ALA 59 HB1 ALA 59 -2.449 -0.793 2.950 444 HB2 ALA 59 HB2 ALA 59 -3.892 -1.461 2.187 445 HB3 ALA 59 HB3 ALA 59 -3.903 0.194 2.797 446 H ARG 60 H ARG 60 -3.048 2.156 -0.240 447 HA ARG 60 HA ARG 60 -1.010 3.416 1.456 448 HB2 ARG 60 HB2 ARG 60 -0.274 4.777 -0.419 449 HB3 ARG 60 HB3 ARG 60 -0.099 3.070 -0.784 450 HG2 ARG 60 HG2 ARG 60 -1.059 3.585 -2.720 451 HG3 ARG 60 HG3 ARG 60 -2.566 3.612 -1.805 452 HD2 ARG 60 HD2 ARG 60 -2.266 5.626 -3.190 453 HD3 ARG 60 HD3 ARG 60 -2.361 5.998 -1.466 454 HE ARG 60 HE ARG 60 0.080 6.229 -1.492 455 HH11 ARG 60 HH11 ARG 60 -1.617 6.333 -4.573 456 HH12 ARG 60 HH12 ARG 60 -0.367 7.278 -5.351 457 HH21 ARG 60 HH21 ARG 60 1.722 7.394 -2.524 458 HH22 ARG 60 HH22 ARG 60 1.527 7.867 -4.193 459 H TYR 61 H TYR 61 -1.336 5.506 2.055 460 HA TYR 61 HA TYR 61 -4.070 6.538 1.657 461 HB2 TYR 61 HB2 TYR 61 -2.543 6.491 4.277 462 HB3 TYR 61 HB3 TYR 61 -4.173 7.108 4.026 463 HD1 TYR 61 HD1 TYR 61 -5.925 5.404 3.156 464 HD2 TYR 61 HD2 TYR 61 -2.237 4.282 4.953 465 HE1 TYR 61 HE1 TYR 61 -6.848 3.181 3.646 466 HE2 TYR 61 HE2 TYR 61 -3.150 2.053 5.449 467 HH TYR 61 HH TYR 61 -6.036 0.902 4.078 468 H PHE 62 H PHE 62 -4.025 8.438 0.831 469 HA PHE 62 HA PHE 62 -1.589 10.054 1.092 470 HB2 PHE 62 HB2 PHE 62 -2.343 9.275 -1.202 471 HB3 PHE 62 HB3 PHE 62 -3.747 10.319 -1.009 472 HD1 PHE 62 HD2 PHE 62 -0.115 10.749 -0.293 473 HD2 PHE 62 HD1 PHE 62 -3.557 12.165 -2.345 474 HE1 PHE 62 HE2 PHE 62 1.194 12.636 -1.169 475 HE2 PHE 62 HE1 PHE 62 -2.255 14.052 -3.228 476 HZ PHE 62 HZ PHE 62 0.123 14.291 -2.640 477 H GLY 63 H GLY 63 -1.850 12.358 1.347 478 HA2 GLY 63 HA2 GLY 63 -3.130 14.282 1.862 479 HA3 GLY 63 HA3 GLY 63 -4.499 13.242 2.227 480 H MET 64 H MET 64 -1.439 12.326 3.502 481 HA MET 64 HA MET 64 -2.341 12.567 6.199 482 HB2 MET 64 HB2 MET 64 0.475 12.106 5.188 483 HB3 MET 64 HB3 MET 64 -0.088 11.838 6.830 484 HG2 MET 64 HG2 MET 64 -0.898 10.321 4.363 485 HG3 MET 64 HG3 MET 64 0.093 9.738 5.699 486 HE1 MET 64 HE1 MET 64 -0.885 9.357 8.200 487 HE2 MET 64 HE2 MET 64 -2.566 9.676 8.628 488 HE3 MET 64 HE3 MET 64 -1.496 11.011 8.196 489 H SER 65 H SER 65 -1.110 14.759 4.024 490 HA SER 65 HA SER 65 -0.501 16.677 6.168 491 HB2 SER 65 HB2 SER 65 1.551 15.834 4.889 492 HB3 SER 65 HB3 SER 65 0.887 16.648 3.475 493 HG SER 65 HG SER 65 2.398 17.934 4.633 494 H ALA 66 H ALA 66 -2.899 15.960 4.566 495 HA ALA 66 HA ALA 66 -3.440 18.603 3.408 496 HB1 ALA 66 HB1 ALA 66 -4.218 15.979 2.135 497 HB2 ALA 66 HB2 ALA 66 -2.965 17.075 1.557 498 HB3 ALA 66 HB3 ALA 66 -4.653 17.587 1.550 499 H GLY 67 H GLY 67 -6.028 18.342 2.721 500 HA2 GLY 67 HA2 GLY 67 -7.283 18.450 5.280 501 HA3 GLY 67 HA3 GLY 67 -8.065 18.698 3.726 502 H THR 68 H THR 68 -8.150 16.492 2.416 503 HA THR 68 HA THR 68 -9.748 14.772 4.103 504 HB THR 68 HB THR 68 -10.143 13.584 1.872 505 HG1 THR 68 HG1 THR 68 -8.188 14.744 0.983 506 HG21 THR 68 HG21 THR 68 -11.771 15.093 2.875 507 HG22 THR 68 HG22 THR 68 -11.720 15.319 1.127 508 HG23 THR 68 HG23 THR 68 -10.927 16.482 2.190 509 H PHE 69 H PHE 69 -9.516 12.547 4.286 510 HA PHE 69 HA PHE 69 -6.794 11.531 3.971 511 HB2 PHE 69 HB2 PHE 69 -8.020 11.312 6.143 512 HB3 PHE 69 HB3 PHE 69 -9.183 10.272 5.336 513 HD1 PHE 69 HD1 PHE 69 -5.633 10.580 6.312 514 HD2 PHE 69 HD2 PHE 69 -8.764 7.978 5.078 515 HE1 PHE 69 HE1 PHE 69 -4.234 8.632 6.866 516 HE2 PHE 69 HE2 PHE 69 -7.371 6.032 5.624 517 HZ PHE 69 HZ PHE 69 -5.104 6.357 6.523 518 H GLU 70 H GLU 70 -6.343 10.441 2.203 519 HA GLU 70 HA GLU 70 -8.549 9.399 0.571 520 HB2 GLU 70 HB2 GLU 70 -5.683 9.964 -0.197 521 HB3 GLU 70 HB3 GLU 70 -6.957 9.442 -1.293 522 HG2 GLU 70 HG2 GLU 70 -8.200 11.497 -0.745 523 HG3 GLU 70 HG3 GLU 70 -6.831 12.020 0.231 524 H VAL 71 H VAL 71 -8.833 7.300 0.276 525 HA VAL 71 HA VAL 71 -6.670 5.544 1.179 526 HB VAL 71 HB VAL 71 -8.293 3.822 1.662 527 HG11 VAL 71 HG11 VAL 71 -7.837 5.463 3.401 528 HG12 VAL 71 HG12 VAL 71 -9.508 4.904 3.489 529 HG13 VAL 71 HG13 VAL 71 -9.142 6.481 2.794 530 HG21 VAL 71 HG21 VAL 71 -10.700 4.206 1.489 531 HG22 VAL 71 HG22 VAL 71 -9.925 4.270 -0.094 532 HG23 VAL 71 HG23 VAL 71 -10.397 5.763 0.717 533 H GLU 72 H GLU 72 -5.703 4.311 -0.222 534 HA GLU 72 HA GLU 72 -6.999 3.634 -2.755 535 HB2 GLU 72 HB2 GLU 72 -5.731 5.779 -3.022 536 HB3 GLU 72 HB3 GLU 72 -4.270 4.934 -2.544 537 HG2 GLU 72 HG2 GLU 72 -4.328 3.587 -4.514 538 HG3 GLU 72 HG3 GLU 72 -5.915 4.222 -4.955 539 H PHE 73 H PHE 73 -7.062 1.493 -2.041 540 HA PHE 73 HA PHE 73 -4.727 0.275 -0.905 541 HB2 PHE 73 HB2 PHE 73 -6.086 -1.804 -0.870 542 HB3 PHE 73 HB3 PHE 73 -6.874 -0.443 -0.086 543 HD1 PHE 73 HD2 PHE 73 -8.580 0.881 -1.583 544 HD2 PHE 73 HD1 PHE 73 -7.263 -3.090 -2.365 545 HE1 PHE 73 HE2 PHE 73 -10.592 0.485 -2.941 546 HE2 PHE 73 HE1 PHE 73 -9.272 -3.490 -3.725 547 HZ PHE 73 HZ PHE 73 -10.941 -1.703 -4.015 548 H GLY 74 H GLY 74 -6.601 -0.538 -3.848 549 HA2 GLY 74 HA2 GLY 74 -5.916 -1.307 -5.892 550 HA3 GLY 74 HA3 GLY 74 -4.345 -0.619 -5.531 551 H PHE 75 H PHE 75 -4.403 -2.820 -7.012 552 HA PHE 75 HA PHE 75 -2.945 -4.654 -5.323 553 HB2 PHE 75 HB2 PHE 75 -4.141 -6.671 -6.190 554 HB3 PHE 75 HB3 PHE 75 -5.103 -5.675 -5.108 555 HD1 PHE 75 HD1 PHE 75 -4.625 -6.716 -8.606 556 HD2 PHE 75 HD2 PHE 75 -7.106 -4.625 -5.849 557 HE1 PHE 75 HE1 PHE 75 -6.437 -6.683 -10.266 558 HE2 PHE 75 HE2 PHE 75 -8.921 -4.582 -7.511 559 HZ PHE 75 HZ PHE 75 -8.589 -5.614 -9.719 560 HA PRO 76 HA PRO 76 -0.334 -4.753 -8.720 561 HB2 PRO 76 HB2 PRO 76 0.598 -7.439 -8.335 562 HB3 PRO 76 HB3 PRO 76 1.338 -5.932 -7.795 563 HG2 PRO 76 HG2 PRO 76 0.242 -7.834 -6.128 564 HG3 PRO 76 HG3 PRO 76 0.487 -6.132 -5.702 565 HD2 PRO 76 HD2 PRO 76 -2.002 -7.539 -6.552 566 HD3 PRO 76 HD3 PRO 76 -1.789 -6.225 -5.376 567 H VAL 77 H VAL 77 -0.169 -5.151 -10.810 568 HA VAL 77 HA VAL 77 -1.287 -7.612 -11.940 569 HB VAL 77 HB VAL 77 -2.115 -6.297 -13.913 570 HG11 VAL 77 HG11 VAL 77 -4.190 -5.546 -12.834 571 HG12 VAL 77 HG12 VAL 77 -3.408 -5.683 -11.259 572 HG13 VAL 77 HG13 VAL 77 -3.668 -7.124 -12.242 573 HG21 VAL 77 HG21 VAL 77 -0.819 -4.260 -13.555 574 HG22 VAL 77 HG22 VAL 77 -1.718 -3.940 -12.072 575 HG23 VAL 77 HG23 VAL 77 -2.545 -3.905 -13.629 576 H GLU 78 H GLU 78 -0.516 -7.604 -14.442 577 HA GLU 78 HA GLU 78 2.356 -7.158 -14.199 578 HB2 GLU 78 HB2 GLU 78 2.227 -8.543 -16.475 579 HB3 GLU 78 HB3 GLU 78 2.251 -9.303 -14.895 580 HG2 GLU 78 HG2 GLU 78 0.575 -10.409 -16.084 581 HG3 GLU 78 HG3 GLU 78 -0.282 -9.302 -15.015 582 H GLY 79 H GLY 79 -0.249 -6.540 -16.553 583 HA2 GLY 79 HA2 GLY 79 0.229 -3.957 -17.147 584 HA3 GLY 79 HA3 GLY 79 1.485 -4.775 -18.070 585 H GLY 80 H GLY 80 -1.205 -3.306 -18.640 586 HA2 GLY 80 HA2 GLY 80 -2.461 -3.474 -20.632 587 HA3 GLY 80 HA3 GLY 80 -2.022 -5.175 -20.737 588 H VAL 81 H VAL 81 -3.464 -3.238 -18.155 589 HA VAL 81 HA VAL 81 -5.803 -5.034 -18.198 590 HB VAL 81 HB VAL 81 -4.707 -3.758 -15.694 591 HG11 VAL 81 HG11 VAL 81 -7.043 -4.425 -15.613 592 HG12 VAL 81 HG12 VAL 81 -6.059 -5.432 -14.550 593 HG13 VAL 81 HG13 VAL 81 -6.602 -6.059 -16.106 594 HG21 VAL 81 HG21 VAL 81 -2.989 -5.259 -16.600 595 HG22 VAL 81 HG22 VAL 81 -4.170 -6.568 -16.655 596 HG23 VAL 81 HG23 VAL 81 -3.681 -5.886 -15.103 597 H GLU 82 H GLU 82 -7.790 -4.013 -17.495 598 HA GLU 82 HA GLU 82 -7.753 -1.143 -18.124 599 HB2 GLU 82 HB2 GLU 82 -8.948 -2.630 -19.729 600 HB3 GLU 82 HB3 GLU 82 -10.040 -3.098 -18.432 601 HG2 GLU 82 HG2 GLU 82 -11.050 -1.423 -19.863 602 HG3 GLU 82 HG3 GLU 82 -10.810 -0.798 -18.233 603 H GLY 83 H GLY 83 -9.276 0.222 -17.037 604 HA2 GLY 83 HA2 GLY 83 -9.833 -0.701 -14.295 605 HA3 GLY 83 HA3 GLY 83 -9.533 0.973 -14.750 606 H SER 84 H SER 84 -11.830 -0.182 -13.327 607 HA SER 84 HA SER 84 -13.979 -0.150 -15.284 608 HB2 SER 84 HB2 SER 84 -15.376 -0.793 -13.313 609 HB3 SER 84 HB3 SER 84 -14.033 -1.892 -13.612 610 HG SER 84 HG SER 84 -14.535 -0.873 -11.357 611 H GLY 85 H GLY 85 -12.339 2.261 -14.085 612 HA2 GLY 85 HA2 GLY 85 -13.303 4.477 -14.528 613 HA3 GLY 85 HA3 GLY 85 -14.737 3.935 -13.668 614 H ARG 86 H ARG 86 -14.037 2.991 -11.378 615 HA ARG 86 HA ARG 86 -12.987 5.262 -9.951 616 HB2 ARG 86 HB2 ARG 86 -13.951 2.552 -9.010 617 HB3 ARG 86 HB3 ARG 86 -13.457 3.850 -7.934 618 HG2 ARG 86 HG2 ARG 86 -15.640 4.271 -9.940 619 HG3 ARG 86 HG3 ARG 86 -15.962 3.482 -8.396 620 HD2 ARG 86 HD2 ARG 86 -16.446 5.729 -8.005 621 HD3 ARG 86 HD3 ARG 86 -14.837 5.507 -7.326 622 HE ARG 86 HE ARG 86 -14.788 6.439 -10.040 623 HH11 ARG 86 HH11 ARG 86 -15.071 7.432 -6.687 624 HH12 ARG 86 HH12 ARG 86 -14.574 9.066 -7.006 625 HH21 ARG 86 HH21 ARG 86 -14.164 8.592 -10.456 626 HH22 ARG 86 HH22 ARG 86 -14.064 9.725 -9.135 627 H VAL 87 H VAL 87 -11.449 2.959 -11.594 628 HA VAL 87 HA VAL 87 -9.180 2.864 -9.744 629 HB VAL 87 HB VAL 87 -10.255 0.721 -9.479 630 HG11 VAL 87 HG11 VAL 87 -10.098 0.434 -12.470 631 HG12 VAL 87 HG12 VAL 87 -11.565 0.696 -11.527 632 HG13 VAL 87 HG13 VAL 87 -10.651 -0.799 -11.336 633 HG21 VAL 87 HG21 VAL 87 -7.834 0.690 -9.502 634 HG22 VAL 87 HG22 VAL 87 -7.831 0.503 -11.255 635 HG23 VAL 87 HG23 VAL 87 -8.464 -0.786 -10.232 636 H VAL 88 H VAL 88 -7.235 3.153 -10.657 637 HA VAL 88 HA VAL 88 -6.990 2.911 -13.580 638 HB VAL 88 HB VAL 88 -5.423 4.877 -13.554 639 HG11 VAL 88 HG11 VAL 88 -7.183 6.567 -13.601 640 HG12 VAL 88 HG12 VAL 88 -8.273 5.466 -12.760 641 HG13 VAL 88 HG13 VAL 88 -7.711 5.079 -14.386 642 HG21 VAL 88 HG21 VAL 88 -4.927 4.937 -11.174 643 HG22 VAL 88 HG22 VAL 88 -6.607 5.332 -10.815 644 HG23 VAL 88 HG23 VAL 88 -5.601 6.481 -11.699 645 H THR 89 H THR 89 -5.108 1.980 -14.283 646 HA THR 89 HA THR 89 -3.362 0.925 -12.202 647 HB THR 89 HB THR 89 -4.216 -0.684 -13.783 648 HG1 THR 89 HG1 THR 89 -2.040 -0.901 -12.925 649 HG21 THR 89 HG21 THR 89 -3.514 -0.675 -16.143 650 HG22 THR 89 HG22 THR 89 -2.767 0.903 -15.892 651 HG23 THR 89 HG23 THR 89 -4.514 0.721 -15.740 652 H GLY 90 H GLY 90 -1.071 0.791 -12.599 653 HA2 GLY 90 HA2 GLY 90 0.475 2.323 -14.284 654 HA3 GLY 90 HA3 GLY 90 0.010 3.414 -12.984 655 H LEU 91 H LEU 91 2.221 3.566 -12.345 656 HA LEU 91 HA LEU 91 3.245 1.149 -11.014 657 HB2 LEU 91 HB2 LEU 91 4.713 3.587 -12.011 658 HB3 LEU 91 HB3 LEU 91 5.452 2.355 -11.008 659 HG LEU 91 HG LEU 91 4.393 2.001 -13.812 660 HD11 LEU 91 HD11 LEU 91 6.723 1.517 -14.342 661 HD12 LEU 91 HD12 LEU 91 7.174 1.821 -12.664 662 HD13 LEU 91 HD13 LEU 91 6.548 3.134 -13.661 663 HD21 LEU 91 HD21 LEU 91 5.258 -0.303 -13.626 664 HD22 LEU 91 HD22 LEU 91 3.906 0.002 -12.535 665 HD23 LEU 91 HD23 LEU 91 5.556 -0.032 -11.908 666 H THR 92 H THR 92 4.069 1.295 -8.923 667 HA THR 92 HA THR 92 2.781 3.274 -7.267 668 HB THR 92 HB THR 92 4.039 1.896 -5.442 669 HG1 THR 92 HG1 THR 92 4.005 -0.195 -7.282 670 HG21 THR 92 HG21 THR 92 1.631 1.779 -5.810 671 HG22 THR 92 HG22 THR 92 2.283 0.165 -5.522 672 HG23 THR 92 HG23 THR 92 1.876 0.673 -7.162 673 HA PRO 93 HA PRO 93 6.062 6.119 -6.514 674 HB2 PRO 93 HB2 PRO 93 5.943 5.582 -3.603 675 HB3 PRO 93 HB3 PRO 93 5.704 7.095 -4.481 676 HG2 PRO 93 HG2 PRO 93 3.640 5.794 -3.405 677 HG3 PRO 93 HG3 PRO 93 3.491 6.616 -4.970 678 HD2 PRO 93 HD2 PRO 93 3.823 3.700 -4.382 679 HD3 PRO 93 HD3 PRO 93 2.800 4.497 -5.596 680 H SER 94 H SER 94 8.247 6.321 -6.095 681 HA SER 94 HA SER 94 9.651 3.997 -4.993 682 HB2 SER 94 HB2 SER 94 9.611 3.809 -7.475 683 HB3 SER 94 HB3 SER 94 10.372 5.394 -7.589 684 HG SER 94 HG SER 94 11.486 3.094 -6.330 685 H GLY 95 H GLY 95 11.820 4.504 -4.265 686 HA2 GLY 95 HA2 GLY 95 13.468 6.454 -4.187 687 HA3 GLY 95 HA3 GLY 95 12.100 7.350 -3.542 688 H LYS 96 H LYS 96 14.074 7.487 -1.915 689 HA LYS 96 HA LYS 96 14.351 5.283 -0.103 690 HB2 LYS 96 HB2 LYS 96 15.687 7.702 -0.548 691 HB3 LYS 96 HB3 LYS 96 14.969 7.879 1.045 692 HG2 LYS 96 HG2 LYS 96 17.066 7.013 1.503 693 HG3 LYS 96 HG3 LYS 96 16.033 5.582 1.538 694 HD2 LYS 96 HD2 LYS 96 16.763 4.877 -0.590 695 HD3 LYS 96 HD3 LYS 96 17.496 6.443 -0.943 696 HE2 LYS 96 HE2 LYS 96 19.301 5.022 -0.446 697 HE3 LYS 96 HE3 LYS 96 19.058 5.977 1.013 698 HZ1 LYS 96 HZ1 LYS 96 18.193 3.172 0.551 699 HZ2 LYS 96 HZ2 LYS 96 17.779 4.083 1.920 700 HZ3 LYS 96 HZ3 LYS 96 19.401 3.708 1.619 701 H ALA 97 H ALA 97 12.743 4.672 1.217 702 HA ALA 97 HA ALA 97 11.126 6.775 2.487 703 HB1 ALA 97 HB1 ALA 97 10.060 4.203 1.330 704 HB2 ALA 97 HB2 ALA 97 9.796 5.826 0.690 705 HB3 ALA 97 HB3 ALA 97 9.127 5.376 2.259 706 H ALA 98 H ALA 98 10.477 6.384 4.582 707 HA ALA 98 HA ALA 98 12.125 4.518 6.030 708 HB1 ALA 98 HB1 ALA 98 9.950 6.357 7.041 709 HB2 ALA 98 HB2 ALA 98 11.660 6.769 6.911 710 HB3 ALA 98 HB3 ALA 98 11.140 5.505 8.025 711 H SER 99 H SER 99 11.574 2.440 5.970 712 HA SER 99 HA SER 99 8.716 1.758 6.006 713 HB2 SER 99 HB2 SER 99 11.065 0.059 5.134 714 HB3 SER 99 HB3 SER 99 9.357 -0.357 4.980 715 HG SER 99 HG SER 99 10.600 1.889 3.762 716 H SER 100 H SER 100 7.886 0.654 7.656 717 HA SER 100 HA SER 100 9.758 -0.475 9.627 718 HB2 SER 100 HB2 SER 100 6.993 0.649 10.128 719 HB3 SER 100 HB3 SER 100 8.082 -0.012 11.349 720 HG SER 100 HG SER 100 9.051 2.023 9.709 721 H LEU 101 H LEU 101 9.635 -2.565 9.997 722 HA LEU 101 HA LEU 101 7.500 -4.101 8.727 723 HB2 LEU 101 HB2 LEU 101 9.981 -5.093 10.134 724 HB3 LEU 101 HB3 LEU 101 8.884 -6.046 9.155 725 HG LEU 101 HG LEU 101 10.620 -3.801 8.121 726 HD11 LEU 101 HD11 LEU 101 10.912 -6.788 7.856 727 HD12 LEU 101 HD12 LEU 101 11.943 -5.724 8.811 728 HD13 LEU 101 HD13 LEU 101 11.914 -5.579 7.053 729 HD21 LEU 101 HD21 LEU 101 8.578 -4.052 6.825 730 HD22 LEU 101 HD22 LEU 101 8.865 -5.786 6.677 731 HD23 LEU 101 HD23 LEU 101 9.964 -4.642 5.909 732 H TYR 102 H TYR 102 5.975 -5.200 9.817 733 HA TYR 102 HA TYR 102 5.773 -4.663 12.660 734 HB2 TYR 102 HB2 TYR 102 3.792 -5.702 10.661 735 HB3 TYR 102 HB3 TYR 102 3.461 -5.661 12.385 736 HD1 TYR 102 HD2 TYR 102 5.476 -2.992 10.935 737 HD2 TYR 102 HD1 TYR 102 1.526 -4.204 11.951 738 HE1 TYR 102 HE2 TYR 102 4.711 -0.673 10.695 739 HE2 TYR 102 HE1 TYR 102 0.752 -1.883 11.715 740 HH TYR 102 HH TYR 102 2.399 0.440 10.132 741 H ILE 103 H ILE 103 6.018 -6.165 14.231 742 HA ILE 103 HA ILE 103 5.989 -8.988 13.419 743 HB ILE 103 HB ILE 103 7.948 -7.750 15.372 744 HG12 ILE 103 HG12 ILE 103 9.573 -9.007 13.765 745 HG13 ILE 103 HG13 ILE 103 8.230 -8.958 12.631 746 HG21 ILE 103 HG21 ILE 103 8.803 -10.016 15.709 747 HG22 ILE 103 HG22 ILE 103 7.522 -10.654 14.680 748 HG23 ILE 103 HG23 ILE 103 7.119 -9.883 16.214 749 HD11 ILE 103 HD11 ILE 103 9.778 -7.133 12.244 750 HD12 ILE 103 HD12 ILE 103 9.556 -6.578 13.903 751 HD13 ILE 103 HD13 ILE 103 8.207 -6.521 12.768 752 H GLY 104 H GLY 104 4.128 -9.664 14.228 753 HA2 GLY 104 HA2 GLY 104 3.504 -10.448 16.647 754 HA3 GLY 104 HA3 GLY 104 3.264 -8.718 16.854 755 HA PRO 105 HA PRO 105 -0.800 -10.304 15.391 756 HB2 PRO 105 HB2 PRO 105 -1.845 -8.272 17.220 757 HB3 PRO 105 HB3 PRO 105 -2.158 -10.009 17.185 758 HG2 PRO 105 HG2 PRO 105 -0.709 -8.828 19.143 759 HG3 PRO 105 HG3 PRO 105 -0.400 -10.484 18.593 760 HD2 PRO 105 HD2 PRO 105 1.054 -7.957 17.914 761 HD3 PRO 105 HD3 PRO 105 1.706 -9.573 18.262 762 H TYR 106 H TYR 106 -2.023 -9.375 13.828 763 HA TYR 106 HA TYR 106 -1.278 -6.665 12.988 764 HB2 TYR 106 HB2 TYR 106 -1.352 -8.828 11.486 765 HB3 TYR 106 HB3 TYR 106 -3.077 -8.502 11.437 766 HD1 TYR 106 HD1 TYR 106 -3.577 -5.865 10.858 767 HD2 TYR 106 HD2 TYR 106 -0.134 -8.087 9.714 768 HE1 TYR 106 HE1 TYR 106 -3.223 -4.335 8.964 769 HE2 TYR 106 HE2 TYR 106 0.232 -6.562 7.822 770 HH TYR 106 HH TYR 106 -1.114 -3.612 7.512 771 H GLY 107 H GLY 107 -2.715 -4.989 13.109 772 HA2 GLY 107 HA2 GLY 107 -5.391 -4.925 12.823 773 HA3 GLY 107 HA3 GLY 107 -5.221 -5.490 14.477 774 H GLU 108 H GLU 108 -3.767 -4.105 15.880 775 HA GLU 108 HA GLU 108 -4.745 -1.402 15.626 776 HB2 GLU 108 HB2 GLU 108 -2.999 -2.573 17.797 777 HB3 GLU 108 HB3 GLU 108 -3.868 -1.046 17.861 778 HG2 GLU 108 HG2 GLU 108 -5.980 -2.447 17.527 779 HG3 GLU 108 HG3 GLU 108 -4.967 -3.830 17.935 780 H ILE 109 H ILE 109 -3.640 -0.692 13.836 781 HA ILE 109 HA ILE 109 -0.784 -0.760 13.656 782 HB ILE 109 HB ILE 109 -2.240 -0.821 11.666 783 HG12 ILE 109 HG12 ILE 109 -0.572 1.690 11.616 784 HG13 ILE 109 HG13 ILE 109 0.127 0.076 11.604 785 HG21 ILE 109 HG21 ILE 109 -3.328 1.238 10.878 786 HG22 ILE 109 HG22 ILE 109 -2.899 2.024 12.399 787 HG23 ILE 109 HG23 ILE 109 -4.008 0.652 12.396 788 HD11 ILE 109 HD11 ILE 109 -1.027 -0.415 9.515 789 HD12 ILE 109 HD12 ILE 109 0.002 1.010 9.366 790 HD13 ILE 109 HD13 ILE 109 -1.744 1.196 9.532 791 H GLU 110 H GLU 110 -3.091 1.329 15.064 792 HA GLU 110 HA GLU 110 -1.852 3.814 14.963 793 HB2 GLU 110 HB2 GLU 110 -3.499 2.617 17.195 794 HB3 GLU 110 HB3 GLU 110 -3.153 4.331 16.994 795 HG2 GLU 110 HG2 GLU 110 -4.447 4.469 15.039 796 HG3 GLU 110 HG3 GLU 110 -4.537 2.715 14.882 797 H ALA 111 H ALA 111 -1.381 1.154 17.243 798 HA ALA 111 HA ALA 111 0.162 2.451 19.160 799 HB1 ALA 111 HB1 ALA 111 0.907 0.236 19.835 800 HB2 ALA 111 HB2 ALA 111 0.343 -0.433 18.303 801 HB3 ALA 111 HB3 ALA 111 -0.815 0.227 19.458 802 H VAL 112 H VAL 112 1.226 0.681 16.273 803 HA VAL 112 HA VAL 112 3.989 1.321 16.767 804 HB VAL 112 HB VAL 112 3.671 -0.789 15.770 805 HG11 VAL 112 HG11 VAL 112 1.418 -0.482 14.930 806 HG12 VAL 112 HG12 VAL 112 2.460 -1.149 13.672 807 HG13 VAL 112 HG13 VAL 112 2.022 0.559 13.639 808 HG21 VAL 112 HG21 VAL 112 4.552 1.094 13.580 809 HG22 VAL 112 HG22 VAL 112 4.831 -0.648 13.602 810 HG23 VAL 112 HG23 VAL 112 5.580 0.380 14.823 811 H TYR 113 H TYR 113 1.365 2.626 14.868 812 HA TYR 113 HA TYR 113 2.865 4.230 13.116 813 HB2 TYR 113 HB2 TYR 113 0.459 3.811 12.809 814 HB3 TYR 113 HB3 TYR 113 0.111 4.767 14.247 815 HD1 TYR 113 HD2 TYR 113 1.714 5.011 10.898 816 HD2 TYR 113 HD1 TYR 113 -0.272 7.063 14.052 817 HE1 TYR 113 HE2 TYR 113 1.641 7.044 9.521 818 HE2 TYR 113 HE1 TYR 113 -0.349 9.101 12.682 819 HH TYR 113 HH TYR 113 0.321 9.102 9.359 820 H ASP 114 H ASP 114 1.850 4.705 16.455 821 HA ASP 114 HA ASP 114 2.501 7.368 16.856 822 HB2 ASP 114 HB2 ASP 114 2.413 4.962 18.545 823 HB3 ASP 114 HB3 ASP 114 3.508 6.206 19.132 824 H ALA 115 H ALA 115 4.637 4.581 16.649 825 HA ALA 115 HA ALA 115 7.016 5.920 17.386 826 HB1 ALA 115 HB1 ALA 115 8.173 3.981 16.495 827 HB2 ALA 115 HB2 ALA 115 6.697 3.448 15.689 828 HB3 ALA 115 HB3 ALA 115 6.779 3.480 17.451 829 H LEU 116 H LEU 116 5.488 5.273 14.257 830 HA LEU 116 HA LEU 116 7.534 6.304 12.623 831 HB2 LEU 116 HB2 LEU 116 4.564 6.046 12.229 832 HB3 LEU 116 HB3 LEU 116 5.615 6.698 10.987 833 HG LEU 116 HG LEU 116 5.874 3.934 12.171 834 HD11 LEU 116 HD11 LEU 116 3.822 4.105 10.908 835 HD12 LEU 116 HD12 LEU 116 5.008 3.189 9.978 836 HD13 LEU 116 HD13 LEU 116 4.675 4.871 9.567 837 HD21 LEU 116 HD21 LEU 116 7.985 4.800 11.360 838 HD22 LEU 116 HD22 LEU 116 7.233 5.285 9.840 839 HD23 LEU 116 HD23 LEU 116 7.377 3.574 10.248 840 H MET 117 H MET 117 4.695 7.836 14.061 841 HA MET 117 HA MET 117 5.046 10.371 12.871 842 HB2 MET 117 HB2 MET 117 2.934 9.600 13.876 843 HB3 MET 117 HB3 MET 117 3.677 9.639 15.467 844 HG2 MET 117 HG2 MET 117 3.861 12.008 15.410 845 HG3 MET 117 HG3 MET 117 3.394 12.061 13.711 846 HE1 MET 117 HE1 MET 117 1.791 9.742 16.442 847 HE2 MET 117 HE2 MET 117 0.487 10.759 17.055 848 HE3 MET 117 HE3 MET 117 2.167 11.200 17.362 849 H LYS 118 H LYS 118 6.294 8.915 15.806 850 HA LYS 118 HA LYS 118 7.536 11.324 16.749 851 HB2 LYS 118 HB2 LYS 118 6.843 9.552 18.299 852 HB3 LYS 118 HB3 LYS 118 7.955 8.429 17.537 853 HG2 LYS 118 HG2 LYS 118 9.082 10.934 18.648 854 HG3 LYS 118 HG3 LYS 118 8.533 9.699 19.784 855 HD2 LYS 118 HD2 LYS 118 9.972 8.054 18.703 856 HD3 LYS 118 HD3 LYS 118 10.499 9.267 17.535 857 HE2 LYS 118 HE2 LYS 118 11.533 10.565 19.269 858 HE3 LYS 118 HE3 LYS 118 10.878 9.503 20.514 859 HZ1 LYS 118 HZ1 LYS 118 12.255 7.728 19.753 860 HZ2 LYS 118 HZ2 LYS 118 13.243 9.092 19.980 861 HZ3 LYS 118 HZ3 LYS 118 12.785 8.622 18.415 862 H TRP 119 H TRP 119 8.536 8.498 14.917 863 HA TRP 119 HA TRP 119 11.297 8.781 14.986 864 HB2 TRP 119 HB2 TRP 119 9.987 6.833 14.082 865 HB3 TRP 119 HB3 TRP 119 9.679 7.781 12.632 866 HD1 TRP 119 HD1 TRP 119 12.434 5.850 14.426 867 HE1 TRP 119 HE1 TRP 119 14.392 5.468 12.798 868 HE3 TRP 119 HE3 TRP 119 10.846 8.795 10.563 869 HZ2 TRP 119 HZ2 TRP 119 15.159 6.311 10.215 870 HZ3 TRP 119 HZ3 TRP 119 12.250 8.952 8.546 871 HH2 TRP 119 HH2 TRP 119 14.360 7.737 8.378 872 H VAL 120 H VAL 120 9.031 10.023 12.538 873 HA VAL 120 HA VAL 120 10.971 11.177 10.876 874 HB VAL 120 HB VAL 120 8.656 10.727 10.177 875 HG11 VAL 120 HG11 VAL 120 7.441 11.448 12.129 876 HG12 VAL 120 HG12 VAL 120 6.862 12.309 10.703 877 HG13 VAL 120 HG13 VAL 120 7.932 13.119 11.848 878 HG21 VAL 120 HG21 VAL 120 10.020 12.211 8.842 879 HG22 VAL 120 HG22 VAL 120 9.522 13.588 9.825 880 HG23 VAL 120 HG23 VAL 120 8.340 12.746 8.819 881 H ASP 121 H ASP 121 9.164 12.489 13.576 882 HA ASP 121 HA ASP 121 10.114 15.160 13.315 883 HB2 ASP 121 HB2 ASP 121 8.035 14.726 14.466 884 HB3 ASP 121 HB3 ASP 121 8.845 13.687 15.631 885 H ASP 122 H ASP 122 11.065 12.400 15.308 886 HA ASP 122 HA ASP 122 13.015 13.710 16.863 887 HB2 ASP 122 HB2 ASP 122 12.108 11.589 17.561 888 HB3 ASP 122 HB3 ASP 122 12.695 10.804 16.101 889 H ASN 123 H ASN 123 13.193 12.154 13.715 890 HA ASN 123 HA ASN 123 16.073 12.370 13.624 891 HB2 ASN 123 HB2 ASN 123 14.004 11.369 11.693 892 HB3 ASN 123 HB3 ASN 123 15.669 11.630 11.181 893 HD21 ASN 123 HD21 ASN 123 13.568 9.774 13.263 894 HD22 ASN 123 HD22 ASN 123 14.699 8.503 13.585 895 H GLY 124 H GLY 124 13.515 14.458 13.072 896 HA2 GLY 124 HA2 GLY 124 13.663 16.711 12.560 897 HA3 GLY 124 HA3 GLY 124 15.348 16.472 12.131 898 H PHE 125 H PHE 125 12.389 14.971 10.826 899 HA PHE 125 HA PHE 125 13.066 16.170 8.234 900 HB2 PHE 125 HB2 PHE 125 11.904 13.470 8.896 901 HB3 PHE 125 HB3 PHE 125 11.847 14.166 7.287 902 HD1 PHE 125 HD2 PHE 125 14.043 14.768 6.162 903 HD2 PHE 125 HD1 PHE 125 13.792 12.326 9.639 904 HE1 PHE 125 HE2 PHE 125 16.292 13.891 5.704 905 HE2 PHE 125 HE1 PHE 125 16.043 11.444 9.183 906 HZ PHE 125 HZ PHE 125 17.295 12.225 7.212 907 H ASP 126 H ASP 126 11.159 16.393 6.778 908 HA ASP 126 HA ASP 126 9.066 17.791 8.219 909 HB2 ASP 126 HB2 ASP 126 10.245 18.552 6.047 910 HB3 ASP 126 HB3 ASP 126 9.196 17.398 5.231 911 H LEU 127 H LEU 127 6.767 17.480 6.964 912 HA LEU 127 HA LEU 127 5.911 14.926 7.902 913 HB2 LEU 127 HB2 LEU 127 4.356 16.971 6.312 914 HB3 LEU 127 HB3 LEU 127 3.680 15.624 7.205 915 HG LEU 127 HG LEU 127 5.124 17.985 8.417 916 HD11 LEU 127 HD11 LEU 127 2.925 18.545 9.336 917 HD12 LEU 127 HD12 LEU 127 2.209 17.206 8.438 918 HD13 LEU 127 HD13 LEU 127 2.919 18.569 7.573 919 HD21 LEU 127 HD21 LEU 127 5.494 15.928 9.683 920 HD22 LEU 127 HD22 LEU 127 3.754 15.642 9.735 921 HD23 LEU 127 HD23 LEU 127 4.443 17.040 10.561 922 H SER 128 H SER 128 5.120 13.203 6.782 923 HA SER 128 HA SER 128 6.378 12.687 4.287 924 HB2 SER 128 HB2 SER 128 4.294 11.028 5.709 925 HB3 SER 128 HB3 SER 128 5.488 10.469 4.535 926 HG SER 128 HG SER 128 7.116 10.934 6.007 927 H GLY 129 H GLY 129 2.989 13.096 5.303 928 HA2 GLY 129 HA2 GLY 129 1.187 13.827 4.041 929 HA3 GLY 129 HA3 GLY 129 2.262 13.995 2.665 930 H GLU 130 H GLU 130 2.998 11.012 3.315 931 HA GLU 130 HA GLU 130 0.635 9.717 2.180 932 HB2 GLU 130 HB2 GLU 130 2.523 10.692 0.500 933 HB3 GLU 130 HB3 GLU 130 3.204 9.108 0.829 934 HG2 GLU 130 HG2 GLU 130 0.361 9.407 -0.035 935 HG3 GLU 130 HG3 GLU 130 1.672 9.428 -1.208 936 H ALA 131 H ALA 131 0.502 7.537 2.644 937 HA ALA 131 HA ALA 131 2.799 6.256 3.978 938 HB1 ALA 131 HB1 ALA 131 -0.019 6.210 5.062 939 HB2 ALA 131 HB2 ALA 131 1.323 7.129 5.741 940 HB3 ALA 131 HB3 ALA 131 1.373 5.365 5.738 941 H TYR 132 H TYR 132 3.223 4.398 2.964 942 HA TYR 132 HA TYR 132 1.023 3.000 1.583 943 HB2 TYR 132 HB2 TYR 132 2.213 4.223 -0.088 944 HB3 TYR 132 HB3 TYR 132 3.768 3.730 0.563 945 HD1 TYR 132 HD1 TYR 132 0.680 2.213 -0.922 946 HD2 TYR 132 HD2 TYR 132 4.913 2.046 -0.517 947 HE1 TYR 132 HE1 TYR 132 0.760 0.377 -2.553 948 HE2 TYR 132 HE2 TYR 132 5.002 0.207 -2.147 949 HH TYR 132 HH TYR 132 3.518 -1.530 -3.050 950 H GLU 133 H GLU 133 0.808 0.964 2.334 951 HA GLU 133 HA GLU 133 3.270 -0.556 2.756 952 HB2 GLU 133 HB2 GLU 133 2.458 -1.617 4.761 953 HB3 GLU 133 HB3 GLU 133 2.497 0.122 4.980 954 HG2 GLU 133 HG2 GLU 133 0.093 0.238 4.721 955 HG3 GLU 133 HG3 GLU 133 0.027 -1.495 4.388 956 H ILE 134 H ILE 134 2.770 -2.950 3.003 957 HA ILE 134 HA ILE 134 0.838 -3.693 0.896 958 HB ILE 134 HB ILE 134 3.275 -5.289 1.688 959 HG12 ILE 134 HG12 ILE 134 4.097 -3.128 0.944 960 HG13 ILE 134 HG13 ILE 134 4.433 -4.345 -0.279 961 HG21 ILE 134 HG21 ILE 134 2.996 -6.298 -0.531 962 HG22 ILE 134 HG22 ILE 134 1.564 -5.301 -0.790 963 HG23 ILE 134 HG23 ILE 134 1.572 -6.517 0.487 964 HD11 ILE 134 HD11 ILE 134 2.254 -2.276 -0.349 965 HD12 ILE 134 HD12 ILE 134 2.482 -3.544 -1.554 966 HD13 ILE 134 HD13 ILE 134 3.723 -2.310 -1.325 967 H TYR 135 H TYR 135 -0.693 -5.266 1.417 968 HA TYR 135 HA TYR 135 -0.901 -5.914 4.213 969 HB2 TYR 135 HB2 TYR 135 -2.624 -6.265 1.824 970 HB3 TYR 135 HB3 TYR 135 -2.893 -7.364 3.175 971 HD1 TYR 135 HD1 TYR 135 -1.646 -4.004 3.843 972 HD2 TYR 135 HD2 TYR 135 -5.143 -6.407 3.519 973 HE1 TYR 135 HE1 TYR 135 -2.936 -2.273 5.018 974 HE2 TYR 135 HE2 TYR 135 -6.441 -4.677 4.687 975 HH TYR 135 HH TYR 135 -5.137 -1.533 5.363 976 H LEU 136 H LEU 136 0.368 -7.476 1.445 977 HA LEU 136 HA LEU 136 1.718 -9.284 1.253 978 HB2 LEU 136 HB2 LEU 136 2.399 -8.123 3.569 979 HB3 LEU 136 HB3 LEU 136 1.896 -9.688 4.183 980 HG LEU 136 HG LEU 136 3.499 -10.753 2.572 981 HD11 LEU 136 HD11 LEU 136 3.675 -8.954 0.962 982 HD12 LEU 136 HD12 LEU 136 5.268 -9.310 1.635 983 HD13 LEU 136 HD13 LEU 136 4.372 -7.893 2.184 984 HD21 LEU 136 HD21 LEU 136 4.637 -8.834 4.600 985 HD22 LEU 136 HD22 LEU 136 5.508 -10.185 3.876 986 HD23 LEU 136 HD23 LEU 136 4.103 -10.487 4.900 987 H ASP 137 H ASP 137 1.966 -11.447 3.193 988 HA ASP 137 HA ASP 137 -0.015 -13.168 2.101 989 HB2 ASP 137 HB2 ASP 137 2.015 -13.626 4.296 990 HB3 ASP 137 HB3 ASP 137 1.022 -14.887 3.575 991 H ASN 138 H ASN 138 -1.850 -13.897 2.927 992 HA ASN 138 HA ASN 138 -3.095 -12.710 5.165 993 HB2 ASN 138 HB2 ASN 138 -4.335 -13.640 3.248 994 HB3 ASN 138 HB3 ASN 138 -3.782 -15.257 3.669 995 HD21 ASN 138 HD21 ASN 138 -4.764 -16.354 5.339 996 HD22 ASN 138 HD22 ASN 138 -6.204 -15.789 6.121 997 HA PRO 139 HA PRO 139 -1.465 -15.040 8.577 998 HB2 PRO 139 HB2 PRO 139 -3.755 -15.106 10.137 999 HB3 PRO 139 HB3 PRO 139 -2.594 -13.776 10.086 1000 HG2 PRO 139 HG2 PRO 139 -5.206 -14.076 8.670 1001 HG3 PRO 139 HG3 PRO 139 -4.499 -12.634 9.425 1002 HD2 PRO 139 HD2 PRO 139 -4.469 -12.977 6.769 1003 HD3 PRO 139 HD3 PRO 139 -3.098 -12.227 7.614 1004 H ALA 140 H ALA 140 -2.074 -16.927 10.007 1005 HA ALA 140 HA ALA 140 -2.737 -19.056 10.403 1006 HB1 ALA 140 HB1 ALA 140 -4.635 -20.056 9.262 1007 HB2 ALA 140 HB2 ALA 140 -4.645 -18.740 8.088 1008 HB3 ALA 140 HB3 ALA 140 -5.016 -18.414 9.781 1009 H GLU 141 H GLU 141 -2.185 -18.191 7.039 1010 HA GLU 141 HA GLU 141 -1.004 -20.759 6.440 1011 HB2 GLU 141 HB2 GLU 141 -2.161 -19.405 4.700 1012 HB3 GLU 141 HB3 GLU 141 -0.894 -18.194 4.839 1013 HG2 GLU 141 HG2 GLU 141 0.729 -19.646 3.950 1014 HG3 GLU 141 HG3 GLU 141 -0.327 -21.047 4.123 1015 H THR 142 H THR 142 0.002 -17.569 7.387 1016 HA THR 142 HA THR 142 2.762 -18.527 7.651 1017 HB THR 142 HB THR 142 2.521 -16.406 6.425 1018 HG1 THR 142 HG1 THR 142 4.411 -16.622 7.656 1019 HG21 THR 142 HG21 THR 142 1.333 -15.340 8.985 1020 HG22 THR 142 HG22 THR 142 0.469 -15.592 7.470 1021 HG23 THR 142 HG23 THR 142 1.748 -14.383 7.565 1022 H ALA 143 H ALA 143 3.770 -17.339 9.756 1023 HA ALA 143 HA ALA 143 2.526 -18.800 11.867 1024 HB1 ALA 143 HB1 ALA 143 4.953 -18.624 11.668 1025 HB2 ALA 143 HB2 ALA 143 4.391 -18.031 13.230 1026 HB3 ALA 143 HB3 ALA 143 4.855 -16.889 11.968 1027 HA PRO 144 HA PRO 144 0.160 -15.511 13.721 1028 HB2 PRO 144 HB2 PRO 144 0.190 -17.033 16.196 1029 HB3 PRO 144 HB3 PRO 144 -1.164 -16.721 15.107 1030 HG2 PRO 144 HG2 PRO 144 -0.034 -19.178 15.429 1031 HG3 PRO 144 HG3 PRO 144 -0.831 -18.657 13.934 1032 HD2 PRO 144 HD2 PRO 144 2.086 -18.803 14.576 1033 HD3 PRO 144 HD3 PRO 144 1.236 -19.179 13.069 1034 H ASP 145 H ASP 145 0.565 -13.823 14.981 1035 HA ASP 145 HA ASP 145 1.677 -12.319 16.293 1036 HB2 ASP 145 HB2 ASP 145 1.428 -14.099 18.030 1037 HB3 ASP 145 HB3 ASP 145 2.982 -14.756 17.540 1038 H GLN 146 H GLN 146 2.696 -13.401 13.759 1039 HA GLN 146 HA GLN 146 5.357 -12.215 13.920 1040 HB2 GLN 146 HB2 GLN 146 5.432 -14.793 14.064 1041 HB3 GLN 146 HB3 GLN 146 4.917 -14.772 12.384 1042 HG2 GLN 146 HG2 GLN 146 6.912 -13.470 11.804 1043 HG3 GLN 146 HG3 GLN 146 7.436 -13.546 13.485 1044 HE21 GLN 146 HE21 GLN 146 7.016 -15.284 10.529 1045 HE22 GLN 146 HE22 GLN 146 7.914 -16.693 10.980 1046 H LEU 147 H LEU 147 2.634 -11.536 12.924 1047 HA LEU 147 HA LEU 147 2.676 -11.712 10.069 1048 HB2 LEU 147 HB2 LEU 147 0.967 -10.054 11.925 1049 HB3 LEU 147 HB3 LEU 147 0.726 -10.172 10.192 1050 HG LEU 147 HG LEU 147 0.491 -12.445 12.169 1051 HD11 LEU 147 HD11 LEU 147 -1.878 -12.390 11.591 1052 HD12 LEU 147 HD12 LEU 147 -1.598 -10.995 10.550 1053 HD13 LEU 147 HD13 LEU 147 -1.358 -10.857 12.292 1054 HD21 LEU 147 HD21 LEU 147 -0.292 -13.761 10.272 1055 HD22 LEU 147 HD22 LEU 147 1.355 -13.191 10.000 1056 HD23 LEU 147 HD23 LEU 147 0.002 -12.398 9.192 1057 H ARG 148 H ARG 148 4.171 -10.661 8.976 1058 HA ARG 148 HA ARG 148 5.125 -8.085 9.944 1059 HB2 ARG 148 HB2 ARG 148 6.868 -8.416 8.119 1060 HB3 ARG 148 HB3 ARG 148 6.926 -9.524 9.482 1061 HG2 ARG 148 HG2 ARG 148 6.064 -11.299 8.223 1062 HG3 ARG 148 HG3 ARG 148 5.488 -10.227 6.946 1063 HD2 ARG 148 HD2 ARG 148 8.401 -10.588 7.615 1064 HD3 ARG 148 HD3 ARG 148 7.560 -11.566 6.413 1065 HE ARG 148 HE ARG 148 7.455 -8.666 6.102 1066 HH11 ARG 148 HH11 ARG 148 8.823 -11.727 5.098 1067 HH12 ARG 148 HH12 ARG 148 9.404 -11.114 3.576 1068 HH21 ARG 148 HH21 ARG 148 8.203 -7.864 4.071 1069 HH22 ARG 148 HH22 ARG 148 9.036 -8.934 2.990 1070 H THR 149 H THR 149 4.111 -6.329 9.203 1071 HA THR 149 HA THR 149 3.377 -6.261 6.365 1072 HB THR 149 HB THR 149 1.897 -5.263 8.380 1073 HG1 THR 149 HG1 THR 149 1.115 -3.697 6.749 1074 HG21 THR 149 HG21 THR 149 2.216 -2.851 8.579 1075 HG22 THR 149 HG22 THR 149 3.681 -2.959 7.602 1076 HG23 THR 149 HG23 THR 149 3.617 -3.731 9.187 1077 H ARG 150 H ARG 150 4.012 -4.067 5.308 1078 HA ARG 150 HA ARG 150 6.552 -3.093 6.400 1079 HB2 ARG 150 HB2 ARG 150 7.395 -2.873 4.022 1080 HB3 ARG 150 HB3 ARG 150 7.322 -4.505 4.668 1081 HG2 ARG 150 HG2 ARG 150 5.668 -5.142 3.249 1082 HG3 ARG 150 HG3 ARG 150 4.979 -3.521 3.146 1083 HD2 ARG 150 HD2 ARG 150 7.580 -4.387 1.891 1084 HD3 ARG 150 HD3 ARG 150 6.043 -4.226 1.039 1085 HE ARG 150 HE ARG 150 6.475 -1.800 2.273 1086 HH11 ARG 150 HH11 ARG 150 8.130 -3.762 -0.111 1087 HH12 ARG 150 HH12 ARG 150 8.875 -2.401 -0.899 1088 HH21 ARG 150 HH21 ARG 150 7.439 -0.005 1.235 1089 HH22 ARG 150 HH22 ARG 150 8.453 -0.272 -0.150 1090 H VAL 151 H VAL 151 5.600 -1.251 7.166 1091 HA VAL 151 HA VAL 151 3.980 0.336 5.351 1092 HB VAL 151 HB VAL 151 3.204 0.107 7.682 1093 HG11 VAL 151 HG11 VAL 151 5.313 -0.042 8.844 1094 HG12 VAL 151 HG12 VAL 151 4.351 1.284 9.498 1095 HG13 VAL 151 HG13 VAL 151 5.698 1.624 8.411 1096 HG21 VAL 151 HG21 VAL 151 2.544 2.069 6.418 1097 HG22 VAL 151 HG22 VAL 151 3.997 2.920 6.941 1098 HG23 VAL 151 HG23 VAL 151 2.763 2.476 8.119 1099 H SER 152 H SER 152 4.880 1.704 4.027 1100 HA SER 152 HA SER 152 7.509 2.810 4.709 1101 HB2 SER 152 HB2 SER 152 6.109 2.625 2.026 1102 HB3 SER 152 HB3 SER 152 7.741 3.240 2.297 1103 HG SER 152 HG SER 152 8.325 1.166 3.068 1104 H LEU 153 H LEU 153 7.568 4.796 5.406 1105 HA LEU 153 HA LEU 153 5.336 6.607 4.795 1106 HB2 LEU 153 HB2 LEU 153 6.046 6.002 7.196 1107 HB3 LEU 153 HB3 LEU 153 7.461 6.987 6.896 1108 HG LEU 153 HG LEU 153 5.980 8.931 6.478 1109 HD11 LEU 153 HD11 LEU 153 3.627 8.785 7.136 1110 HD12 LEU 153 HD12 LEU 153 3.809 7.052 7.403 1111 HD13 LEU 153 HD13 LEU 153 3.982 7.717 5.780 1112 HD21 LEU 153 HD21 LEU 153 5.644 7.551 9.138 1113 HD22 LEU 153 HD22 LEU 153 5.341 9.261 8.829 1114 HD23 LEU 153 HD23 LEU 153 6.973 8.611 8.667 1115 H MET 154 H MET 154 5.712 8.474 3.672 1116 HA MET 154 HA MET 154 7.972 8.626 2.028 1117 HB2 MET 154 HB2 MET 154 5.916 10.707 2.744 1118 HB3 MET 154 HB3 MET 154 7.194 11.000 1.576 1119 HG2 MET 154 HG2 MET 154 5.254 8.723 1.320 1120 HG3 MET 154 HG3 MET 154 4.942 10.326 0.661 1121 HE1 MET 154 HE1 MET 154 6.730 6.920 0.168 1122 HE2 MET 154 HE2 MET 154 8.068 7.864 0.822 1123 HE3 MET 154 HE3 MET 154 8.105 7.328 -0.859 1124 H LEU 155 H LEU 155 9.943 9.373 2.289 1125 HA LEU 155 HA LEU 155 10.540 11.249 4.446 1126 HB2 LEU 155 HB2 LEU 155 10.783 8.696 5.048 1127 HB3 LEU 155 HB3 LEU 155 12.243 8.801 4.089 1128 HG LEU 155 HG LEU 155 12.552 9.013 6.575 1129 HD11 LEU 155 HD11 LEU 155 13.466 11.365 4.926 1130 HD12 LEU 155 HD12 LEU 155 14.255 9.788 5.007 1131 HD13 LEU 155 HD13 LEU 155 14.180 10.811 6.442 1132 HD21 LEU 155 HD21 LEU 155 10.562 10.349 7.040 1133 HD22 LEU 155 HD22 LEU 155 11.250 11.697 6.133 1134 HD23 LEU 155 HD23 LEU 155 12.023 11.148 7.619 1135 H HIS 156 H HIS 156 12.313 12.550 3.968 1136 HA HIS 156 HA HIS 156 13.956 13.561 2.759 1137 HB2 HIS 156 HB2 HIS 156 14.898 11.205 2.616 1138 HB3 HIS 156 HB3 HIS 156 14.104 11.064 1.056 1139 HD1 HIS 156 HD1 HIS 156 17.213 12.024 2.578 1140 HD2 HIS 156 HD2 HIS 156 15.127 13.113 -0.855 1141 HE1 HIS 156 HE1 HIS 156 18.902 13.124 1.076 1142 HE2 HIS 156 HE2 HIS 156 17.670 13.563 -1.076 1143 H GLU 157 H GLU 157 13.312 15.199 1.587 1144 HA GLU 157 HA GLU 157 12.423 16.473 -0.063 1145 HB2 GLU 157 HB2 GLU 157 13.591 14.937 -1.618 1146 HB3 GLU 157 HB3 GLU 157 12.175 13.897 -1.631 1147 HG2 GLU 157 HG2 GLU 157 12.301 15.301 -3.622 1148 HG3 GLU 157 HG3 GLU 157 10.861 15.647 -2.666 1149 H SER 158 H SER 158 10.694 16.954 1.273 1150 HA SER 158 HA SER 158 8.385 15.323 1.530 1151 HB2 SER 158 HB2 SER 158 9.051 16.959 3.248 1152 HB3 SER 158 HB3 SER 158 8.763 18.274 2.111 1153 HG SER 158 HG SER 158 7.038 17.514 3.742 1154 H LEU 159 H LEU 159 6.541 15.275 0.373 1155 HA LEU 159 HA LEU 159 6.373 17.105 -1.915 1156 HB2 LEU 159 HB2 LEU 159 4.777 15.082 -2.693 1157 HB3 LEU 159 HB3 LEU 159 6.478 15.198 -3.090 1158 HG LEU 159 HG LEU 159 6.914 13.750 -1.033 1159 HD11 LEU 159 HD11 LEU 159 4.751 14.040 0.057 1160 HD12 LEU 159 HD12 LEU 159 5.080 12.341 -0.276 1161 HD13 LEU 159 HD13 LEU 159 3.955 13.240 -1.296 1162 HD21 LEU 159 HD21 LEU 159 7.076 12.919 -3.316 1163 HD22 LEU 159 HD22 LEU 159 5.343 12.584 -3.327 1164 HD23 LEU 159 HD23 LEU 159 6.409 11.692 -2.240 1165 H GLU 160 H GLU 160 5.100 18.700 -1.115 1166 HA GLU 160 HA GLU 160 2.627 18.037 0.226 1167 HB2 GLU 160 HB2 GLU 160 4.016 20.049 0.849 1168 HB3 GLU 160 HB3 GLU 160 3.548 20.767 -0.688 1169 HG2 GLU 160 HG2 GLU 160 1.157 20.498 0.030 1170 HG3 GLU 160 HG3 GLU 160 1.761 20.044 1.622 1171 H HIS 161 H HIS 161 2.246 16.752 -1.887 1172 HA HIS 161 HA HIS 161 1.158 18.387 -4.031 1173 HB2 HIS 161 HB2 HIS 161 2.491 16.322 -4.509 1174 HB3 HIS 161 HB3 HIS 161 1.204 15.370 -3.781 1175 HD1 HIS 161 HD1 HIS 161 -0.093 14.275 -5.568 1176 HD2 HIS 161 HD2 HIS 161 1.101 18.108 -6.655 1177 HE1 HIS 161 HE1 HIS 161 -1.075 14.669 -7.850 1178 HE2 HIS 161 HE2 HIS 161 -0.100 16.873 -8.590 1179 H HIS 162 H HIS 162 -0.663 19.335 -3.301 1180 HA HIS 162 HA HIS 162 -2.774 17.558 -2.288 1181 HB2 HIS 162 HB2 HIS 162 -3.542 19.399 -0.793 1182 HB3 HIS 162 HB3 HIS 162 -1.959 18.771 -0.375 1183 HD1 HIS 162 HD1 HIS 162 -3.259 21.693 0.241 1184 HD2 HIS 162 HD2 HIS 162 -0.241 20.751 -2.466 1185 HE1 HIS 162 HE1 HIS 162 -1.951 23.814 -0.095 1186 HE2 HIS 162 HE2 HIS 162 -0.013 23.158 -1.564 1187 H HIS 163 H HIS 163 -4.373 17.460 -3.657 1188 HA HIS 163 HA HIS 163 -4.799 19.616 -5.547 1189 HB2 HIS 163 HB2 HIS 163 -6.365 18.137 -6.665 1190 HB3 HIS 163 HB3 HIS 163 -4.863 17.284 -6.350 1191 HD1 HIS 163 HD1 HIS 163 -4.955 15.363 -4.548 1192 HD2 HIS 163 HD2 HIS 163 -8.635 17.062 -5.485 1193 HE1 HIS 163 HE1 HIS 163 -6.686 13.756 -3.686 1194 HE2 HIS 163 HE2 HIS 163 -8.894 14.739 -4.388 1195 H HIS 164 H HIS 164 -6.142 21.185 -5.269 1196 HA HIS 164 HA HIS 164 -7.769 22.538 -4.484 1197 HB2 HIS 164 HB2 HIS 164 -9.188 20.472 -5.163 1198 HB3 HIS 164 HB3 HIS 164 -9.305 20.180 -3.429 1199 HD1 HIS 164 HD1 HIS 164 -11.165 21.358 -2.259 1200 HD2 HIS 164 HD2 HIS 164 -10.212 23.130 -5.902 1201 HE1 HIS 164 HE1 HIS 164 -12.862 23.184 -2.598 1202 HE2 HIS 164 HE2 HIS 164 -12.300 24.206 -4.831 1203 H HIS 165 H HIS 165 -7.485 23.799 -2.801 1204 HA HIS 165 HA HIS 165 -6.167 22.972 -0.453 1205 HB2 HIS 165 HB2 HIS 165 -7.849 25.461 -0.855 1206 HB3 HIS 165 HB3 HIS 165 -6.664 25.213 0.420 1207 HD1 HIS 165 HD1 HIS 165 -6.910 27.124 -2.408 1208 HD2 HIS 165 HD2 HIS 165 -4.035 24.388 -1.172 1209 HE1 HIS 165 HE1 HIS 165 -4.828 27.717 -3.684 1210 HE2 HIS 165 HE2 HIS 165 -3.125 25.985 -3.007 1211 H HIS 166 H HIS 166 -9.443 24.344 -0.569 1212 HA HIS 166 HA HIS 166 -10.779 22.135 0.493 1213 HB2 HIS 166 HB2 HIS 166 -9.518 22.674 2.572 1214 HB3 HIS 166 HB3 HIS 166 -10.248 24.278 2.571 1215 HD1 HIS 166 HD1 HIS 166 -12.221 24.456 4.040 1216 HD2 HIS 166 HD2 HIS 166 -11.714 20.589 2.595 1217 HE1 HIS 166 HE1 HIS 166 -14.085 23.099 5.060 1218 HE2 HIS 166 HE2 HIS 166 -13.884 20.825 3.986 Start of MODEL 16 1 H1 MET 1 H1 MET 1 2.915 -19.495 17.484 2 H2 MET 1 H2 MET 1 2.030 -19.296 16.050 3 H3 MET 1 H3 MET 1 1.300 -18.980 17.544 4 HA MET 1 HA MET 1 1.898 -16.955 16.356 5 HB2 MET 1 HB2 MET 1 3.427 -17.479 18.910 6 HB3 MET 1 HB3 MET 1 3.144 -15.886 18.224 7 HG2 MET 1 HG2 MET 1 0.734 -16.206 18.472 8 HG3 MET 1 HG3 MET 1 1.021 -17.801 19.165 9 HE1 MET 1 HE1 MET 1 -0.479 -17.119 21.258 10 HE2 MET 1 HE2 MET 1 -0.736 -15.520 20.559 11 HE3 MET 1 HE3 MET 1 -0.197 -15.675 22.233 12 H ASP 2 H ASP 2 4.549 -19.184 16.873 13 HA ASP 2 HA ASP 2 6.623 -19.365 15.966 14 HB2 ASP 2 HB2 ASP 2 5.222 -18.757 13.848 15 HB3 ASP 2 HB3 ASP 2 5.991 -17.185 13.986 16 H PHE 3 H PHE 3 8.137 -17.162 14.724 17 HA PHE 3 HA PHE 3 8.891 -15.873 17.240 18 HB2 PHE 3 HB2 PHE 3 10.370 -16.294 14.645 19 HB3 PHE 3 HB3 PHE 3 10.994 -15.312 15.963 20 HD1 PHE 3 HD2 PHE 3 10.219 -18.703 14.848 21 HD2 PHE 3 HD1 PHE 3 11.760 -16.322 18.020 22 HE1 PHE 3 HE2 PHE 3 11.145 -20.721 15.908 23 HE2 PHE 3 HE1 PHE 3 12.685 -18.335 19.091 24 HZ PHE 3 HZ PHE 3 12.378 -20.541 18.033 25 H GLU 4 H GLU 4 9.058 -13.708 17.501 26 HA GLU 4 HA GLU 4 7.493 -12.086 15.644 27 HB2 GLU 4 HB2 GLU 4 6.998 -12.102 18.081 28 HB3 GLU 4 HB3 GLU 4 8.593 -11.440 18.390 29 HG2 GLU 4 HG2 GLU 4 7.968 -9.428 17.103 30 HG3 GLU 4 HG3 GLU 4 6.345 -10.091 16.910 31 H CYS 5 H CYS 5 8.260 -9.880 15.136 32 HA CYS 5 HA CYS 5 11.098 -9.938 14.441 33 HB2 CYS 5 HB2 CYS 5 10.514 -8.049 12.947 34 HB3 CYS 5 HB3 CYS 5 9.530 -9.476 12.631 35 HG CYS 5 HG CYS 5 8.036 -7.036 12.405 36 H GLN 6 H GLN 6 11.946 -7.480 14.320 37 HA GLN 6 HA GLN 6 11.653 -6.404 17.034 38 HB2 GLN 6 HB2 GLN 6 13.932 -6.958 16.254 39 HB3 GLN 6 HB3 GLN 6 13.740 -5.845 14.911 40 HG2 GLN 6 HG2 GLN 6 13.224 -4.494 17.387 41 HG3 GLN 6 HG3 GLN 6 14.785 -5.314 17.449 42 HE21 GLN 6 HE21 GLN 6 12.886 -2.863 15.884 43 HE22 GLN 6 HE22 GLN 6 14.202 -2.086 15.064 44 H PHE 7 H PHE 7 10.227 -6.065 14.205 45 HA PHE 7 HA PHE 7 9.033 -4.499 13.092 46 HB2 PHE 7 HB2 PHE 7 9.256 -2.914 15.664 47 HB3 PHE 7 HB3 PHE 7 8.084 -2.661 14.378 48 HD1 PHE 7 HD2 PHE 7 6.478 -4.587 13.858 49 HD2 PHE 7 HD1 PHE 7 8.773 -4.333 17.431 50 HE1 PHE 7 HE2 PHE 7 4.934 -6.156 14.956 51 HE2 PHE 7 HE1 PHE 7 7.233 -5.897 18.541 52 HZ PHE 7 HZ PHE 7 5.307 -6.811 17.302 53 H VAL 8 H VAL 8 11.598 -4.507 12.391 54 HA VAL 8 HA VAL 8 13.091 -2.185 12.702 55 HB VAL 8 HB VAL 8 14.063 -4.206 11.785 56 HG11 VAL 8 HG11 VAL 8 12.179 -5.013 10.470 57 HG12 VAL 8 HG12 VAL 8 13.644 -4.934 9.491 58 HG13 VAL 8 HG13 VAL 8 12.401 -3.694 9.323 59 HG21 VAL 8 HG21 VAL 8 15.177 -2.105 11.290 60 HG22 VAL 8 HG22 VAL 8 14.204 -1.917 9.830 61 HG23 VAL 8 HG23 VAL 8 15.364 -3.239 9.951 62 H CYS 9 H CYS 9 12.595 -0.186 12.228 63 HA CYS 9 HA CYS 9 11.000 0.379 9.822 64 HB2 CYS 9 HB2 CYS 9 9.914 1.125 11.886 65 HB3 CYS 9 HB3 CYS 9 11.355 2.029 12.337 66 HG CYS 9 HG CYS 9 10.479 4.212 11.333 67 H GLU 10 H GLU 10 11.923 1.525 8.227 68 HA GLU 10 HA GLU 10 14.216 3.225 8.750 69 HB2 GLU 10 HB2 GLU 10 15.102 0.882 8.421 70 HB3 GLU 10 HB3 GLU 10 14.453 0.937 6.788 71 HG2 GLU 10 HG2 GLU 10 15.887 2.867 6.301 72 HG3 GLU 10 HG3 GLU 10 16.563 2.755 7.925 73 H LEU 11 H LEU 11 14.765 4.554 6.935 74 HA LEU 11 HA LEU 11 12.493 5.192 5.254 75 HB2 LEU 11 HB2 LEU 11 13.858 6.941 6.391 76 HB3 LEU 11 HB3 LEU 11 15.227 6.470 5.406 77 HG LEU 11 HG LEU 11 13.842 7.084 3.380 78 HD11 LEU 11 HD11 LEU 11 12.100 8.346 5.493 79 HD12 LEU 11 HD12 LEU 11 11.651 7.007 4.437 80 HD13 LEU 11 HD13 LEU 11 11.964 8.603 3.754 81 HD21 LEU 11 HD21 LEU 11 15.619 8.518 4.253 82 HD22 LEU 11 HD22 LEU 11 14.473 9.267 5.365 83 HD23 LEU 11 HD23 LEU 11 14.275 9.472 3.625 84 H LYS 12 H LYS 12 12.234 4.311 3.312 85 HA LYS 12 HA LYS 12 14.640 3.594 1.780 86 HB2 LYS 12 HB2 LYS 12 13.408 1.632 0.879 87 HB3 LYS 12 HB3 LYS 12 13.721 1.518 2.606 88 HG2 LYS 12 HG2 LYS 12 11.445 2.130 3.102 89 HG3 LYS 12 HG3 LYS 12 11.113 2.402 1.392 90 HD2 LYS 12 HD2 LYS 12 10.208 0.272 1.973 91 HD3 LYS 12 HD3 LYS 12 11.640 -0.011 0.987 92 HE2 LYS 12 HE2 LYS 12 11.814 -0.003 3.980 93 HE3 LYS 12 HE3 LYS 12 11.259 -1.434 3.119 94 HZ1 LYS 12 HZ1 LYS 12 13.910 -0.114 2.903 95 HZ2 LYS 12 HZ2 LYS 12 13.373 -1.300 1.815 96 HZ3 LYS 12 HZ3 LYS 12 13.565 -1.683 3.455 97 H GLU 13 H GLU 13 14.523 3.851 -0.431 98 HA GLU 13 HA GLU 13 12.442 5.639 -1.391 99 HB2 GLU 13 HB2 GLU 13 14.784 6.112 -1.948 100 HB3 GLU 13 HB3 GLU 13 14.925 4.549 -2.736 101 HG2 GLU 13 HG2 GLU 13 13.370 5.218 -4.446 102 HG3 GLU 13 HG3 GLU 13 13.070 6.745 -3.619 103 H LEU 14 H LEU 14 10.664 4.883 -2.302 104 HA LEU 14 HA LEU 14 10.423 2.071 -2.885 105 HB2 LEU 14 HB2 LEU 14 8.482 4.368 -2.954 106 HB3 LEU 14 HB3 LEU 14 8.048 2.780 -3.554 107 HG LEU 14 HG LEU 14 7.197 2.995 -1.332 108 HD11 LEU 14 HD11 LEU 14 8.296 1.139 -0.198 109 HD12 LEU 14 HD12 LEU 14 9.670 1.275 -1.295 110 HD13 LEU 14 HD13 LEU 14 8.086 0.809 -1.917 111 HD21 LEU 14 HD21 LEU 14 10.001 3.656 -0.445 112 HD22 LEU 14 HD22 LEU 14 8.594 3.464 0.602 113 HD23 LEU 14 HD23 LEU 14 8.659 4.796 -0.553 114 H ALA 15 H ALA 15 10.897 1.188 -4.753 115 HA ALA 15 HA ALA 15 11.218 2.738 -7.150 116 HB1 ALA 15 HB1 ALA 15 11.236 -0.254 -6.730 117 HB2 ALA 15 HB2 ALA 15 12.646 0.804 -6.720 118 HB3 ALA 15 HB3 ALA 15 11.726 0.577 -8.206 119 HA PRO 16 HA PRO 16 7.030 2.306 -8.493 120 HB2 PRO 16 HB2 PRO 16 7.263 3.159 -11.020 121 HB3 PRO 16 HB3 PRO 16 7.493 4.250 -9.648 122 HG2 PRO 16 HG2 PRO 16 9.535 2.920 -11.376 123 HG3 PRO 16 HG3 PRO 16 9.521 4.566 -10.718 124 HD2 PRO 16 HD2 PRO 16 10.936 2.449 -9.633 125 HD3 PRO 16 HD3 PRO 16 10.447 3.901 -8.739 126 H VAL 17 H VAL 17 5.657 1.086 -9.877 127 HA VAL 17 HA VAL 17 6.832 -1.007 -11.508 128 HB VAL 17 HB VAL 17 6.948 -2.004 -9.289 129 HG11 VAL 17 HG11 VAL 17 5.311 -0.661 -8.130 130 HG12 VAL 17 HG12 VAL 17 4.924 -2.371 -7.935 131 HG13 VAL 17 HG13 VAL 17 4.008 -1.382 -9.073 132 HG21 VAL 17 HG21 VAL 17 4.656 -3.152 -10.876 133 HG22 VAL 17 HG22 VAL 17 5.536 -3.991 -9.599 134 HG23 VAL 17 HG23 VAL 17 6.367 -3.524 -11.082 135 HA PRO 18 HA PRO 18 2.935 -0.426 -13.715 136 HB2 PRO 18 HB2 PRO 18 3.372 -3.241 -14.546 137 HB3 PRO 18 HB3 PRO 18 3.120 -1.803 -15.541 138 HG2 PRO 18 HG2 PRO 18 5.529 -2.926 -15.353 139 HG3 PRO 18 HG3 PRO 18 5.342 -1.162 -15.413 140 HD2 PRO 18 HD2 PRO 18 5.886 -2.932 -13.059 141 HD3 PRO 18 HD3 PRO 18 6.567 -1.340 -13.453 142 H ALA 19 H ALA 19 1.089 -0.508 -12.625 143 HA ALA 19 HA ALA 19 0.160 -3.008 -11.468 144 HB1 ALA 19 HB1 ALA 19 0.620 -0.558 -9.765 145 HB2 ALA 19 HB2 ALA 19 1.586 -2.033 -9.722 146 HB3 ALA 19 HB3 ALA 19 -0.109 -2.075 -9.236 147 H LEU 20 H LEU 20 -1.964 -2.458 -10.181 148 HA LEU 20 HA LEU 20 -3.544 -0.549 -11.765 149 HB2 LEU 20 HB2 LEU 20 -4.356 -2.926 -10.098 150 HB3 LEU 20 HB3 LEU 20 -5.509 -1.747 -10.691 151 HG LEU 20 HG LEU 20 -3.794 -3.587 -12.357 152 HD11 LEU 20 HD11 LEU 20 -6.776 -3.417 -11.952 153 HD12 LEU 20 HD12 LEU 20 -5.713 -4.655 -11.286 154 HD13 LEU 20 HD13 LEU 20 -5.938 -4.532 -13.030 155 HD21 LEU 20 HD21 LEU 20 -4.040 -1.389 -13.419 156 HD22 LEU 20 HD22 LEU 20 -5.793 -1.514 -13.250 157 HD23 LEU 20 HD23 LEU 20 -4.923 -2.647 -14.285 158 H LEU 21 H LEU 21 -4.048 1.315 -10.816 159 HA LEU 21 HA LEU 21 -4.015 1.397 -7.876 160 HB2 LEU 21 HB2 LEU 21 -3.395 3.777 -8.035 161 HB3 LEU 21 HB3 LEU 21 -2.180 2.710 -8.706 162 HG LEU 21 HG LEU 21 -4.170 4.025 -10.528 163 HD11 LEU 21 HD11 LEU 21 -1.625 5.257 -9.479 164 HD12 LEU 21 HD12 LEU 21 -3.264 5.826 -9.162 165 HD13 LEU 21 HD13 LEU 21 -2.607 5.895 -10.798 166 HD21 LEU 21 HD21 LEU 21 -2.327 3.844 -12.120 167 HD22 LEU 21 HD22 LEU 21 -2.703 2.270 -11.417 168 HD23 LEU 21 HD23 LEU 21 -1.292 3.170 -10.860 169 H ILE 22 H ILE 22 -5.653 2.373 -6.829 170 HA ILE 22 HA ILE 22 -7.875 3.433 -8.447 171 HB ILE 22 HB ILE 22 -8.115 1.894 -5.846 172 HG12 ILE 22 HG12 ILE 22 -9.508 0.347 -7.438 173 HG13 ILE 22 HG13 ILE 22 -8.526 1.078 -8.701 174 HG21 ILE 22 HG21 ILE 22 -10.256 3.003 -7.652 175 HG22 ILE 22 HG22 ILE 22 -9.803 3.630 -6.068 176 HG23 ILE 22 HG23 ILE 22 -10.527 2.028 -6.208 177 HD11 ILE 22 HD11 ILE 22 -7.493 -0.435 -6.315 178 HD12 ILE 22 HD12 ILE 22 -6.506 0.299 -7.579 179 HD13 ILE 22 HD13 ILE 22 -7.591 -1.035 -7.972 180 H ARG 23 H ARG 23 -7.734 5.604 -8.125 181 HA ARG 23 HA ARG 23 -6.888 6.576 -5.521 182 HB2 ARG 23 HB2 ARG 23 -6.979 8.838 -6.571 183 HB3 ARG 23 HB3 ARG 23 -5.866 7.723 -7.347 184 HG2 ARG 23 HG2 ARG 23 -7.386 7.391 -9.172 185 HG3 ARG 23 HG3 ARG 23 -8.633 8.340 -8.357 186 HD2 ARG 23 HD2 ARG 23 -7.257 10.328 -8.493 187 HD3 ARG 23 HD3 ARG 23 -5.937 9.399 -9.198 188 HE ARG 23 HE ARG 23 -7.480 9.019 -11.126 189 HH11 ARG 23 HH11 ARG 23 -7.965 11.758 -8.999 190 HH12 ARG 23 HH12 ARG 23 -8.614 12.771 -10.257 191 HH21 ARG 23 HH21 ARG 23 -8.345 10.332 -12.772 192 HH22 ARG 23 HH22 ARG 23 -8.839 11.959 -12.399 193 H THR 24 H THR 24 -8.317 6.703 -4.008 194 HA THR 24 HA THR 24 -10.997 7.738 -4.646 195 HB THR 24 HB THR 24 -10.315 5.497 -2.728 196 HG1 THR 24 HG1 THR 24 -10.920 5.518 -5.353 197 HG21 THR 24 HG21 THR 24 -12.154 6.834 -1.866 198 HG22 THR 24 HG22 THR 24 -12.754 5.277 -2.439 199 HG23 THR 24 HG23 THR 24 -12.986 6.726 -3.417 200 H GLN 25 H GLN 25 -11.622 9.399 -3.379 201 HA GLN 25 HA GLN 25 -10.055 9.942 -0.968 202 HB2 GLN 25 HB2 GLN 25 -11.008 12.168 -0.977 203 HB3 GLN 25 HB3 GLN 25 -10.318 11.812 -2.549 204 HG2 GLN 25 HG2 GLN 25 -13.254 11.715 -1.879 205 HG3 GLN 25 HG3 GLN 25 -12.436 13.052 -2.679 206 HE21 GLN 25 HE21 GLN 25 -13.691 9.853 -2.996 207 HE22 GLN 25 HE22 GLN 25 -13.519 9.726 -4.719 208 H THR 26 H THR 26 -10.811 9.237 0.901 209 HA THR 26 HA THR 26 -13.507 8.196 0.977 210 HB THR 26 HB THR 26 -11.681 6.874 1.960 211 HG1 THR 26 HG1 THR 26 -13.410 6.215 2.999 212 HG21 THR 26 HG21 THR 26 -10.282 8.672 2.838 213 HG22 THR 26 HG22 THR 26 -10.696 7.522 4.110 214 HG23 THR 26 HG23 THR 26 -11.526 9.076 4.025 215 H ALA 27 H ALA 27 -15.181 8.962 2.129 216 HA ALA 27 HA ALA 27 -14.845 11.628 3.320 217 HB1 ALA 27 HB1 ALA 27 -16.311 11.575 1.361 218 HB2 ALA 27 HB2 ALA 27 -17.214 11.983 2.819 219 HB3 ALA 27 HB3 ALA 27 -17.319 10.359 2.143 220 H MET 28 H MET 28 -15.315 11.917 5.405 221 HA MET 28 HA MET 28 -15.969 11.535 7.544 222 HB2 MET 28 HB2 MET 28 -18.039 9.794 6.197 223 HB3 MET 28 HB3 MET 28 -18.058 10.216 7.904 224 HG2 MET 28 HG2 MET 28 -18.248 12.582 7.309 225 HG3 MET 28 HG3 MET 28 -18.249 12.144 5.601 226 HE1 MET 28 HE1 MET 28 -20.152 11.814 9.017 227 HE2 MET 28 HE2 MET 28 -19.974 10.137 8.505 228 HE3 MET 28 HE3 MET 28 -21.572 10.881 8.544 229 H SER 29 H SER 29 -13.960 9.850 6.265 230 HA SER 29 HA SER 29 -12.638 8.064 6.707 231 HB2 SER 29 HB2 SER 29 -14.084 8.132 9.365 232 HB3 SER 29 HB3 SER 29 -12.565 7.295 9.043 233 HG SER 29 HG SER 29 -12.698 10.001 8.383 234 H GLU 30 H GLU 30 -15.041 7.519 5.315 235 HA GLU 30 HA GLU 30 -16.060 5.000 6.312 236 HB2 GLU 30 HB2 GLU 30 -17.352 6.784 4.945 237 HB3 GLU 30 HB3 GLU 30 -16.521 6.113 3.549 238 HG2 GLU 30 HG2 GLU 30 -18.761 5.178 3.829 239 HG3 GLU 30 HG3 GLU 30 -17.507 3.944 3.963 240 H LEU 31 H LEU 31 -13.648 4.405 6.350 241 HA LEU 31 HA LEU 31 -12.297 3.987 3.870 242 HB2 LEU 31 HB2 LEU 31 -11.205 4.526 6.054 243 HB3 LEU 31 HB3 LEU 31 -11.600 2.907 6.597 244 HG LEU 31 HG LEU 31 -10.202 1.993 4.754 245 HD11 LEU 31 HD11 LEU 31 -9.455 4.885 4.356 246 HD12 LEU 31 HD12 LEU 31 -10.317 3.856 3.211 247 HD13 LEU 31 HD13 LEU 31 -8.638 3.503 3.622 248 HD21 LEU 31 HD21 LEU 31 -8.064 2.522 5.801 249 HD22 LEU 31 HD22 LEU 31 -9.314 2.245 7.013 250 HD23 LEU 31 HD23 LEU 31 -8.801 3.890 6.634 251 H GLY 32 H GLY 32 -13.536 1.725 6.343 252 HA2 GLY 32 HA2 GLY 32 -12.810 -0.622 4.973 253 HA3 GLY 32 HA3 GLY 32 -14.014 -0.515 6.245 254 H SER 33 H SER 33 -15.838 1.209 4.966 255 HA SER 33 HA SER 33 -17.354 -0.654 3.502 256 HB2 SER 33 HB2 SER 33 -17.676 2.357 3.544 257 HB3 SER 33 HB3 SER 33 -18.917 1.167 3.136 258 HG SER 33 HG SER 33 -18.294 2.125 5.530 259 H LEU 34 H LEU 34 -15.159 1.895 2.456 260 HA LEU 34 HA LEU 34 -15.881 1.726 -0.304 261 HB2 LEU 34 HB2 LEU 34 -13.466 2.893 1.076 262 HB3 LEU 34 HB3 LEU 34 -13.723 2.979 -0.657 263 HG LEU 34 HG LEU 34 -15.503 4.199 1.455 264 HD11 LEU 34 HD11 LEU 34 -14.720 6.327 0.546 265 HD12 LEU 34 HD12 LEU 34 -13.636 5.464 -0.547 266 HD13 LEU 34 HD13 LEU 34 -13.385 5.374 1.197 267 HD21 LEU 34 HD21 LEU 34 -16.707 5.201 -0.414 268 HD22 LEU 34 HD22 LEU 34 -16.775 3.440 -0.490 269 HD23 LEU 34 HD23 LEU 34 -15.682 4.328 -1.552 270 H PHE 35 H PHE 35 -13.382 0.267 1.725 271 HA PHE 35 HA PHE 35 -11.942 -1.036 -0.296 272 HB2 PHE 35 HB2 PHE 35 -12.391 -1.710 2.607 273 HB3 PHE 35 HB3 PHE 35 -11.435 -2.750 1.561 274 HD1 PHE 35 HD2 PHE 35 -10.060 -0.685 -0.084 275 HD2 PHE 35 HD1 PHE 35 -10.816 -0.897 4.097 276 HE1 PHE 35 HE2 PHE 35 -8.078 0.708 0.338 277 HE2 PHE 35 HE1 PHE 35 -8.832 0.490 4.528 278 HZ PHE 35 HZ PHE 35 -7.459 1.294 2.649 279 H GLU 36 H GLU 36 -14.757 -2.072 1.574 280 HA GLU 36 HA GLU 36 -15.036 -4.671 0.709 281 HB2 GLU 36 HB2 GLU 36 -16.401 -3.695 2.477 282 HB3 GLU 36 HB3 GLU 36 -17.206 -2.654 1.311 283 HG2 GLU 36 HG2 GLU 36 -18.650 -4.472 1.867 284 HG3 GLU 36 HG3 GLU 36 -18.114 -4.662 0.200 285 H ALA 37 H ALA 37 -16.170 -1.721 -0.889 286 HA ALA 37 HA ALA 37 -17.406 -3.178 -3.046 287 HB1 ALA 37 HB1 ALA 37 -17.831 -0.957 -4.003 288 HB2 ALA 37 HB2 ALA 37 -16.840 -0.230 -2.736 289 HB3 ALA 37 HB3 ALA 37 -18.341 -1.056 -2.317 290 H GLY 38 H GLY 38 -14.401 -1.453 -2.486 291 HA2 GLY 38 HA2 GLY 38 -13.545 -1.117 -5.112 292 HA3 GLY 38 HA3 GLY 38 -12.486 -1.230 -3.718 293 H TYR 39 H TYR 39 -12.605 -3.787 -2.900 294 HA TYR 39 HA TYR 39 -11.150 -5.051 -5.031 295 HB2 TYR 39 HB2 TYR 39 -10.502 -6.709 -3.474 296 HB3 TYR 39 HB3 TYR 39 -10.557 -5.208 -2.562 297 HD1 TYR 39 HD1 TYR 39 -12.295 -4.847 -0.876 298 HD2 TYR 39 HD2 TYR 39 -12.054 -8.503 -3.030 299 HE1 TYR 39 HE1 TYR 39 -13.776 -5.908 0.772 300 HE2 TYR 39 HE2 TYR 39 -13.539 -9.574 -1.391 301 HH TYR 39 HH TYR 39 -15.372 -7.835 0.827 302 H HIS 40 H HIS 40 -14.393 -5.074 -3.999 303 HA HIS 40 HA HIS 40 -15.060 -7.729 -4.786 304 HB2 HIS 40 HB2 HIS 40 -16.411 -6.336 -3.197 305 HB3 HIS 40 HB3 HIS 40 -16.914 -5.347 -4.561 306 HD1 HIS 40 HD1 HIS 40 -17.728 -8.415 -2.733 307 HD2 HIS 40 HD2 HIS 40 -18.563 -6.785 -6.470 308 HE1 HIS 40 HE1 HIS 40 -19.680 -9.724 -3.626 309 HE2 HIS 40 HE2 HIS 40 -19.992 -8.883 -5.986 310 H ASP 41 H ASP 41 -15.219 -4.565 -6.377 311 HA ASP 41 HA ASP 41 -16.395 -5.735 -8.757 312 HB2 ASP 41 HB2 ASP 41 -15.816 -2.960 -7.844 313 HB3 ASP 41 HB3 ASP 41 -15.918 -3.250 -9.578 314 H ILE 42 H ILE 42 -13.241 -5.031 -7.612 315 HA ILE 42 HA ILE 42 -12.121 -4.937 -10.292 316 HB ILE 42 HB ILE 42 -11.270 -3.546 -8.320 317 HG12 ILE 42 HG12 ILE 42 -9.240 -5.214 -9.818 318 HG13 ILE 42 HG13 ILE 42 -10.090 -3.828 -10.494 319 HG21 ILE 42 HG21 ILE 42 -11.180 -5.323 -6.659 320 HG22 ILE 42 HG22 ILE 42 -9.584 -4.606 -6.892 321 HG23 ILE 42 HG23 ILE 42 -9.964 -6.170 -7.614 322 HD11 ILE 42 HD11 ILE 42 -8.278 -3.734 -8.096 323 HD12 ILE 42 HD12 ILE 42 -9.054 -2.362 -8.889 324 HD13 ILE 42 HD13 ILE 42 -7.818 -3.290 -9.740 325 H LEU 43 H LEU 43 -13.017 -7.264 -8.058 326 HA LEU 43 HA LEU 43 -10.986 -9.187 -8.275 327 HB2 LEU 43 HB2 LEU 43 -12.756 -9.277 -6.582 328 HB3 LEU 43 HB3 LEU 43 -13.949 -9.574 -7.831 329 HG LEU 43 HG LEU 43 -12.820 -11.721 -8.354 330 HD11 LEU 43 HD11 LEU 43 -11.187 -12.622 -6.782 331 HD12 LEU 43 HD12 LEU 43 -11.174 -11.089 -5.911 332 HD13 LEU 43 HD13 LEU 43 -10.582 -11.165 -7.571 333 HD21 LEU 43 HD21 LEU 43 -13.592 -12.899 -6.345 334 HD22 LEU 43 HD22 LEU 43 -14.747 -11.677 -6.882 335 HD23 LEU 43 HD23 LEU 43 -13.703 -11.357 -5.495 336 H GLN 44 H GLN 44 -13.884 -8.614 -10.228 337 HA GLN 44 HA GLN 44 -13.534 -10.969 -11.810 338 HB2 GLN 44 HB2 GLN 44 -15.230 -8.529 -12.372 339 HB3 GLN 44 HB3 GLN 44 -15.332 -10.062 -13.221 340 HG2 GLN 44 HG2 GLN 44 -17.102 -10.110 -11.719 341 HG3 GLN 44 HG3 GLN 44 -15.857 -11.098 -10.955 342 HE21 GLN 44 HE21 GLN 44 -16.586 -10.802 -8.877 343 HE22 GLN 44 HE22 GLN 44 -16.486 -9.275 -8.056 344 H LEU 45 H LEU 45 -12.159 -7.855 -11.873 345 HA LEU 45 HA LEU 45 -11.577 -7.691 -14.653 346 HB2 LEU 45 HB2 LEU 45 -11.549 -5.739 -13.148 347 HB3 LEU 45 HB3 LEU 45 -10.172 -6.417 -12.303 348 HG LEU 45 HG LEU 45 -8.860 -6.259 -14.416 349 HD11 LEU 45 HD11 LEU 45 -10.693 -6.292 -16.007 350 HD12 LEU 45 HD12 LEU 45 -9.730 -4.829 -16.209 351 HD13 LEU 45 HD13 LEU 45 -11.285 -4.751 -15.383 352 HD21 LEU 45 HD21 LEU 45 -10.051 -3.693 -13.377 353 HD22 LEU 45 HD22 LEU 45 -8.554 -3.831 -14.302 354 HD23 LEU 45 HD23 LEU 45 -8.673 -4.554 -12.696 355 H LEU 46 H LEU 46 -10.032 -9.172 -11.889 356 HA LEU 46 HA LEU 46 -7.766 -9.982 -13.561 357 HB2 LEU 46 HB2 LEU 46 -8.222 -10.014 -10.587 358 HB3 LEU 46 HB3 LEU 46 -6.922 -10.931 -11.319 359 HG LEU 46 HG LEU 46 -6.004 -8.889 -10.496 360 HD11 LEU 46 HD11 LEU 46 -5.082 -7.900 -12.513 361 HD12 LEU 46 HD12 LEU 46 -6.342 -8.667 -13.480 362 HD13 LEU 46 HD13 LEU 46 -5.145 -9.657 -12.645 363 HD21 LEU 46 HD21 LEU 46 -8.088 -7.435 -12.118 364 HD22 LEU 46 HD22 LEU 46 -6.792 -6.692 -11.181 365 HD23 LEU 46 HD23 LEU 46 -8.070 -7.588 -10.361 366 H ALA 47 H ALA 47 -9.871 -11.523 -11.122 367 HA ALA 47 HA ALA 47 -9.145 -14.147 -11.914 368 HB1 ALA 47 HB1 ALA 47 -9.920 -13.599 -9.650 369 HB2 ALA 47 HB2 ALA 47 -10.866 -14.896 -10.376 370 HB3 ALA 47 HB3 ALA 47 -11.528 -13.265 -10.291 371 H GLY 48 H GLY 48 -11.835 -12.033 -12.745 372 HA2 GLY 48 HA2 GLY 48 -13.357 -14.042 -14.088 373 HA3 GLY 48 HA3 GLY 48 -13.593 -12.304 -14.211 374 H GLN 49 H GLN 49 -11.014 -11.631 -15.125 375 HA GLN 49 HA GLN 49 -11.324 -12.148 -17.908 376 HB2 GLN 49 HB2 GLN 49 -10.503 -10.002 -17.139 377 HB3 GLN 49 HB3 GLN 49 -9.128 -10.766 -16.355 378 HG2 GLN 49 HG2 GLN 49 -8.146 -11.327 -18.437 379 HG3 GLN 49 HG3 GLN 49 -9.606 -10.883 -19.320 380 HE21 GLN 49 HE21 GLN 49 -8.435 -8.950 -16.667 381 HE22 GLN 49 HE22 GLN 49 -7.893 -7.621 -17.630 382 H GLY 50 H GLY 50 -9.399 -13.526 -15.356 383 HA2 GLY 50 HA2 GLY 50 -8.639 -15.797 -15.599 384 HA3 GLY 50 HA3 GLY 50 -8.388 -15.485 -17.309 385 H LYS 51 H LYS 51 -7.391 -13.371 -14.682 386 HA LYS 51 HA LYS 51 -4.590 -14.146 -15.120 387 HB2 LYS 51 HB2 LYS 51 -5.641 -11.316 -15.075 388 HB3 LYS 51 HB3 LYS 51 -3.938 -11.756 -15.033 389 HG2 LYS 51 HG2 LYS 51 -4.391 -12.985 -17.227 390 HG3 LYS 51 HG3 LYS 51 -5.900 -12.068 -17.273 391 HD2 LYS 51 HD2 LYS 51 -4.243 -10.873 -18.527 392 HD3 LYS 51 HD3 LYS 51 -4.562 -9.982 -17.038 393 HE2 LYS 51 HE2 LYS 51 -2.205 -10.008 -17.363 394 HE3 LYS 51 HE3 LYS 51 -2.567 -11.106 -16.039 395 HZ1 LYS 51 HZ1 LYS 51 -0.921 -11.900 -17.768 396 HZ2 LYS 51 HZ2 LYS 51 -2.247 -12.069 -18.822 397 HZ3 LYS 51 HZ3 LYS 51 -2.187 -12.966 -17.383 398 H SER 52 H SER 52 -3.248 -12.745 -13.390 399 HA SER 52 HA SER 52 -4.704 -12.599 -10.864 400 HB2 SER 52 HB2 SER 52 -2.211 -14.278 -11.253 401 HB3 SER 52 HB3 SER 52 -3.012 -13.975 -9.712 402 HG SER 52 HG SER 52 -4.866 -14.852 -11.358 403 HA PRO 53 HA PRO 53 -2.003 -9.136 -10.156 404 HB2 PRO 53 HB2 PRO 53 -1.990 -9.760 -7.293 405 HB3 PRO 53 HB3 PRO 53 -2.693 -8.372 -8.128 406 HG2 PRO 53 HG2 PRO 53 -4.216 -10.288 -7.001 407 HG3 PRO 53 HG3 PRO 53 -4.707 -9.431 -8.474 408 HD2 PRO 53 HD2 PRO 53 -3.500 -12.159 -8.182 409 HD3 PRO 53 HD3 PRO 53 -4.828 -11.622 -9.234 410 H SER 54 H SER 54 0.110 -8.578 -9.424 411 HA SER 54 HA SER 54 1.898 -10.886 -9.269 412 HB2 SER 54 HB2 SER 54 2.315 -9.038 -10.926 413 HB3 SER 54 HB3 SER 54 2.596 -7.950 -9.568 414 HG SER 54 HG SER 54 4.228 -9.867 -10.671 415 H GLY 55 H GLY 55 0.442 -8.513 -7.327 416 HA2 GLY 55 HA2 GLY 55 1.948 -9.440 -5.019 417 HA3 GLY 55 HA3 GLY 55 2.028 -7.717 -5.364 418 HA PRO 56 HA PRO 56 -1.923 -9.024 -2.972 419 HB2 PRO 56 HB2 PRO 56 -1.140 -8.293 -0.461 420 HB3 PRO 56 HB3 PRO 56 -0.992 -9.938 -1.087 421 HG2 PRO 56 HG2 PRO 56 1.079 -7.794 -0.880 422 HG3 PRO 56 HG3 PRO 56 1.223 -9.528 -0.539 423 HD2 PRO 56 HD2 PRO 56 2.123 -8.422 -2.836 424 HD3 PRO 56 HD3 PRO 56 1.472 -10.073 -2.766 425 HA PRO 57 HA PRO 57 -3.283 -4.854 -3.202 426 HB2 PRO 57 HB2 PRO 57 -5.079 -5.420 -0.920 427 HB3 PRO 57 HB3 PRO 57 -5.476 -4.911 -2.564 428 HG2 PRO 57 HG2 PRO 57 -5.944 -7.407 -1.744 429 HG3 PRO 57 HG3 PRO 57 -5.385 -7.072 -3.395 430 HD2 PRO 57 HD2 PRO 57 -3.840 -8.079 -1.035 431 HD3 PRO 57 HD3 PRO 57 -3.746 -8.571 -2.739 432 H PHE 58 H PHE 58 -2.979 -2.878 -2.292 433 HA PHE 58 HA PHE 58 -1.818 -2.814 0.423 434 HB2 PHE 58 HB2 PHE 58 -1.383 -0.907 -1.896 435 HB3 PHE 58 HB3 PHE 58 -0.697 -0.717 -0.294 436 HD1 PHE 58 HD1 PHE 58 -0.719 -3.011 -3.222 437 HD2 PHE 58 HD2 PHE 58 1.387 -1.583 0.188 438 HE1 PHE 58 HE1 PHE 58 1.286 -4.238 -3.951 439 HE2 PHE 58 HE2 PHE 58 3.395 -2.812 -0.532 440 HZ PHE 58 HZ PHE 58 3.345 -4.142 -2.605 441 H ALA 59 H ALA 59 -2.100 -0.538 1.399 442 HA ALA 59 HA ALA 59 -4.313 0.965 0.199 443 HB1 ALA 59 HB1 ALA 59 -5.191 -0.049 2.242 444 HB2 ALA 59 HB2 ALA 59 -5.022 1.693 2.448 445 HB3 ALA 59 HB3 ALA 59 -3.837 0.602 3.166 446 H ARG 60 H ARG 60 -3.293 2.649 -0.675 447 HA ARG 60 HA ARG 60 -0.932 3.744 0.712 448 HB2 ARG 60 HB2 ARG 60 -1.684 3.965 -2.211 449 HB3 ARG 60 HB3 ARG 60 -0.187 4.522 -1.475 450 HG2 ARG 60 HG2 ARG 60 0.478 2.267 -0.989 451 HG3 ARG 60 HG3 ARG 60 -1.077 1.648 -1.546 452 HD2 ARG 60 HD2 ARG 60 0.574 1.292 -3.257 453 HD3 ARG 60 HD3 ARG 60 -0.566 2.519 -3.803 454 HE ARG 60 HE ARG 60 1.395 4.029 -2.763 455 HH11 ARG 60 HH11 ARG 60 1.482 1.292 -4.954 456 HH12 ARG 60 HH12 ARG 60 2.882 1.845 -5.804 457 HH21 ARG 60 HH21 ARG 60 3.267 4.756 -3.853 458 HH22 ARG 60 HH22 ARG 60 3.907 3.819 -5.174 459 H TYR 61 H TYR 61 -1.359 5.587 1.760 460 HA TYR 61 HA TYR 61 -3.520 7.255 0.690 461 HB2 TYR 61 HB2 TYR 61 -4.311 7.541 3.078 462 HB3 TYR 61 HB3 TYR 61 -4.616 5.978 2.336 463 HD1 TYR 61 HD1 TYR 61 -3.398 3.988 3.080 464 HD2 TYR 61 HD2 TYR 61 -2.796 7.759 4.952 465 HE1 TYR 61 HE1 TYR 61 -2.316 2.865 4.977 466 HE2 TYR 61 HE2 TYR 61 -1.707 6.645 6.857 467 HH TYR 61 HH TYR 61 -1.734 4.337 7.917 468 H PHE 62 H PHE 62 -3.523 9.347 1.093 469 HA PHE 62 HA PHE 62 -1.332 10.521 2.671 470 HB2 PHE 62 HB2 PHE 62 -1.088 11.098 0.288 471 HB3 PHE 62 HB3 PHE 62 -2.746 11.690 0.253 472 HD1 PHE 62 HD2 PHE 62 0.618 12.315 1.636 473 HD2 PHE 62 HD1 PHE 62 -3.291 13.869 0.988 474 HE1 PHE 62 HE2 PHE 62 1.398 14.551 2.302 475 HE2 PHE 62 HE1 PHE 62 -2.517 16.105 1.655 476 HZ PHE 62 HZ PHE 62 -0.172 16.450 2.313 477 H GLY 63 H GLY 63 -2.089 11.383 4.503 478 HA2 GLY 63 HA2 GLY 63 -4.603 12.836 4.505 479 HA3 GLY 63 HA3 GLY 63 -4.600 11.357 5.454 480 H MET 64 H MET 64 -1.942 13.640 5.034 481 HA MET 64 HA MET 64 -1.651 13.906 7.883 482 HB2 MET 64 HB2 MET 64 0.137 14.052 5.896 483 HB3 MET 64 HB3 MET 64 -0.259 15.761 6.007 484 HG2 MET 64 HG2 MET 64 0.643 14.095 8.345 485 HG3 MET 64 HG3 MET 64 1.734 15.036 7.332 486 HE1 MET 64 HE1 MET 64 1.290 15.186 10.574 487 HE2 MET 64 HE2 MET 64 1.465 16.925 10.815 488 HE3 MET 64 HE3 MET 64 2.554 16.073 9.719 489 H SER 65 H SER 65 -2.887 15.777 5.209 490 HA SER 65 HA SER 65 -3.659 18.005 6.881 491 HB2 SER 65 HB2 SER 65 -4.326 17.459 3.975 492 HB3 SER 65 HB3 SER 65 -4.454 19.004 4.818 493 HG SER 65 HG SER 65 -2.498 18.604 3.476 494 H ALA 66 H ALA 66 -5.551 18.137 7.908 495 HA ALA 66 HA ALA 66 -7.409 15.973 7.809 496 HB1 ALA 66 HB1 ALA 66 -6.910 17.145 9.890 497 HB2 ALA 66 HB2 ALA 66 -8.633 17.208 9.520 498 HB3 ALA 66 HB3 ALA 66 -7.616 18.621 9.233 499 H GLY 67 H GLY 67 -9.540 15.945 7.112 500 HA2 GLY 67 HA2 GLY 67 -11.412 17.448 6.292 501 HA3 GLY 67 HA3 GLY 67 -10.211 18.073 5.172 502 H THR 68 H THR 68 -9.278 16.572 3.619 503 HA THR 68 HA THR 68 -11.135 14.374 2.965 504 HB THR 68 HB THR 68 -9.364 15.835 0.999 505 HG1 THR 68 HG1 THR 68 -10.943 17.253 1.939 506 HG21 THR 68 HG21 THR 68 -11.795 14.079 0.625 507 HG22 THR 68 HG22 THR 68 -10.125 13.607 0.309 508 HG23 THR 68 HG23 THR 68 -10.883 14.868 -0.663 509 H PHE 69 H PHE 69 -10.267 12.362 2.598 510 HA PHE 69 HA PHE 69 -7.380 12.129 3.135 511 HB2 PHE 69 HB2 PHE 69 -9.240 11.249 4.765 512 HB3 PHE 69 HB3 PHE 69 -9.308 9.902 3.642 513 HD1 PHE 69 HD2 PHE 69 -7.175 8.595 3.223 514 HD2 PHE 69 HD1 PHE 69 -7.613 11.374 6.413 515 HE1 PHE 69 HE2 PHE 69 -5.283 7.543 4.394 516 HE2 PHE 69 HE1 PHE 69 -5.725 10.329 7.593 517 HZ PHE 69 HZ PHE 69 -4.555 8.409 6.584 518 H GLU 70 H GLU 70 -6.240 11.436 1.508 519 HA GLU 70 HA GLU 70 -7.570 10.309 -0.833 520 HB2 GLU 70 HB2 GLU 70 -4.945 11.606 -0.294 521 HB3 GLU 70 HB3 GLU 70 -5.001 10.435 -1.600 522 HG2 GLU 70 HG2 GLU 70 -5.317 12.667 -2.444 523 HG3 GLU 70 HG3 GLU 70 -6.777 11.710 -2.675 524 H VAL 71 H VAL 71 -7.616 8.171 -1.237 525 HA VAL 71 HA VAL 71 -5.458 6.515 -0.137 526 HB VAL 71 HB VAL 71 -7.018 4.743 0.496 527 HG11 VAL 71 HG11 VAL 71 -7.737 7.389 1.749 528 HG12 VAL 71 HG12 VAL 71 -6.360 6.376 2.183 529 HG13 VAL 71 HG13 VAL 71 -8.003 5.799 2.466 530 HG21 VAL 71 HG21 VAL 71 -9.207 6.685 -0.239 531 HG22 VAL 71 HG22 VAL 71 -9.440 5.154 0.605 532 HG23 VAL 71 HG23 VAL 71 -8.836 5.165 -1.052 533 H GLU 72 H GLU 72 -4.478 5.452 -1.701 534 HA GLU 72 HA GLU 72 -6.030 4.554 -4.027 535 HB2 GLU 72 HB2 GLU 72 -3.041 4.740 -3.594 536 HB3 GLU 72 HB3 GLU 72 -3.769 3.956 -4.986 537 HG2 GLU 72 HG2 GLU 72 -3.296 6.013 -5.838 538 HG3 GLU 72 HG3 GLU 72 -4.956 6.255 -5.299 539 H PHE 73 H PHE 73 -6.627 2.467 -4.135 540 HA PHE 73 HA PHE 73 -5.988 0.632 -2.077 541 HB2 PHE 73 HB2 PHE 73 -8.035 0.598 -3.563 542 HB3 PHE 73 HB3 PHE 73 -7.011 -0.023 -4.851 543 HD1 PHE 73 HD2 PHE 73 -8.077 -0.759 -1.370 544 HD2 PHE 73 HD1 PHE 73 -6.768 -2.307 -5.110 545 HE1 PHE 73 HE2 PHE 73 -8.513 -3.045 -0.572 546 HE2 PHE 73 HE1 PHE 73 -7.205 -4.596 -4.321 547 HZ PHE 73 HZ PHE 73 -8.081 -4.965 -2.047 548 H GLY 74 H GLY 74 -5.172 0.326 -5.547 549 HA2 GLY 74 HA2 GLY 74 -3.186 -0.082 -6.600 550 HA3 GLY 74 HA3 GLY 74 -2.392 0.419 -5.121 551 H PHE 75 H PHE 75 -2.552 -1.995 -7.270 552 HA PHE 75 HA PHE 75 -0.854 -3.532 -5.554 553 HB2 PHE 75 HB2 PHE 75 -1.994 -5.699 -5.827 554 HB3 PHE 75 HB3 PHE 75 -2.962 -4.562 -4.902 555 HD1 PHE 75 HD2 PHE 75 -2.657 -6.390 -8.054 556 HD2 PHE 75 HD1 PHE 75 -5.037 -3.716 -5.756 557 HE1 PHE 75 HE2 PHE 75 -4.558 -6.800 -9.556 558 HE2 PHE 75 HE1 PHE 75 -6.943 -4.127 -7.251 559 HZ PHE 75 HZ PHE 75 -6.708 -5.668 -9.153 560 HA PRO 76 HA PRO 76 1.191 -4.023 -9.403 561 HB2 PRO 76 HB2 PRO 76 2.400 -6.494 -8.369 562 HB3 PRO 76 HB3 PRO 76 3.168 -4.961 -8.786 563 HG2 PRO 76 HG2 PRO 76 2.915 -5.776 -6.236 564 HG3 PRO 76 HG3 PRO 76 2.823 -4.063 -6.692 565 HD2 PRO 76 HD2 PRO 76 0.606 -5.981 -6.063 566 HD3 PRO 76 HD3 PRO 76 0.796 -4.281 -5.579 567 H VAL 77 H VAL 77 1.009 -5.107 -11.322 568 HA VAL 77 HA VAL 77 -0.590 -7.580 -11.285 569 HB VAL 77 HB VAL 77 -1.622 -6.861 -13.431 570 HG11 VAL 77 HG11 VAL 77 -3.219 -5.302 -12.428 571 HG12 VAL 77 HG12 VAL 77 -2.107 -5.030 -11.086 572 HG13 VAL 77 HG13 VAL 77 -2.825 -6.623 -11.328 573 HG21 VAL 77 HG21 VAL 77 -0.364 -4.195 -12.780 574 HG22 VAL 77 HG22 VAL 77 -1.541 -4.491 -14.058 575 HG23 VAL 77 HG23 VAL 77 0.055 -5.238 -14.139 576 H GLU 78 H GLU 78 -0.352 -8.919 -13.198 577 HA GLU 78 HA GLU 78 2.352 -9.381 -13.852 578 HB2 GLU 78 HB2 GLU 78 0.547 -11.108 -13.765 579 HB3 GLU 78 HB3 GLU 78 -0.127 -10.430 -15.237 580 HG2 GLU 78 HG2 GLU 78 2.695 -11.420 -15.155 581 HG3 GLU 78 HG3 GLU 78 1.346 -12.530 -15.384 582 H GLY 79 H GLY 79 -0.336 -8.433 -16.001 583 HA2 GLY 79 HA2 GLY 79 0.686 -6.242 -17.214 584 HA3 GLY 79 HA3 GLY 79 1.500 -7.565 -18.042 585 H GLY 80 H GLY 80 -0.178 -5.785 -19.366 586 HA2 GLY 80 HA2 GLY 80 -1.785 -5.928 -21.017 587 HA3 GLY 80 HA3 GLY 80 -1.989 -7.624 -20.600 588 H VAL 81 H VAL 81 -2.292 -5.693 -17.883 589 HA VAL 81 HA VAL 81 -5.158 -6.165 -17.812 590 HB VAL 81 HB VAL 81 -3.498 -4.878 -15.644 591 HG11 VAL 81 HG11 VAL 81 -5.894 -4.703 -15.344 592 HG12 VAL 81 HG12 VAL 81 -5.218 -5.828 -14.164 593 HG13 VAL 81 HG13 VAL 81 -6.074 -6.443 -15.580 594 HG21 VAL 81 HG21 VAL 81 -3.196 -7.106 -14.670 595 HG22 VAL 81 HG22 VAL 81 -2.424 -6.983 -16.251 596 HG23 VAL 81 HG23 VAL 81 -3.965 -7.827 -16.085 597 H GLU 82 H GLU 82 -6.652 -4.428 -17.218 598 HA GLU 82 HA GLU 82 -5.751 -1.747 -17.960 599 HB2 GLU 82 HB2 GLU 82 -6.514 -2.973 -20.015 600 HB3 GLU 82 HB3 GLU 82 -8.099 -3.125 -19.271 601 HG2 GLU 82 HG2 GLU 82 -8.473 -0.797 -19.377 602 HG3 GLU 82 HG3 GLU 82 -6.788 -0.470 -19.780 603 H GLY 83 H GLY 83 -7.160 -0.077 -17.224 604 HA2 GLY 83 HA2 GLY 83 -8.533 -0.770 -14.801 605 HA3 GLY 83 HA3 GLY 83 -8.361 0.839 -15.480 606 H SER 84 H SER 84 -10.698 -0.618 -14.305 607 HA SER 84 HA SER 84 -12.465 -0.835 -16.634 608 HB2 SER 84 HB2 SER 84 -14.039 -1.885 -14.973 609 HB3 SER 84 HB3 SER 84 -12.523 -2.757 -15.196 610 HG SER 84 HG SER 84 -13.392 -2.236 -12.941 611 H GLY 85 H GLY 85 -11.518 1.612 -14.786 612 HA2 GLY 85 HA2 GLY 85 -12.802 3.702 -15.084 613 HA3 GLY 85 HA3 GLY 85 -14.233 2.784 -14.629 614 H ARG 86 H ARG 86 -13.743 1.518 -12.430 615 HA ARG 86 HA ARG 86 -13.287 3.441 -10.384 616 HB2 ARG 86 HB2 ARG 86 -13.339 0.416 -10.256 617 HB3 ARG 86 HB3 ARG 86 -13.321 1.473 -8.855 618 HG2 ARG 86 HG2 ARG 86 -15.494 1.421 -10.934 619 HG3 ARG 86 HG3 ARG 86 -15.555 0.584 -9.381 620 HD2 ARG 86 HD2 ARG 86 -15.227 2.805 -8.275 621 HD3 ARG 86 HD3 ARG 86 -15.417 3.558 -9.858 622 HE ARG 86 HE ARG 86 -17.549 1.804 -8.861 623 HH11 ARG 86 HH11 ARG 86 -16.420 5.025 -9.694 624 HH12 ARG 86 HH12 ARG 86 -18.008 5.733 -9.586 625 HH21 ARG 86 HH21 ARG 86 -19.633 2.753 -8.726 626 HH22 ARG 86 HH22 ARG 86 -19.819 4.450 -9.072 627 H VAL 87 H VAL 87 -11.387 0.986 -11.954 628 HA VAL 87 HA VAL 87 -9.003 1.820 -10.449 629 HB VAL 87 HB VAL 87 -9.596 -0.558 -10.168 630 HG11 VAL 87 HG11 VAL 87 -9.188 -0.770 -13.137 631 HG12 VAL 87 HG12 VAL 87 -10.723 -0.925 -12.281 632 HG13 VAL 87 HG13 VAL 87 -9.447 -2.116 -12.025 633 HG21 VAL 87 HG21 VAL 87 -7.426 -1.522 -10.743 634 HG22 VAL 87 HG22 VAL 87 -7.251 0.094 -10.057 635 HG23 VAL 87 HG23 VAL 87 -7.094 -0.147 -11.799 636 H VAL 88 H VAL 88 -7.122 2.295 -11.608 637 HA VAL 88 HA VAL 88 -7.277 2.114 -14.538 638 HB VAL 88 HB VAL 88 -5.941 4.215 -14.708 639 HG11 VAL 88 HG11 VAL 88 -8.630 4.518 -13.372 640 HG12 VAL 88 HG12 VAL 88 -8.349 4.243 -15.090 641 HG13 VAL 88 HG13 VAL 88 -7.815 5.747 -14.339 642 HG21 VAL 88 HG21 VAL 88 -5.920 5.761 -12.783 643 HG22 VAL 88 HG22 VAL 88 -4.994 4.290 -12.476 644 HG23 VAL 88 HG23 VAL 88 -6.600 4.486 -11.773 645 H THR 89 H THR 89 -5.395 1.418 -15.525 646 HA THR 89 HA THR 89 -3.344 0.408 -13.737 647 HB THR 89 HB THR 89 -4.125 -1.086 -15.473 648 HG1 THR 89 HG1 THR 89 -1.920 -1.208 -14.777 649 HG21 THR 89 HG21 THR 89 -2.994 0.893 -17.445 650 HG22 THR 89 HG22 THR 89 -4.704 0.536 -17.208 651 HG23 THR 89 HG23 THR 89 -3.624 -0.707 -17.840 652 H GLY 90 H GLY 90 -1.130 0.653 -14.223 653 HA2 GLY 90 HA2 GLY 90 0.195 2.311 -15.893 654 HA3 GLY 90 HA3 GLY 90 -0.453 3.435 -14.700 655 H LEU 91 H LEU 91 1.866 3.844 -14.272 656 HA LEU 91 HA LEU 91 3.053 1.746 -12.600 657 HB2 LEU 91 HB2 LEU 91 4.212 4.221 -13.866 658 HB3 LEU 91 HB3 LEU 91 5.049 3.362 -12.590 659 HG LEU 91 HG LEU 91 4.952 1.306 -14.076 660 HD11 LEU 91 HD11 LEU 91 4.237 3.360 -16.162 661 HD12 LEU 91 HD12 LEU 91 3.192 2.061 -15.589 662 HD13 LEU 91 HD13 LEU 91 4.675 1.679 -16.466 663 HD21 LEU 91 HD21 LEU 91 6.499 3.712 -15.023 664 HD22 LEU 91 HD22 LEU 91 6.871 2.031 -15.411 665 HD23 LEU 91 HD23 LEU 91 6.983 2.599 -13.744 666 H THR 92 H THR 92 3.330 2.017 -10.449 667 HA THR 92 HA THR 92 2.183 4.450 -9.280 668 HB THR 92 HB THR 92 2.042 3.126 -7.171 669 HG1 THR 92 HG1 THR 92 3.758 1.595 -8.065 670 HG21 THR 92 HG21 THR 92 0.196 1.675 -7.891 671 HG22 THR 92 HG22 THR 92 0.694 1.884 -9.570 672 HG23 THR 92 HG23 THR 92 0.108 3.267 -8.646 673 HA PRO 93 HA PRO 93 6.661 5.032 -8.476 674 HB2 PRO 93 HB2 PRO 93 6.691 7.707 -8.745 675 HB3 PRO 93 HB3 PRO 93 6.732 6.622 -10.141 676 HG2 PRO 93 HG2 PRO 93 4.443 8.160 -8.997 677 HG3 PRO 93 HG3 PRO 93 4.862 7.874 -10.694 678 HD2 PRO 93 HD2 PRO 93 2.936 6.478 -9.313 679 HD3 PRO 93 HD3 PRO 93 3.792 5.852 -10.733 680 H SER 94 H SER 94 7.727 6.624 -6.892 681 HA SER 94 HA SER 94 6.192 7.810 -4.841 682 HB2 SER 94 HB2 SER 94 5.801 5.324 -4.430 683 HB3 SER 94 HB3 SER 94 7.518 5.210 -4.041 684 HG SER 94 HG SER 94 5.419 6.262 -2.586 685 H GLY 95 H GLY 95 7.904 7.742 -2.736 686 HA2 GLY 95 HA2 GLY 95 10.525 8.457 -3.875 687 HA3 GLY 95 HA3 GLY 95 9.673 9.604 -2.851 688 H LYS 96 H LYS 96 10.552 9.675 -0.913 689 HA LYS 96 HA LYS 96 11.739 7.244 0.218 690 HB2 LYS 96 HB2 LYS 96 12.098 10.169 0.783 691 HB3 LYS 96 HB3 LYS 96 12.526 8.981 2.002 692 HG2 LYS 96 HG2 LYS 96 14.483 9.621 0.771 693 HG3 LYS 96 HG3 LYS 96 14.087 7.942 0.407 694 HD2 LYS 96 HD2 LYS 96 13.348 8.452 -1.737 695 HD3 LYS 96 HD3 LYS 96 13.107 10.155 -1.353 696 HE2 LYS 96 HE2 LYS 96 15.543 10.441 -1.172 697 HE3 LYS 96 HE3 LYS 96 15.764 8.741 -1.577 698 HZ1 LYS 96 HZ1 LYS 96 14.396 10.671 -3.365 699 HZ2 LYS 96 HZ2 LYS 96 14.927 9.104 -3.744 700 HZ3 LYS 96 HZ3 LYS 96 16.055 10.335 -3.449 701 H ALA 97 H ALA 97 10.562 6.107 1.551 702 HA ALA 97 HA ALA 97 8.725 7.509 3.370 703 HB1 ALA 97 HB1 ALA 97 7.048 5.762 3.064 704 HB2 ALA 97 HB2 ALA 97 8.075 4.978 1.865 705 HB3 ALA 97 HB3 ALA 97 7.402 6.575 1.538 706 H ALA 98 H ALA 98 8.571 6.679 5.411 707 HA ALA 98 HA ALA 98 10.572 4.683 6.134 708 HB1 ALA 98 HB1 ALA 98 8.873 6.438 7.908 709 HB2 ALA 98 HB2 ALA 98 10.526 6.787 7.402 710 HB3 ALA 98 HB3 ALA 98 10.194 5.394 8.433 711 H SER 99 H SER 99 10.046 2.657 6.640 712 HA SER 99 HA SER 99 7.239 2.020 7.187 713 HB2 SER 99 HB2 SER 99 7.468 0.078 5.564 714 HB3 SER 99 HB3 SER 99 7.376 1.681 4.834 715 HG SER 99 HG SER 99 9.932 0.911 5.424 716 H SER 100 H SER 100 6.878 0.161 8.354 717 HA SER 100 HA SER 100 9.237 -1.361 9.238 718 HB2 SER 100 HB2 SER 100 8.504 0.166 11.037 719 HB3 SER 100 HB3 SER 100 6.879 -0.516 10.948 720 HG SER 100 HG SER 100 9.003 -1.409 12.313 721 H LEU 101 H LEU 101 8.663 -3.583 9.967 722 HA LEU 101 HA LEU 101 6.411 -4.583 8.365 723 HB2 LEU 101 HB2 LEU 101 8.822 -6.120 9.322 724 HB3 LEU 101 HB3 LEU 101 7.579 -6.694 8.231 725 HG LEU 101 HG LEU 101 9.528 -4.471 7.621 726 HD11 LEU 101 HD11 LEU 101 10.642 -6.627 7.737 727 HD12 LEU 101 HD12 LEU 101 10.528 -6.079 6.065 728 HD13 LEU 101 HD13 LEU 101 9.434 -7.328 6.660 729 HD21 LEU 101 HD21 LEU 101 8.664 -4.681 5.328 730 HD22 LEU 101 HD22 LEU 101 7.416 -4.169 6.466 731 HD23 LEU 101 HD23 LEU 101 7.462 -5.839 5.901 732 H TYR 102 H TYR 102 4.708 -4.766 9.652 733 HA TYR 102 HA TYR 102 4.951 -5.812 12.364 734 HB2 TYR 102 HB2 TYR 102 3.372 -3.902 11.562 735 HB3 TYR 102 HB3 TYR 102 2.371 -5.197 10.920 736 HD1 TYR 102 HD1 TYR 102 3.693 -3.657 13.982 737 HD2 TYR 102 HD2 TYR 102 1.044 -6.579 12.389 738 HE1 TYR 102 HE1 TYR 102 2.632 -3.885 16.186 739 HE2 TYR 102 HE2 TYR 102 -0.026 -6.816 14.595 740 HH TYR 102 HH TYR 102 0.631 -4.624 17.192 741 H ILE 103 H ILE 103 4.844 -7.965 12.737 742 HA ILE 103 HA ILE 103 3.881 -9.664 10.535 743 HB ILE 103 HB ILE 103 5.531 -10.689 12.827 744 HG12 ILE 103 HG12 ILE 103 6.805 -8.802 11.929 745 HG13 ILE 103 HG13 ILE 103 7.568 -10.326 11.494 746 HG21 ILE 103 HG21 ILE 103 4.504 -12.345 11.407 747 HG22 ILE 103 HG22 ILE 103 6.245 -12.335 11.122 748 HG23 ILE 103 HG23 ILE 103 5.157 -11.565 9.966 749 HD11 ILE 103 HD11 ILE 103 6.639 -10.161 9.255 750 HD12 ILE 103 HD12 ILE 103 7.616 -8.749 9.656 751 HD13 ILE 103 HD13 ILE 103 5.856 -8.641 9.688 752 H GLY 104 H GLY 104 2.006 -10.701 10.817 753 HA2 GLY 104 HA2 GLY 104 1.028 -12.502 12.246 754 HA3 GLY 104 HA3 GLY 104 1.228 -11.379 13.583 755 HA PRO 105 HA PRO 105 -3.038 -10.657 12.071 756 HB2 PRO 105 HB2 PRO 105 -4.232 -10.649 14.483 757 HB3 PRO 105 HB3 PRO 105 -3.861 -12.153 13.632 758 HG2 PRO 105 HG2 PRO 105 -2.407 -10.845 15.890 759 HG3 PRO 105 HG3 PRO 105 -2.737 -12.565 15.614 760 HD2 PRO 105 HD2 PRO 105 -0.339 -11.326 15.060 761 HD3 PRO 105 HD3 PRO 105 -0.900 -12.818 14.281 762 H TYR 106 H TYR 106 -4.524 -8.829 12.703 763 HA TYR 106 HA TYR 106 -2.867 -6.512 13.340 764 HB2 TYR 106 HB2 TYR 106 -5.632 -6.684 12.116 765 HB3 TYR 106 HB3 TYR 106 -4.736 -5.191 12.382 766 HD1 TYR 106 HD2 TYR 106 -2.636 -4.775 11.103 767 HD2 TYR 106 HD1 TYR 106 -5.178 -8.075 10.241 768 HE1 TYR 106 HE2 TYR 106 -1.548 -5.036 8.916 769 HE2 TYR 106 HE1 TYR 106 -4.093 -8.347 8.051 770 HH TYR 106 HH TYR 106 -1.182 -6.836 7.246 771 H GLY 107 H GLY 107 -3.138 -5.324 15.114 772 HA2 GLY 107 HA2 GLY 107 -5.560 -5.295 16.639 773 HA3 GLY 107 HA3 GLY 107 -4.310 -6.274 17.396 774 H GLU 108 H GLU 108 -2.383 -5.272 18.120 775 HA GLU 108 HA GLU 108 -2.777 -2.479 18.790 776 HB2 GLU 108 HB2 GLU 108 -0.701 -2.780 20.165 777 HB3 GLU 108 HB3 GLU 108 -2.036 -3.831 20.610 778 HG2 GLU 108 HG2 GLU 108 -0.992 -5.690 19.467 779 HG3 GLU 108 HG3 GLU 108 0.314 -4.642 18.914 780 H ILE 109 H ILE 109 -2.609 -2.156 16.346 781 HA ILE 109 HA ILE 109 0.035 -2.094 15.226 782 HB ILE 109 HB ILE 109 -2.045 -2.338 13.856 783 HG12 ILE 109 HG12 ILE 109 -0.347 0.062 13.130 784 HG13 ILE 109 HG13 ILE 109 0.106 -1.617 12.858 785 HG21 ILE 109 HG21 ILE 109 -3.469 -0.762 15.008 786 HG22 ILE 109 HG22 ILE 109 -3.335 -0.315 13.307 787 HG23 ILE 109 HG23 ILE 109 -2.425 0.576 14.527 788 HD11 ILE 109 HD11 ILE 109 -2.251 -0.212 11.626 789 HD12 ILE 109 HD12 ILE 109 -1.781 -1.889 11.344 790 HD13 ILE 109 HD13 ILE 109 -0.723 -0.576 10.824 791 H GLU 110 H GLU 110 -1.704 -0.166 17.355 792 HA GLU 110 HA GLU 110 -0.814 2.426 16.824 793 HB2 GLU 110 HB2 GLU 110 -1.379 1.143 19.505 794 HB3 GLU 110 HB3 GLU 110 -1.349 2.870 19.169 795 HG2 GLU 110 HG2 GLU 110 -3.290 2.752 17.850 796 HG3 GLU 110 HG3 GLU 110 -3.222 0.992 17.771 797 H ALA 111 H ALA 111 0.733 -0.278 18.400 798 HA ALA 111 HA ALA 111 2.809 1.040 19.725 799 HB1 ALA 111 HB1 ALA 111 2.813 -1.722 18.515 800 HB2 ALA 111 HB2 ALA 111 2.247 -1.299 20.131 801 HB3 ALA 111 HB3 ALA 111 3.953 -1.119 19.717 802 H VAL 112 H VAL 112 2.725 -0.367 16.452 803 HA VAL 112 HA VAL 112 5.413 0.442 15.898 804 HB VAL 112 HB VAL 112 4.355 -1.537 14.822 805 HG11 VAL 112 HG11 VAL 112 2.855 0.493 13.179 806 HG12 VAL 112 HG12 VAL 112 2.145 -0.587 14.380 807 HG13 VAL 112 HG13 VAL 112 2.878 -1.251 12.919 808 HG21 VAL 112 HG21 VAL 112 5.417 0.571 12.948 809 HG22 VAL 112 HG22 VAL 112 5.322 -1.155 12.595 810 HG23 VAL 112 HG23 VAL 112 6.371 -0.576 13.891 811 H TYR 113 H TYR 113 2.252 1.837 15.445 812 HA TYR 113 HA TYR 113 2.895 3.842 13.585 813 HB2 TYR 113 HB2 TYR 113 0.706 3.259 15.420 814 HB3 TYR 113 HB3 TYR 113 0.992 4.985 15.249 815 HD1 TYR 113 HD1 TYR 113 0.096 1.897 13.434 816 HD2 TYR 113 HD2 TYR 113 0.455 6.129 13.232 817 HE1 TYR 113 HE1 TYR 113 -1.156 1.895 11.316 818 HE2 TYR 113 HE2 TYR 113 -0.798 6.145 11.116 819 HH TYR 113 HH TYR 113 -2.463 3.365 9.945 820 H ASP 114 H ASP 114 2.846 3.947 17.148 821 HA ASP 114 HA ASP 114 3.746 6.627 17.332 822 HB2 ASP 114 HB2 ASP 114 2.579 5.386 19.158 823 HB3 ASP 114 HB3 ASP 114 4.040 4.436 19.400 824 H ALA 115 H ALA 115 5.415 3.530 17.278 825 HA ALA 115 HA ALA 115 7.987 4.538 17.903 826 HB1 ALA 115 HB1 ALA 115 8.816 2.387 17.186 827 HB2 ALA 115 HB2 ALA 115 7.289 2.035 16.376 828 HB3 ALA 115 HB3 ALA 115 7.346 2.167 18.134 829 H LEU 116 H LEU 116 6.230 4.093 14.890 830 HA LEU 116 HA LEU 116 8.403 4.589 13.144 831 HB2 LEU 116 HB2 LEU 116 5.910 3.680 12.787 832 HB3 LEU 116 HB3 LEU 116 5.637 5.355 12.351 833 HG LEU 116 HG LEU 116 7.739 3.621 11.055 834 HD11 LEU 116 HD11 LEU 116 4.950 4.242 10.098 835 HD12 LEU 116 HD12 LEU 116 5.533 2.674 10.656 836 HD13 LEU 116 HD13 LEU 116 6.194 3.387 9.185 837 HD21 LEU 116 HD21 LEU 116 7.694 5.325 9.303 838 HD22 LEU 116 HD22 LEU 116 8.145 6.018 10.861 839 HD23 LEU 116 HD23 LEU 116 6.514 6.252 10.231 840 H MET 117 H MET 117 6.034 6.661 14.742 841 HA MET 117 HA MET 117 6.670 9.055 13.425 842 HB2 MET 117 HB2 MET 117 4.622 8.775 14.724 843 HB3 MET 117 HB3 MET 117 5.556 8.551 16.194 844 HG2 MET 117 HG2 MET 117 5.760 11.072 14.602 845 HG3 MET 117 HG3 MET 117 4.460 10.820 15.765 846 HE1 MET 117 HE1 MET 117 6.887 13.033 15.571 847 HE2 MET 117 HE2 MET 117 7.220 13.291 17.283 848 HE3 MET 117 HE3 MET 117 5.551 13.196 16.716 849 H LYS 118 H LYS 118 8.039 7.403 16.204 850 HA LYS 118 HA LYS 118 9.658 9.443 17.218 851 HB2 LYS 118 HB2 LYS 118 9.230 7.255 18.338 852 HB3 LYS 118 HB3 LYS 118 10.283 6.482 17.161 853 HG2 LYS 118 HG2 LYS 118 12.107 8.037 17.951 854 HG3 LYS 118 HG3 LYS 118 11.031 8.478 19.278 855 HD2 LYS 118 HD2 LYS 118 10.925 6.093 19.930 856 HD3 LYS 118 HD3 LYS 118 12.081 5.720 18.648 857 HE2 LYS 118 HE2 LYS 118 12.549 7.512 21.031 858 HE3 LYS 118 HE3 LYS 118 13.222 5.903 20.785 859 HZ1 LYS 118 HZ1 LYS 118 14.403 6.776 18.826 860 HZ2 LYS 118 HZ2 LYS 118 14.852 7.566 20.252 861 HZ3 LYS 118 HZ3 LYS 118 13.802 8.327 19.159 862 H TRP 119 H TRP 119 10.056 7.351 14.453 863 HA TRP 119 HA TRP 119 12.831 7.750 14.057 864 HB2 TRP 119 HB2 TRP 119 11.290 5.959 13.014 865 HB3 TRP 119 HB3 TRP 119 10.870 7.200 11.837 866 HD1 TRP 119 HD1 TRP 119 13.646 4.825 12.823 867 HE1 TRP 119 HE1 TRP 119 15.482 4.864 11.026 868 HE3 TRP 119 HE3 TRP 119 11.972 8.767 10.035 869 HZ2 TRP 119 HZ2 TRP 119 16.139 6.358 8.737 870 HZ3 TRP 119 HZ3 TRP 119 13.268 9.437 8.054 871 HH2 TRP 119 HH2 TRP 119 15.310 8.255 7.418 872 H VAL 120 H VAL 120 9.942 9.437 12.915 873 HA VAL 120 HA VAL 120 11.164 11.258 11.172 874 HB VAL 120 HB VAL 120 8.674 11.478 12.859 875 HG11 VAL 120 HG11 VAL 120 8.116 13.515 11.585 876 HG12 VAL 120 HG12 VAL 120 9.741 13.506 10.898 877 HG13 VAL 120 HG13 VAL 120 9.516 13.733 12.633 878 HG21 VAL 120 HG21 VAL 120 9.105 11.244 9.882 879 HG22 VAL 120 HG22 VAL 120 7.544 11.330 10.697 880 HG23 VAL 120 HG23 VAL 120 8.599 9.941 10.958 881 H ASP 121 H ASP 121 10.539 11.458 14.644 882 HA ASP 121 HA ASP 121 11.596 14.068 14.992 883 HB2 ASP 121 HB2 ASP 121 10.029 13.002 16.577 884 HB3 ASP 121 HB3 ASP 121 11.272 11.834 17.013 885 H ASP 122 H ASP 122 12.989 10.897 14.927 886 HA ASP 122 HA ASP 122 15.463 11.577 16.199 887 HB2 ASP 122 HB2 ASP 122 14.648 9.298 16.286 888 HB3 ASP 122 HB3 ASP 122 14.645 9.194 14.528 889 H ASN 123 H ASN 123 14.498 10.984 12.823 890 HA ASN 123 HA ASN 123 17.213 11.613 11.955 891 HB2 ASN 123 HB2 ASN 123 15.262 9.811 11.079 892 HB3 ASN 123 HB3 ASN 123 15.380 11.023 9.806 893 HD21 ASN 123 HD21 ASN 123 17.058 8.556 11.580 894 HD22 ASN 123 HD22 ASN 123 18.390 8.388 10.481 895 H GLY 124 H GLY 124 14.171 13.154 12.168 896 HA2 GLY 124 HA2 GLY 124 13.589 15.326 11.680 897 HA3 GLY 124 HA3 GLY 124 15.255 15.602 11.196 898 H PHE 125 H PHE 125 12.506 13.677 9.989 899 HA PHE 125 HA PHE 125 12.996 14.852 7.345 900 HB2 PHE 125 HB2 PHE 125 12.471 12.039 8.150 901 HB3 PHE 125 HB3 PHE 125 11.845 12.598 6.617 902 HD1 PHE 125 HD1 PHE 125 13.324 13.183 4.799 903 HD2 PHE 125 HD2 PHE 125 14.844 11.790 8.518 904 HE1 PHE 125 HE1 PHE 125 15.513 12.782 3.748 905 HE2 PHE 125 HE2 PHE 125 17.035 11.388 7.477 906 HZ PHE 125 HZ PHE 125 17.371 11.883 5.088 907 H ASP 126 H ASP 126 11.207 15.101 5.999 908 HA ASP 126 HA ASP 126 8.587 15.072 7.348 909 HB2 ASP 126 HB2 ASP 126 7.947 17.090 6.193 910 HB3 ASP 126 HB3 ASP 126 9.471 17.398 7.016 911 H LEU 127 H LEU 127 6.781 15.085 5.646 912 HA LEU 127 HA LEU 127 6.712 12.712 4.339 913 HB2 LEU 127 HB2 LEU 127 5.339 15.108 3.146 914 HB3 LEU 127 HB3 LEU 127 4.820 13.439 3.111 915 HG LEU 127 HG LEU 127 4.640 13.726 5.707 916 HD11 LEU 127 HD11 LEU 127 4.429 16.578 4.748 917 HD12 LEU 127 HD12 LEU 127 5.650 15.927 5.841 918 HD13 LEU 127 HD13 LEU 127 3.962 15.998 6.347 919 HD21 LEU 127 HD21 LEU 127 2.781 13.243 4.218 920 HD22 LEU 127 HD22 LEU 127 2.672 14.948 3.778 921 HD23 LEU 127 HD23 LEU 127 2.315 14.439 5.429 922 H SER 128 H SER 128 8.005 11.890 2.850 923 HA SER 128 HA SER 128 8.671 13.532 0.501 924 HB2 SER 128 HB2 SER 128 10.461 11.462 1.805 925 HB3 SER 128 HB3 SER 128 10.861 12.462 0.408 926 HG SER 128 HG SER 128 10.198 13.503 2.973 927 H GLY 129 H GLY 129 6.535 11.574 1.170 928 HA2 GLY 129 HA2 GLY 129 6.523 10.081 -1.234 929 HA3 GLY 129 HA3 GLY 129 6.940 9.043 0.123 930 H GLU 130 H GLU 130 5.287 8.048 1.036 931 HA GLU 130 HA GLU 130 2.701 9.331 1.307 932 HB2 GLU 130 HB2 GLU 130 1.525 7.503 0.118 933 HB3 GLU 130 HB3 GLU 130 2.560 8.441 -0.950 934 HG2 GLU 130 HG2 GLU 130 4.315 6.648 -0.598 935 HG3 GLU 130 HG3 GLU 130 3.040 5.689 0.150 936 H ALA 131 H ALA 131 1.134 7.770 2.463 937 HA ALA 131 HA ALA 131 2.702 6.016 4.262 938 HB1 ALA 131 HB1 ALA 131 1.604 7.887 5.410 939 HB2 ALA 131 HB2 ALA 131 0.926 6.337 5.907 940 HB3 ALA 131 HB3 ALA 131 0.045 7.363 4.774 941 H TYR 132 H TYR 132 2.202 3.840 4.200 942 HA TYR 132 HA TYR 132 -0.342 3.086 3.026 943 HB2 TYR 132 HB2 TYR 132 0.599 1.604 1.353 944 HB3 TYR 132 HB3 TYR 132 1.131 3.254 1.082 945 HD1 TYR 132 HD1 TYR 132 2.193 -0.088 2.243 946 HD2 TYR 132 HD2 TYR 132 3.450 3.819 1.118 947 HE1 TYR 132 HE1 TYR 132 4.515 -0.878 2.128 948 HE2 TYR 132 HE2 TYR 132 5.780 3.040 1.007 949 HH TYR 132 HH TYR 132 7.171 1.237 1.913 950 H GLU 133 H GLU 133 -1.162 1.216 3.668 951 HA GLU 133 HA GLU 133 0.539 -0.596 5.241 952 HB2 GLU 133 HB2 GLU 133 -1.629 -1.256 6.413 953 HB3 GLU 133 HB3 GLU 133 -0.981 0.326 6.817 954 HG2 GLU 133 HG2 GLU 133 -2.586 1.342 5.233 955 HG3 GLU 133 HG3 GLU 133 -3.269 -0.257 4.946 956 H ILE 134 H ILE 134 0.778 -2.531 4.305 957 HA ILE 134 HA ILE 134 -0.927 -3.173 2.021 958 HB ILE 134 HB ILE 134 1.422 -3.257 1.536 959 HG12 ILE 134 HG12 ILE 134 0.262 -6.043 1.773 960 HG13 ILE 134 HG13 ILE 134 0.064 -4.942 0.414 961 HG21 ILE 134 HG21 ILE 134 2.265 -3.579 3.796 962 HG22 ILE 134 HG22 ILE 134 2.964 -4.760 2.689 963 HG23 ILE 134 HG23 ILE 134 1.672 -5.241 3.789 964 HD11 ILE 134 HD11 ILE 134 2.658 -6.175 1.317 965 HD12 ILE 134 HD12 ILE 134 2.449 -5.090 -0.058 966 HD13 ILE 134 HD13 ILE 134 1.690 -6.682 -0.067 967 H TYR 135 H TYR 135 -2.229 -4.922 1.906 968 HA TYR 135 HA TYR 135 -2.336 -6.635 4.294 969 HB2 TYR 135 HB2 TYR 135 -4.541 -5.663 2.479 970 HB3 TYR 135 HB3 TYR 135 -4.756 -7.039 3.558 971 HD1 TYR 135 HD1 TYR 135 -3.539 -3.505 3.676 972 HD2 TYR 135 HD2 TYR 135 -5.636 -6.632 5.657 973 HE1 TYR 135 HE1 TYR 135 -4.055 -1.977 5.528 974 HE2 TYR 135 HE2 TYR 135 -6.156 -5.110 7.515 975 HH TYR 135 HH TYR 135 -5.333 -1.677 7.372 976 H LEU 136 H LEU 136 -1.005 -8.217 3.667 977 HA LEU 136 HA LEU 136 -1.188 -9.373 1.031 978 HB2 LEU 136 HB2 LEU 136 0.585 -10.986 2.142 979 HB3 LEU 136 HB3 LEU 136 1.015 -9.403 1.545 980 HG LEU 136 HG LEU 136 2.038 -10.060 3.741 981 HD11 LEU 136 HD11 LEU 136 1.982 -7.745 3.051 982 HD12 LEU 136 HD12 LEU 136 1.724 -7.873 4.791 983 HD13 LEU 136 HD13 LEU 136 0.359 -7.561 3.719 984 HD21 LEU 136 HD21 LEU 136 0.168 -11.178 4.783 985 HD22 LEU 136 HD22 LEU 136 -0.771 -9.687 4.762 986 HD23 LEU 136 HD23 LEU 136 0.670 -9.805 5.769 987 H ASP 137 H ASP 137 -3.540 -9.783 1.875 988 HA ASP 137 HA ASP 137 -5.172 -11.341 2.136 989 HB2 ASP 137 HB2 ASP 137 -3.474 -12.898 0.984 990 HB3 ASP 137 HB3 ASP 137 -3.081 -13.471 2.598 991 H ASN 138 H ASN 138 -6.134 -12.699 3.897 992 HA ASN 138 HA ASN 138 -5.562 -11.353 6.370 993 HB2 ASN 138 HB2 ASN 138 -7.629 -13.361 5.519 994 HB3 ASN 138 HB3 ASN 138 -7.439 -12.924 7.214 995 HD21 ASN 138 HD21 ASN 138 -8.368 -11.802 4.045 996 HD22 ASN 138 HD22 ASN 138 -9.149 -10.358 4.582 997 HA PRO 139 HA PRO 139 -2.780 -14.250 8.058 998 HB2 PRO 139 HB2 PRO 139 -3.567 -13.443 10.743 999 HB3 PRO 139 HB3 PRO 139 -2.080 -13.087 9.865 1000 HG2 PRO 139 HG2 PRO 139 -3.938 -11.200 10.442 1001 HG3 PRO 139 HG3 PRO 139 -2.901 -11.126 9.007 1002 HD2 PRO 139 HD2 PRO 139 -5.753 -12.013 9.239 1003 HD3 PRO 139 HD3 PRO 139 -4.980 -11.023 7.982 1004 H ALA 140 H ALA 140 -2.682 -15.634 10.222 1005 HA ALA 140 HA ALA 140 -3.412 -17.252 11.623 1006 HB1 ALA 140 HB1 ALA 140 -5.434 -15.910 12.008 1007 HB2 ALA 140 HB2 ALA 140 -5.754 -17.644 12.040 1008 HB3 ALA 140 HB3 ALA 140 -6.197 -16.692 10.623 1009 H GLU 141 H GLU 141 -4.844 -17.299 8.394 1010 HA GLU 141 HA GLU 141 -4.543 -20.233 8.425 1011 HB2 GLU 141 HB2 GLU 141 -6.342 -20.299 6.733 1012 HB3 GLU 141 HB3 GLU 141 -6.850 -19.617 8.266 1013 HG2 GLU 141 HG2 GLU 141 -7.841 -18.154 6.849 1014 HG3 GLU 141 HG3 GLU 141 -6.294 -17.344 7.077 1015 H THR 142 H THR 142 -3.288 -17.474 7.151 1016 HA THR 142 HA THR 142 -2.731 -18.261 4.490 1017 HB THR 142 HB THR 142 -0.756 -16.438 5.370 1018 HG1 THR 142 HG1 THR 142 -3.194 -15.323 6.126 1019 HG21 THR 142 HG21 THR 142 -1.844 -16.411 3.182 1020 HG22 THR 142 HG22 THR 142 -2.026 -14.851 3.986 1021 HG23 THR 142 HG23 THR 142 -3.378 -15.982 3.938 1022 H ALA 143 H ALA 143 -0.133 -17.468 6.721 1023 HA ALA 143 HA ALA 143 1.071 -19.972 7.007 1024 HB1 ALA 143 HB1 ALA 143 2.228 -18.378 4.715 1025 HB2 ALA 143 HB2 ALA 143 1.339 -19.894 4.561 1026 HB3 ALA 143 HB3 ALA 143 2.895 -19.865 5.391 1027 HA PRO 144 HA PRO 144 3.539 -17.519 9.703 1028 HB2 PRO 144 HB2 PRO 144 5.858 -18.915 9.852 1029 HB3 PRO 144 HB3 PRO 144 4.360 -19.450 10.622 1030 HG2 PRO 144 HG2 PRO 144 5.583 -20.328 8.037 1031 HG3 PRO 144 HG3 PRO 144 4.810 -21.299 9.301 1032 HD2 PRO 144 HD2 PRO 144 3.545 -20.593 7.012 1033 HD3 PRO 144 HD3 PRO 144 2.690 -20.822 8.550 1034 H ASP 145 H ASP 145 4.622 -15.745 9.497 1035 HA ASP 145 HA ASP 145 6.181 -14.193 9.009 1036 HB2 ASP 145 HB2 ASP 145 7.700 -16.193 9.391 1037 HB3 ASP 145 HB3 ASP 145 7.806 -16.321 7.639 1038 H GLN 146 H GLN 146 4.279 -15.464 6.710 1039 HA GLN 146 HA GLN 146 5.398 -13.684 4.658 1040 HB2 GLN 146 HB2 GLN 146 3.845 -14.610 3.100 1041 HB3 GLN 146 HB3 GLN 146 4.560 -15.955 3.974 1042 HG2 GLN 146 HG2 GLN 146 2.613 -16.385 5.163 1043 HG3 GLN 146 HG3 GLN 146 1.951 -14.782 4.836 1044 HE21 GLN 146 HE21 GLN 146 0.988 -14.370 2.856 1045 HE22 GLN 146 HE22 GLN 146 0.538 -15.635 1.761 1046 H LEU 147 H LEU 147 3.589 -13.524 7.305 1047 HA LEU 147 HA LEU 147 1.509 -11.731 6.361 1048 HB2 LEU 147 HB2 LEU 147 2.236 -12.648 9.144 1049 HB3 LEU 147 HB3 LEU 147 0.807 -11.725 8.717 1050 HG LEU 147 HG LEU 147 1.417 -14.517 7.754 1051 HD11 LEU 147 HD11 LEU 147 -0.504 -13.532 9.854 1052 HD12 LEU 147 HD12 LEU 147 0.958 -14.480 10.132 1053 HD13 LEU 147 HD13 LEU 147 -0.398 -15.188 9.253 1054 HD21 LEU 147 HD21 LEU 147 -0.871 -14.483 6.916 1055 HD22 LEU 147 HD22 LEU 147 0.093 -13.209 6.170 1056 HD23 LEU 147 HD23 LEU 147 -1.053 -12.814 7.449 1057 H ARG 148 H ARG 148 4.167 -10.923 5.958 1058 HA ARG 148 HA ARG 148 4.912 -9.032 7.989 1059 HB2 ARG 148 HB2 ARG 148 5.979 -9.417 5.183 1060 HB3 ARG 148 HB3 ARG 148 6.710 -8.408 6.424 1061 HG2 ARG 148 HG2 ARG 148 7.028 -10.421 7.820 1062 HG3 ARG 148 HG3 ARG 148 6.393 -11.401 6.497 1063 HD2 ARG 148 HD2 ARG 148 8.210 -10.700 5.063 1064 HD3 ARG 148 HD3 ARG 148 8.810 -9.609 6.312 1065 HE ARG 148 HE ARG 148 8.690 -12.213 7.373 1066 HH11 ARG 148 HH11 ARG 148 10.468 -10.400 4.948 1067 HH12 ARG 148 HH12 ARG 148 11.926 -11.329 5.143 1068 HH21 ARG 148 HH21 ARG 148 10.574 -13.451 7.613 1069 HH22 ARG 148 HH22 ARG 148 11.988 -13.077 6.664 1070 H THR 149 H THR 149 3.606 -7.351 8.250 1071 HA THR 149 HA THR 149 2.353 -6.138 5.908 1072 HB THR 149 HB THR 149 1.854 -5.664 8.857 1073 HG1 THR 149 HG1 THR 149 1.138 -7.712 8.233 1074 HG21 THR 149 HG21 THR 149 1.286 -3.702 7.510 1075 HG22 THR 149 HG22 THR 149 -0.170 -4.489 8.119 1076 HG23 THR 149 HG23 THR 149 0.313 -4.711 6.436 1077 H ARG 150 H ARG 150 3.616 -4.736 4.969 1078 HA ARG 150 HA ARG 150 5.563 -3.138 6.320 1079 HB2 ARG 150 HB2 ARG 150 4.542 -2.495 3.574 1080 HB3 ARG 150 HB3 ARG 150 6.172 -2.340 4.211 1081 HG2 ARG 150 HG2 ARG 150 6.503 -4.711 4.098 1082 HG3 ARG 150 HG3 ARG 150 4.820 -4.966 3.636 1083 HD2 ARG 150 HD2 ARG 150 5.386 -3.395 1.654 1084 HD3 ARG 150 HD3 ARG 150 7.061 -3.780 2.044 1085 HE ARG 150 HE ARG 150 5.561 -6.164 1.848 1086 HH11 ARG 150 HH11 ARG 150 6.871 -3.602 -0.148 1087 HH12 ARG 150 HH12 ARG 150 6.995 -4.588 -1.577 1088 HH21 ARG 150 HH21 ARG 150 5.711 -7.469 -0.017 1089 HH22 ARG 150 HH22 ARG 150 6.336 -6.802 -1.492 1090 H VAL 151 H VAL 151 4.554 -1.842 7.813 1091 HA VAL 151 HA VAL 151 2.479 -0.027 6.863 1092 HB VAL 151 HB VAL 151 2.059 -0.944 9.055 1093 HG11 VAL 151 HG11 VAL 151 4.337 -1.491 9.706 1094 HG12 VAL 151 HG12 VAL 151 3.525 -0.561 10.966 1095 HG13 VAL 151 HG13 VAL 151 4.701 0.223 9.910 1096 HG21 VAL 151 HG21 VAL 151 1.815 1.109 10.379 1097 HG22 VAL 151 HG22 VAL 151 1.330 1.343 8.699 1098 HG23 VAL 151 HG23 VAL 151 2.888 1.950 9.261 1099 H SER 152 H SER 152 3.086 1.732 5.861 1100 HA SER 152 HA SER 152 5.615 3.010 6.663 1101 HB2 SER 152 HB2 SER 152 5.517 2.066 4.317 1102 HB3 SER 152 HB3 SER 152 4.264 3.255 3.968 1103 HG SER 152 HG SER 152 6.609 4.203 5.126 1104 H LEU 153 H LEU 153 5.573 5.147 7.170 1105 HA LEU 153 HA LEU 153 2.875 6.340 7.264 1106 HB2 LEU 153 HB2 LEU 153 3.689 5.603 9.461 1107 HB3 LEU 153 HB3 LEU 153 5.114 6.600 9.262 1108 HG LEU 153 HG LEU 153 3.643 8.616 9.221 1109 HD11 LEU 153 HD11 LEU 153 1.576 7.556 8.496 1110 HD12 LEU 153 HD12 LEU 153 1.342 8.395 10.029 1111 HD13 LEU 153 HD13 LEU 153 1.502 6.639 10.001 1112 HD21 LEU 153 HD21 LEU 153 4.793 7.897 11.258 1113 HD22 LEU 153 HD22 LEU 153 3.413 6.880 11.676 1114 HD23 LEU 153 HD23 LEU 153 3.232 8.634 11.622 1115 H MET 154 H MET 154 2.678 8.536 6.924 1116 HA MET 154 HA MET 154 4.592 9.879 5.336 1117 HB2 MET 154 HB2 MET 154 2.238 10.928 6.924 1118 HB3 MET 154 HB3 MET 154 3.183 11.900 5.805 1119 HG2 MET 154 HG2 MET 154 2.451 10.645 3.945 1120 HG3 MET 154 HG3 MET 154 1.759 9.392 4.975 1121 HE1 MET 154 HE1 MET 154 -1.244 11.286 6.616 1122 HE2 MET 154 HE2 MET 154 0.405 11.279 7.237 1123 HE3 MET 154 HE3 MET 154 -0.292 9.802 6.576 1124 H LEU 155 H LEU 155 6.108 11.406 5.901 1125 HA LEU 155 HA LEU 155 7.043 11.198 8.628 1126 HB2 LEU 155 HB2 LEU 155 8.275 12.677 6.307 1127 HB3 LEU 155 HB3 LEU 155 9.060 12.271 7.821 1128 HG LEU 155 HG LEU 155 8.106 10.260 5.778 1129 HD11 LEU 155 HD11 LEU 155 10.471 9.911 5.306 1130 HD12 LEU 155 HD12 LEU 155 10.888 11.224 6.407 1131 HD13 LEU 155 HD13 LEU 155 9.976 11.563 4.935 1132 HD21 LEU 155 HD21 LEU 155 8.089 9.393 8.056 1133 HD22 LEU 155 HD22 LEU 155 9.763 9.906 8.268 1134 HD23 LEU 155 HD23 LEU 155 9.367 8.649 7.095 1135 H HIS 156 H HIS 156 8.177 13.477 9.306 1136 HA HIS 156 HA HIS 156 7.688 15.319 10.516 1137 HB2 HIS 156 HB2 HIS 156 7.539 16.480 8.377 1138 HB3 HIS 156 HB3 HIS 156 5.866 15.964 8.181 1139 HD1 HIS 156 HD1 HIS 156 4.355 17.889 8.583 1140 HD2 HIS 156 HD2 HIS 156 7.649 17.949 11.119 1141 HE1 HIS 156 HE1 HIS 156 4.014 19.867 10.092 1142 HE2 HIS 156 HE2 HIS 156 5.890 19.727 11.770 1143 H GLU 157 H GLU 157 6.808 14.111 12.173 1144 HA GLU 157 HA GLU 157 5.265 13.487 13.709 1145 HB2 GLU 157 HB2 GLU 157 4.651 15.977 13.269 1146 HB3 GLU 157 HB3 GLU 157 3.267 15.319 12.410 1147 HG2 GLU 157 HG2 GLU 157 2.448 14.266 14.388 1148 HG3 GLU 157 HG3 GLU 157 3.919 14.673 15.272 1149 H SER 158 H SER 158 2.453 13.139 13.482 1150 HA SER 158 HA SER 158 2.353 11.067 11.398 1151 HB2 SER 158 HB2 SER 158 1.005 11.048 14.108 1152 HB3 SER 158 HB3 SER 158 0.909 9.770 12.898 1153 HG SER 158 HG SER 158 3.417 10.073 13.168 1154 H LEU 159 H LEU 159 -0.084 10.398 11.091 1155 HA LEU 159 HA LEU 159 -1.451 12.731 10.105 1156 HB2 LEU 159 HB2 LEU 159 -3.182 10.935 9.454 1157 HB3 LEU 159 HB3 LEU 159 -1.623 10.934 8.655 1158 HG LEU 159 HG LEU 159 -0.916 9.138 10.314 1159 HD11 LEU 159 HD11 LEU 159 -3.887 9.017 10.809 1160 HD12 LEU 159 HD12 LEU 159 -2.649 9.467 11.983 1161 HD13 LEU 159 HD13 LEU 159 -2.701 7.825 11.341 1162 HD21 LEU 159 HD21 LEU 159 -2.021 7.356 9.050 1163 HD22 LEU 159 HD22 LEU 159 -1.428 8.641 7.997 1164 HD23 LEU 159 HD23 LEU 159 -3.147 8.536 8.379 1165 H GLU 160 H GLU 160 -1.140 12.316 13.027 1166 HA GLU 160 HA GLU 160 -3.876 12.736 13.833 1167 HB2 GLU 160 HB2 GLU 160 -3.420 10.249 13.944 1168 HB3 GLU 160 HB3 GLU 160 -2.199 10.596 15.160 1169 HG2 GLU 160 HG2 GLU 160 -3.849 11.413 16.677 1170 HG3 GLU 160 HG3 GLU 160 -5.103 11.328 15.438 1171 H HIS 161 H HIS 161 -4.001 13.768 15.907 1172 HA HIS 161 HA HIS 161 -1.806 15.568 16.324 1173 HB2 HIS 161 HB2 HIS 161 -4.302 16.104 16.420 1174 HB3 HIS 161 HB3 HIS 161 -4.307 15.329 17.996 1175 HD1 HIS 161 HD1 HIS 161 -3.381 18.464 16.253 1176 HD2 HIS 161 HD2 HIS 161 -2.954 16.783 20.035 1177 HE1 HIS 161 HE1 HIS 161 -2.702 20.357 17.768 1178 HE2 HIS 161 HE2 HIS 161 -2.291 19.285 20.016 1179 H HIS 162 H HIS 162 -0.486 13.507 16.877 1180 HA HIS 162 HA HIS 162 0.682 12.219 18.322 1181 HB2 HIS 162 HB2 HIS 162 1.000 14.462 19.471 1182 HB3 HIS 162 HB3 HIS 162 -0.305 13.998 20.558 1183 HD1 HIS 162 HD1 HIS 162 1.011 13.708 22.692 1184 HD2 HIS 162 HD2 HIS 162 2.635 11.592 19.500 1185 HE1 HIS 162 HE1 HIS 162 2.837 12.280 23.677 1186 HE2 HIS 162 HE2 HIS 162 3.676 10.877 21.758 1187 H HIS 163 H HIS 163 0.027 10.237 18.661 1188 HA HIS 163 HA HIS 163 -2.603 9.492 18.693 1189 HB2 HIS 163 HB2 HIS 163 -0.712 8.041 18.041 1190 HB3 HIS 163 HB3 HIS 163 -0.297 7.847 19.742 1191 HD1 HIS 163 HD1 HIS 163 -3.448 7.386 17.648 1192 HD2 HIS 163 HD2 HIS 163 -1.319 5.542 20.716 1193 HE1 HIS 163 HE1 HIS 163 -4.704 5.264 18.179 1194 HE2 HIS 163 HE2 HIS 163 -3.412 4.170 20.046 1195 H HIS 164 H HIS 164 -0.429 9.374 21.539 1196 HA HIS 164 HA HIS 164 -2.876 9.463 23.181 1197 HB2 HIS 164 HB2 HIS 164 -1.513 7.260 23.178 1198 HB3 HIS 164 HB3 HIS 164 -0.339 8.154 24.139 1199 HD1 HIS 164 HD1 HIS 164 -0.684 7.954 26.584 1200 HD2 HIS 164 HD2 HIS 164 -4.228 7.441 24.467 1201 HE1 HIS 164 HE1 HIS 164 -2.438 7.437 28.307 1202 HE2 HIS 164 HE2 HIS 164 -4.608 7.381 27.026 1203 H HIS 165 H HIS 165 -2.844 10.742 25.028 1204 HA HIS 165 HA HIS 165 -1.158 13.036 24.870 1205 HB2 HIS 165 HB2 HIS 165 -3.493 13.163 25.643 1206 HB3 HIS 165 HB3 HIS 165 -3.082 12.190 27.049 1207 HD1 HIS 165 HD1 HIS 165 -1.701 13.359 28.941 1208 HD2 HIS 165 HD2 HIS 165 -2.835 15.859 25.814 1209 HE1 HIS 165 HE1 HIS 165 -1.367 15.701 29.793 1210 HE2 HIS 165 HE2 HIS 165 -2.263 17.190 27.964 1211 H HIS 166 H HIS 166 0.945 12.663 25.268 1212 HA HIS 166 HA HIS 166 1.658 12.306 28.043 1213 HB2 HIS 166 HB2 HIS 166 1.719 9.981 27.128 1214 HB3 HIS 166 HB3 HIS 166 2.903 10.513 25.941 1215 HD1 HIS 166 HD1 HIS 166 5.319 10.616 26.671 1216 HD2 HIS 166 HD2 HIS 166 2.704 9.957 29.834 1217 HE1 HIS 166 HE1 HIS 166 6.774 10.081 28.652 1218 HE2 HIS 166 HE2 HIS 166 5.175 9.838 30.595 Start of MODEL 17 1 H1 MET 1 H1 MET 1 2.555 1.508 28.576 2 H2 MET 1 H2 MET 1 3.183 1.435 27.007 3 H3 MET 1 H3 MET 1 4.232 1.567 28.332 4 HA MET 1 HA MET 1 3.451 -0.592 29.142 5 HB2 MET 1 HB2 MET 1 2.245 -2.038 27.508 6 HB3 MET 1 HB3 MET 1 1.287 -0.684 28.085 7 HG2 MET 1 HG2 MET 1 1.776 0.531 26.015 8 HG3 MET 1 HG3 MET 1 2.705 -0.850 25.437 9 HE1 MET 1 HE1 MET 1 0.290 0.549 23.848 10 HE2 MET 1 HE2 MET 1 -0.528 -0.876 23.207 11 HE3 MET 1 HE3 MET 1 1.234 -0.800 23.215 12 H ASP 2 H ASP 2 5.311 -1.593 29.146 13 HA ASP 2 HA ASP 2 6.789 -1.841 26.606 14 HB2 ASP 2 HB2 ASP 2 7.853 -1.692 29.436 15 HB3 ASP 2 HB3 ASP 2 8.839 -2.075 28.029 16 H PHE 3 H PHE 3 5.792 -3.753 26.006 17 HA PHE 3 HA PHE 3 6.845 -6.147 27.158 18 HB2 PHE 3 HB2 PHE 3 4.995 -5.651 28.746 19 HB3 PHE 3 HB3 PHE 3 3.861 -5.660 27.402 20 HD1 PHE 3 HD2 PHE 3 6.260 -7.780 29.265 21 HD2 PHE 3 HD1 PHE 3 2.868 -7.654 26.698 22 HE1 PHE 3 HE2 PHE 3 5.943 -10.197 29.573 23 HE2 PHE 3 HE1 PHE 3 2.545 -10.075 27.002 24 HZ PHE 3 HZ PHE 3 4.086 -11.349 28.440 25 H GLU 4 H GLU 4 6.447 -7.972 25.859 26 HA GLU 4 HA GLU 4 5.871 -9.211 24.061 27 HB2 GLU 4 HB2 GLU 4 3.579 -8.286 24.393 28 HB3 GLU 4 HB3 GLU 4 3.987 -6.972 23.302 29 HG2 GLU 4 HG2 GLU 4 2.658 -8.779 22.257 30 HG3 GLU 4 HG3 GLU 4 4.200 -8.479 21.457 31 H CYS 5 H CYS 5 6.093 -9.257 21.680 32 HA CYS 5 HA CYS 5 8.463 -8.062 20.831 33 HB2 CYS 5 HB2 CYS 5 6.250 -9.058 19.026 34 HB3 CYS 5 HB3 CYS 5 7.972 -8.990 18.668 35 HG CYS 5 HG CYS 5 6.474 -11.082 20.936 36 H GLN 6 H GLN 6 8.908 -6.077 20.125 37 HA GLN 6 HA GLN 6 6.655 -4.347 19.441 38 HB2 GLN 6 HB2 GLN 6 9.435 -3.664 20.417 39 HB3 GLN 6 HB3 GLN 6 8.228 -2.474 19.943 40 HG2 GLN 6 HG2 GLN 6 6.734 -3.348 21.704 41 HG3 GLN 6 HG3 GLN 6 8.020 -4.437 22.216 42 HE21 GLN 6 HE21 GLN 6 6.659 -2.311 23.657 43 HE22 GLN 6 HE22 GLN 6 7.888 -1.215 24.180 44 H PHE 7 H PHE 7 8.246 -2.359 18.211 45 HA PHE 7 HA PHE 7 8.710 -3.708 15.641 46 HB2 PHE 7 HB2 PHE 7 7.717 -1.403 14.770 47 HB3 PHE 7 HB3 PHE 7 6.676 -2.759 15.189 48 HD1 PHE 7 HD2 PHE 7 8.139 0.362 16.591 49 HD2 PHE 7 HD1 PHE 7 5.011 -2.518 16.781 50 HE1 PHE 7 HE2 PHE 7 6.954 1.760 18.233 51 HE2 PHE 7 HE1 PHE 7 3.822 -1.126 18.425 52 HZ PHE 7 HZ PHE 7 4.793 1.017 19.154 53 H VAL 8 H VAL 8 10.138 -2.741 14.202 54 HA VAL 8 HA VAL 8 11.981 -0.785 15.401 55 HB VAL 8 HB VAL 8 12.567 -2.900 13.318 56 HG11 VAL 8 HG11 VAL 8 14.436 -0.935 14.637 57 HG12 VAL 8 HG12 VAL 8 13.887 -0.870 12.963 58 HG13 VAL 8 HG13 VAL 8 14.896 -2.209 13.508 59 HG21 VAL 8 HG21 VAL 8 12.276 -3.834 15.553 60 HG22 VAL 8 HG22 VAL 8 13.453 -2.686 16.193 61 HG23 VAL 8 HG23 VAL 8 13.962 -3.924 15.045 62 H CYS 9 H CYS 9 12.111 1.121 14.449 63 HA CYS 9 HA CYS 9 10.710 1.537 11.917 64 HB2 CYS 9 HB2 CYS 9 11.866 3.562 13.848 65 HB3 CYS 9 HB3 CYS 9 10.798 3.902 12.491 66 HG CYS 9 HG CYS 9 9.977 3.348 15.560 67 H GLU 10 H GLU 10 11.835 1.510 10.098 68 HA GLU 10 HA GLU 10 14.459 2.793 10.025 69 HB2 GLU 10 HB2 GLU 10 15.392 0.919 8.692 70 HB3 GLU 10 HB3 GLU 10 15.009 0.457 10.343 71 HG2 GLU 10 HG2 GLU 10 12.908 -0.558 9.540 72 HG3 GLU 10 HG3 GLU 10 13.376 -0.156 7.889 73 H LEU 11 H LEU 11 15.173 3.076 7.676 74 HA LEU 11 HA LEU 11 12.829 3.816 6.150 75 HB2 LEU 11 HB2 LEU 11 14.522 4.911 4.655 76 HB3 LEU 11 HB3 LEU 11 14.348 5.582 6.253 77 HG LEU 11 HG LEU 11 16.437 4.230 6.866 78 HD11 LEU 11 HD11 LEU 11 16.469 2.739 4.929 79 HD12 LEU 11 HD12 LEU 11 17.942 3.706 5.017 80 HD13 LEU 11 HD13 LEU 11 16.678 4.127 3.861 81 HD21 LEU 11 HD21 LEU 11 16.396 6.642 6.582 82 HD22 LEU 11 HD22 LEU 11 16.618 6.448 4.843 83 HD23 LEU 11 HD23 LEU 11 17.895 5.957 5.955 84 H LYS 12 H LYS 12 12.287 3.001 4.213 85 HA LYS 12 HA LYS 12 14.091 1.027 3.001 86 HB2 LYS 12 HB2 LYS 12 11.073 0.730 3.089 87 HB3 LYS 12 HB3 LYS 12 12.223 -0.418 2.426 88 HG2 LYS 12 HG2 LYS 12 11.944 0.304 5.337 89 HG3 LYS 12 HG3 LYS 12 11.318 -1.155 4.570 90 HD2 LYS 12 HD2 LYS 12 14.228 -0.372 4.749 91 HD3 LYS 12 HD3 LYS 12 13.424 -1.560 5.774 92 HE2 LYS 12 HE2 LYS 12 12.936 -2.927 3.807 93 HE3 LYS 12 HE3 LYS 12 13.729 -1.733 2.780 94 HZ1 LYS 12 HZ1 LYS 12 15.209 -3.560 3.262 95 HZ2 LYS 12 HZ2 LYS 12 15.024 -3.325 4.929 96 HZ3 LYS 12 HZ3 LYS 12 15.799 -2.144 3.988 97 H GLU 13 H GLU 13 13.647 0.797 0.628 98 HA GLU 13 HA GLU 13 12.406 3.264 -0.373 99 HB2 GLU 13 HB2 GLU 13 13.861 3.065 -2.371 100 HB3 GLU 13 HB3 GLU 13 14.738 3.352 -0.881 101 HG2 GLU 13 HG2 GLU 13 15.293 0.951 -0.786 102 HG3 GLU 13 HG3 GLU 13 14.486 0.737 -2.342 103 H LEU 14 H LEU 14 10.659 3.070 -1.476 104 HA LEU 14 HA LEU 14 9.568 0.499 -2.078 105 HB2 LEU 14 HB2 LEU 14 8.189 2.422 -1.359 106 HB3 LEU 14 HB3 LEU 14 8.583 3.251 -2.850 107 HG LEU 14 HG LEU 14 7.413 1.487 -4.126 108 HD11 LEU 14 HD11 LEU 14 7.728 -0.362 -2.567 109 HD12 LEU 14 HD12 LEU 14 6.019 -0.135 -2.944 110 HD13 LEU 14 HD13 LEU 14 6.664 0.431 -1.403 111 HD21 LEU 14 HD21 LEU 14 5.762 2.761 -1.945 112 HD22 LEU 14 HD22 LEU 14 5.144 2.120 -3.467 113 HD23 LEU 14 HD23 LEU 14 6.223 3.514 -3.472 114 H ALA 15 H ALA 15 9.244 -0.451 -4.056 115 HA ALA 15 HA ALA 15 10.782 0.687 -6.285 116 HB1 ALA 15 HB1 ALA 15 11.560 -1.503 -5.514 117 HB2 ALA 15 HB2 ALA 15 10.912 -1.600 -7.151 118 HB3 ALA 15 HB3 ALA 15 9.953 -2.178 -5.790 119 HA PRO 16 HA PRO 16 7.020 1.250 -8.577 120 HB2 PRO 16 HB2 PRO 16 8.507 0.571 -11.022 121 HB3 PRO 16 HB3 PRO 16 7.757 2.099 -10.554 122 HG2 PRO 16 HG2 PRO 16 10.426 1.794 -10.620 123 HG3 PRO 16 HG3 PRO 16 9.628 2.823 -9.416 124 HD2 PRO 16 HD2 PRO 16 10.703 0.040 -9.117 125 HD3 PRO 16 HD3 PRO 16 10.831 1.423 -8.007 126 H VAL 17 H VAL 17 5.486 -0.258 -8.447 127 HA VAL 17 HA VAL 17 5.871 -2.793 -9.852 128 HB VAL 17 HB VAL 17 6.471 -3.364 -7.607 129 HG11 VAL 17 HG11 VAL 17 3.847 -2.178 -6.720 130 HG12 VAL 17 HG12 VAL 17 5.455 -1.541 -6.378 131 HG13 VAL 17 HG13 VAL 17 4.958 -3.091 -5.698 132 HG21 VAL 17 HG21 VAL 17 5.183 -5.018 -8.810 133 HG22 VAL 17 HG22 VAL 17 3.678 -4.308 -8.226 134 HG23 VAL 17 HG23 VAL 17 4.788 -5.077 -7.092 135 HA PRO 18 HA PRO 18 2.101 -0.907 -11.619 136 HB2 PRO 18 HB2 PRO 18 2.363 -3.667 -12.764 137 HB3 PRO 18 HB3 PRO 18 1.868 -2.166 -13.559 138 HG2 PRO 18 HG2 PRO 18 4.353 -3.098 -13.823 139 HG3 PRO 18 HG3 PRO 18 4.031 -1.359 -13.686 140 HD2 PRO 18 HD2 PRO 18 5.256 -3.207 -11.731 141 HD3 PRO 18 HD3 PRO 18 5.412 -1.444 -11.871 142 H ALA 19 H ALA 19 0.114 -0.988 -10.851 143 HA ALA 19 HA ALA 19 -0.968 -3.455 -9.726 144 HB1 ALA 19 HB1 ALA 19 0.147 -2.363 -7.849 145 HB2 ALA 19 HB2 ALA 19 -1.605 -2.329 -7.640 146 HB3 ALA 19 HB3 ALA 19 -0.751 -0.878 -8.167 147 H LEU 20 H LEU 20 -3.289 -3.192 -9.158 148 HA LEU 20 HA LEU 20 -4.591 -1.130 -10.819 149 HB2 LEU 20 HB2 LEU 20 -4.924 -3.531 -11.522 150 HB3 LEU 20 HB3 LEU 20 -5.744 -3.799 -9.995 151 HG LEU 20 HG LEU 20 -7.464 -2.164 -10.623 152 HD11 LEU 20 HD11 LEU 20 -7.548 -1.295 -12.905 153 HD12 LEU 20 HD12 LEU 20 -5.974 -2.016 -13.238 154 HD13 LEU 20 HD13 LEU 20 -6.118 -0.723 -12.047 155 HD21 LEU 20 HD21 LEU 20 -7.006 -4.258 -12.739 156 HD22 LEU 20 HD22 LEU 20 -8.540 -3.477 -12.356 157 HD23 LEU 20 HD23 LEU 20 -7.768 -4.532 -11.174 158 H LEU 21 H LEU 21 -5.828 0.313 -9.748 159 HA LEU 21 HA LEU 21 -6.331 -0.223 -6.902 160 HB2 LEU 21 HB2 LEU 21 -5.519 2.135 -6.457 161 HB3 LEU 21 HB3 LEU 21 -4.297 0.929 -6.815 162 HG LEU 21 HG LEU 21 -5.310 2.550 -9.095 163 HD11 LEU 21 HD11 LEU 21 -5.024 4.214 -7.332 164 HD12 LEU 21 HD12 LEU 21 -3.789 4.373 -8.580 165 HD13 LEU 21 HD13 LEU 21 -3.389 3.619 -7.037 166 HD21 LEU 21 HD21 LEU 21 -3.633 0.788 -9.415 167 HD22 LEU 21 HD22 LEU 21 -2.564 1.602 -8.272 168 HD23 LEU 21 HD23 LEU 21 -2.984 2.381 -9.798 169 H ILE 22 H ILE 22 -7.936 0.937 -5.918 170 HA ILE 22 HA ILE 22 -9.728 2.512 -7.644 171 HB ILE 22 HB ILE 22 -10.315 1.372 -4.897 172 HG12 ILE 22 HG12 ILE 22 -9.942 -0.451 -6.511 173 HG13 ILE 22 HG13 ILE 22 -11.627 -0.364 -6.011 174 HG21 ILE 22 HG21 ILE 22 -12.132 2.547 -6.997 175 HG22 ILE 22 HG22 ILE 22 -11.665 3.304 -5.473 176 HG23 ILE 22 HG23 ILE 22 -12.653 1.842 -5.466 177 HD11 ILE 22 HD11 ILE 22 -11.394 -0.804 -8.397 178 HD12 ILE 22 HD12 ILE 22 -10.516 0.714 -8.589 179 HD13 ILE 22 HD13 ILE 22 -12.209 0.730 -8.091 180 H ARG 23 H ARG 23 -9.418 4.678 -7.420 181 HA ARG 23 HA ARG 23 -8.311 5.605 -4.857 182 HB2 ARG 23 HB2 ARG 23 -7.299 7.464 -6.050 183 HB3 ARG 23 HB3 ARG 23 -6.797 5.937 -6.754 184 HG2 ARG 23 HG2 ARG 23 -8.562 6.292 -8.510 185 HG3 ARG 23 HG3 ARG 23 -8.753 7.924 -7.865 186 HD2 ARG 23 HD2 ARG 23 -6.331 6.698 -9.157 187 HD3 ARG 23 HD3 ARG 23 -7.247 8.110 -9.679 188 HE ARG 23 HE ARG 23 -5.718 8.135 -7.154 189 HH11 ARG 23 HH11 ARG 23 -6.363 9.453 -10.337 190 HH12 ARG 23 HH12 ARG 23 -5.339 10.835 -10.109 191 HH21 ARG 23 HH21 ARG 23 -4.356 9.965 -6.867 192 HH22 ARG 23 HH22 ARG 23 -4.215 11.130 -8.152 193 H THR 24 H THR 24 -9.605 6.703 -3.600 194 HA THR 24 HA THR 24 -11.403 8.694 -4.703 195 HB THR 24 HB THR 24 -12.831 6.692 -4.689 196 HG1 THR 24 HG1 THR 24 -14.447 7.559 -3.140 197 HG21 THR 24 HG21 THR 24 -13.414 5.586 -2.575 198 HG22 THR 24 HG22 THR 24 -12.226 6.579 -1.732 199 HG23 THR 24 HG23 THR 24 -11.698 5.413 -2.945 200 H GLN 25 H GLN 25 -11.959 10.305 -3.176 201 HA GLN 25 HA GLN 25 -10.452 10.127 -0.662 202 HB2 GLN 25 HB2 GLN 25 -10.657 12.590 -0.556 203 HB3 GLN 25 HB3 GLN 25 -9.797 12.036 -1.981 204 HG2 GLN 25 HG2 GLN 25 -11.876 12.343 -3.294 205 HG3 GLN 25 HG3 GLN 25 -12.634 13.025 -1.855 206 HE21 GLN 25 HE21 GLN 25 -10.264 13.494 -4.342 207 HE22 GLN 25 HE22 GLN 25 -10.008 15.184 -4.064 208 H THR 26 H THR 26 -11.464 9.986 1.203 209 HA THR 26 HA THR 26 -14.239 10.795 1.488 210 HB THR 26 HB THR 26 -14.366 8.496 0.542 211 HG1 THR 26 HG1 THR 26 -15.974 7.937 1.877 212 HG21 THR 26 HG21 THR 26 -12.274 7.601 1.443 213 HG22 THR 26 HG22 THR 26 -13.645 6.579 1.879 214 HG23 THR 26 HG23 THR 26 -12.943 7.670 3.074 215 H ALA 27 H ALA 27 -14.735 9.474 3.907 216 HA ALA 27 HA ALA 27 -12.684 10.685 5.632 217 HB1 ALA 27 HB1 ALA 27 -15.569 10.061 6.246 218 HB2 ALA 27 HB2 ALA 27 -14.909 11.655 5.873 219 HB3 ALA 27 HB3 ALA 27 -14.418 10.817 7.346 220 H MET 28 H MET 28 -12.337 9.587 7.732 221 HA MET 28 HA MET 28 -11.424 6.968 7.285 222 HB2 MET 28 HB2 MET 28 -11.857 8.457 9.877 223 HB3 MET 28 HB3 MET 28 -11.020 6.917 9.753 224 HG2 MET 28 HG2 MET 28 -9.346 7.943 8.302 225 HG3 MET 28 HG3 MET 28 -10.182 9.487 8.440 226 HE1 MET 28 HE1 MET 28 -9.689 6.812 11.283 227 HE2 MET 28 HE2 MET 28 -8.172 7.348 12.004 228 HE3 MET 28 HE3 MET 28 -8.188 6.704 10.363 229 H SER 29 H SER 29 -14.493 8.109 8.410 230 HA SER 29 HA SER 29 -15.253 5.713 9.767 231 HB2 SER 29 HB2 SER 29 -17.025 7.923 8.708 232 HB3 SER 29 HB3 SER 29 -17.428 6.751 9.963 233 HG SER 29 HG SER 29 -15.574 7.653 11.139 234 H GLU 30 H GLU 30 -15.111 6.587 6.480 235 HA GLU 30 HA GLU 30 -17.087 4.530 5.753 236 HB2 GLU 30 HB2 GLU 30 -17.415 6.890 4.933 237 HB3 GLU 30 HB3 GLU 30 -15.940 6.706 3.996 238 HG2 GLU 30 HG2 GLU 30 -16.940 4.952 2.688 239 HG3 GLU 30 HG3 GLU 30 -18.388 4.988 3.692 240 H LEU 31 H LEU 31 -13.949 4.751 6.307 241 HA LEU 31 HA LEU 31 -12.603 3.954 3.986 242 HB2 LEU 31 HB2 LEU 31 -11.810 4.735 6.394 243 HB3 LEU 31 HB3 LEU 31 -11.704 3.010 6.673 244 HG LEU 31 HG LEU 31 -9.546 4.045 6.034 245 HD11 LEU 31 HD11 LEU 31 -8.921 2.412 4.322 246 HD12 LEU 31 HD12 LEU 31 -10.626 2.054 4.049 247 HD13 LEU 31 HD13 LEU 31 -9.886 1.684 5.607 248 HD21 LEU 31 HD21 LEU 31 -9.198 4.773 3.732 249 HD22 LEU 31 HD22 LEU 31 -10.413 5.763 4.541 250 HD23 LEU 31 HD23 LEU 31 -10.911 4.524 3.390 251 H GLY 32 H GLY 32 -13.905 2.012 6.672 252 HA2 GLY 32 HA2 GLY 32 -13.035 -0.488 5.695 253 HA3 GLY 32 HA3 GLY 32 -14.315 -0.236 6.870 254 H SER 33 H SER 33 -16.067 1.262 5.247 255 HA SER 33 HA SER 33 -17.425 -0.856 3.947 256 HB2 SER 33 HB2 SER 33 -18.613 1.002 5.021 257 HB3 SER 33 HB3 SER 33 -17.934 2.129 3.849 258 HG SER 33 HG SER 33 -19.867 1.658 3.005 259 H LEU 34 H LEU 34 -15.565 1.912 2.770 260 HA LEU 34 HA LEU 34 -16.188 1.628 0.038 261 HB2 LEU 34 HB2 LEU 34 -14.981 3.527 1.444 262 HB3 LEU 34 HB3 LEU 34 -13.539 2.693 0.908 263 HG LEU 34 HG LEU 34 -14.074 4.601 -0.528 264 HD11 LEU 34 HD11 LEU 34 -13.991 3.472 -2.690 265 HD12 LEU 34 HD12 LEU 34 -14.458 1.957 -1.919 266 HD13 LEU 34 HD13 LEU 34 -12.913 2.708 -1.521 267 HD21 LEU 34 HD21 LEU 34 -16.485 4.629 -0.244 268 HD22 LEU 34 HD22 LEU 34 -16.623 3.106 -1.123 269 HD23 LEU 34 HD23 LEU 34 -16.065 4.558 -1.956 270 H PHE 35 H PHE 35 -13.369 0.530 1.917 271 HA PHE 35 HA PHE 35 -12.062 -0.727 -0.242 272 HB2 PHE 35 HB2 PHE 35 -11.828 -0.933 2.738 273 HB3 PHE 35 HB3 PHE 35 -10.940 -2.052 1.710 274 HD1 PHE 35 HD1 PHE 35 -11.607 1.470 0.840 275 HD2 PHE 35 HD2 PHE 35 -8.757 -1.333 2.300 276 HE1 PHE 35 HE1 PHE 35 -9.825 3.139 0.560 277 HE2 PHE 35 HE2 PHE 35 -6.970 0.336 2.025 278 HZ PHE 35 HZ PHE 35 -7.504 2.576 1.155 279 H GLU 36 H GLU 36 -14.426 -1.885 2.087 280 HA GLU 36 HA GLU 36 -14.232 -4.635 1.537 281 HB2 GLU 36 HB2 GLU 36 -15.660 -3.090 3.286 282 HB3 GLU 36 HB3 GLU 36 -16.920 -3.615 2.179 283 HG2 GLU 36 HG2 GLU 36 -15.050 -5.411 3.704 284 HG3 GLU 36 HG3 GLU 36 -16.734 -5.087 4.107 285 H ALA 37 H ALA 37 -16.407 -2.147 0.230 286 HA ALA 37 HA ALA 37 -17.775 -3.915 -1.529 287 HB1 ALA 37 HB1 ALA 37 -17.584 -0.907 -1.632 288 HB2 ALA 37 HB2 ALA 37 -18.760 -1.827 -0.694 289 HB3 ALA 37 HB3 ALA 37 -18.781 -1.908 -2.456 290 H GLY 38 H GLY 38 -14.929 -1.902 -1.833 291 HA2 GLY 38 HA2 GLY 38 -14.778 -1.854 -4.655 292 HA3 GLY 38 HA3 GLY 38 -13.443 -1.569 -3.550 293 H TYR 39 H TYR 39 -12.997 -3.886 -2.319 294 HA TYR 39 HA TYR 39 -11.798 -5.435 -4.412 295 HB2 TYR 39 HB2 TYR 39 -10.639 -5.061 -2.283 296 HB3 TYR 39 HB3 TYR 39 -11.905 -5.926 -1.431 297 HD1 TYR 39 HD2 TYR 39 -9.264 -6.370 -4.012 298 HD2 TYR 39 HD1 TYR 39 -11.750 -8.236 -1.106 299 HE1 TYR 39 HE2 TYR 39 -8.018 -8.471 -4.303 300 HE2 TYR 39 HE1 TYR 39 -10.514 -10.341 -1.388 301 HH TYR 39 HH TYR 39 -7.553 -10.559 -2.857 302 H HIS 40 H HIS 40 -14.764 -5.532 -2.759 303 HA HIS 40 HA HIS 40 -15.425 -8.256 -2.947 304 HB2 HIS 40 HB2 HIS 40 -16.791 -6.793 -1.619 305 HB3 HIS 40 HB3 HIS 40 -17.147 -5.773 -3.005 306 HD1 HIS 40 HD1 HIS 40 -19.358 -6.172 -4.025 307 HD2 HIS 40 HD2 HIS 40 -17.923 -9.554 -2.065 308 HE1 HIS 40 HE1 HIS 40 -21.202 -7.879 -4.170 309 HE2 HIS 40 HE2 HIS 40 -20.380 -9.855 -2.835 310 H ASP 41 H ASP 41 -15.400 -5.695 -5.325 311 HA ASP 41 HA ASP 41 -16.469 -7.594 -7.305 312 HB2 ASP 41 HB2 ASP 41 -17.895 -5.529 -6.703 313 HB3 ASP 41 HB3 ASP 41 -16.683 -4.602 -7.583 314 H ILE 42 H ILE 42 -15.877 -5.711 -9.461 315 HA ILE 42 HA ILE 42 -14.339 -5.464 -11.068 316 HB ILE 42 HB ILE 42 -12.380 -4.225 -10.630 317 HG12 ILE 42 HG12 ILE 42 -12.619 -4.985 -7.705 318 HG13 ILE 42 HG13 ILE 42 -11.406 -5.596 -8.824 319 HG21 ILE 42 HG21 ILE 42 -14.490 -3.486 -8.611 320 HG22 ILE 42 HG22 ILE 42 -14.463 -3.035 -10.316 321 HG23 ILE 42 HG23 ILE 42 -13.231 -2.411 -9.220 322 HD11 ILE 42 HD11 ILE 42 -10.469 -3.870 -7.423 323 HD12 ILE 42 HD12 ILE 42 -11.725 -2.742 -7.929 324 HD13 ILE 42 HD13 ILE 42 -10.536 -3.317 -9.097 325 H LEU 43 H LEU 43 -14.404 -8.078 -9.495 326 HA LEU 43 HA LEU 43 -11.807 -9.217 -9.906 327 HB2 LEU 43 HB2 LEU 43 -13.444 -10.013 -8.194 328 HB3 LEU 43 HB3 LEU 43 -14.465 -10.597 -9.491 329 HG LEU 43 HG LEU 43 -11.657 -11.618 -9.292 330 HD11 LEU 43 HD11 LEU 43 -13.989 -12.611 -7.654 331 HD12 LEU 43 HD12 LEU 43 -12.549 -11.811 -7.025 332 HD13 LEU 43 HD13 LEU 43 -12.414 -13.393 -7.792 333 HD21 LEU 43 HD21 LEU 43 -14.271 -12.865 -10.143 334 HD22 LEU 43 HD22 LEU 43 -12.687 -13.634 -10.216 335 HD23 LEU 43 HD23 LEU 43 -13.032 -12.229 -11.225 336 H GLN 44 H GLN 44 -14.797 -8.950 -11.710 337 HA GLN 44 HA GLN 44 -14.076 -10.871 -13.716 338 HB2 GLN 44 HB2 GLN 44 -16.198 -8.715 -13.742 339 HB3 GLN 44 HB3 GLN 44 -16.052 -10.016 -14.917 340 HG2 GLN 44 HG2 GLN 44 -16.510 -11.663 -13.236 341 HG3 GLN 44 HG3 GLN 44 -16.487 -10.435 -11.974 342 HE21 GLN 44 HE21 GLN 44 -18.534 -10.876 -11.290 343 HE22 GLN 44 HE22 GLN 44 -19.946 -10.482 -12.210 344 H LEU 45 H LEU 45 -13.200 -7.673 -13.071 345 HA LEU 45 HA LEU 45 -12.603 -6.809 -15.718 346 HB2 LEU 45 HB2 LEU 45 -12.806 -5.378 -13.615 347 HB3 LEU 45 HB3 LEU 45 -11.221 -5.963 -13.166 348 HG LEU 45 HG LEU 45 -11.282 -3.671 -14.192 349 HD11 LEU 45 HD11 LEU 45 -9.218 -4.943 -14.112 350 HD12 LEU 45 HD12 LEU 45 -9.319 -4.005 -15.603 351 HD13 LEU 45 HD13 LEU 45 -9.633 -5.741 -15.629 352 HD21 LEU 45 HD21 LEU 45 -12.992 -4.093 -15.875 353 HD22 LEU 45 HD22 LEU 45 -11.908 -5.209 -16.708 354 HD23 LEU 45 HD23 LEU 45 -11.507 -3.494 -16.612 355 H LEU 46 H LEU 46 -10.799 -8.429 -13.148 356 HA LEU 46 HA LEU 46 -8.422 -8.735 -14.726 357 HB2 LEU 46 HB2 LEU 46 -9.278 -10.052 -12.148 358 HB3 LEU 46 HB3 LEU 46 -7.686 -10.202 -12.866 359 HG LEU 46 HG LEU 46 -8.915 -7.634 -11.863 360 HD11 LEU 46 HD11 LEU 46 -6.726 -9.356 -10.717 361 HD12 LEU 46 HD12 LEU 46 -8.344 -9.146 -10.049 362 HD13 LEU 46 HD13 LEU 46 -7.227 -7.782 -10.101 363 HD21 LEU 46 HD21 LEU 46 -7.405 -7.254 -13.735 364 HD22 LEU 46 HD22 LEU 46 -6.159 -8.217 -12.941 365 HD23 LEU 46 HD23 LEU 46 -6.682 -6.693 -12.227 366 H ALA 47 H ALA 47 -11.187 -10.729 -13.853 367 HA ALA 47 HA ALA 47 -10.296 -13.152 -14.977 368 HB1 ALA 47 HB1 ALA 47 -12.183 -13.020 -13.428 369 HB2 ALA 47 HB2 ALA 47 -12.652 -13.819 -14.929 370 HB3 ALA 47 HB3 ALA 47 -13.123 -12.144 -14.636 371 H GLY 48 H GLY 48 -12.209 -10.491 -16.334 372 HA2 GLY 48 HA2 GLY 48 -12.227 -11.648 -18.983 373 HA3 GLY 48 HA3 GLY 48 -12.828 -10.057 -18.529 374 H GLN 49 H GLN 49 -9.716 -11.646 -18.221 375 HA GLN 49 HA GLN 49 -8.368 -9.967 -20.103 376 HB2 GLN 49 HB2 GLN 49 -8.628 -8.435 -18.132 377 HB3 GLN 49 HB3 GLN 49 -7.730 -9.593 -17.163 378 HG2 GLN 49 HG2 GLN 49 -6.324 -7.748 -17.872 379 HG3 GLN 49 HG3 GLN 49 -5.771 -9.271 -18.567 380 HE21 GLN 49 HE21 GLN 49 -7.345 -6.234 -19.216 381 HE22 GLN 49 HE22 GLN 49 -7.155 -6.270 -20.934 382 H GLY 50 H GLY 50 -8.235 -12.107 -17.318 383 HA2 GLY 50 HA2 GLY 50 -7.398 -14.310 -17.440 384 HA3 GLY 50 HA3 GLY 50 -6.419 -13.840 -18.822 385 H LYS 51 H LYS 51 -6.567 -12.002 -15.837 386 HA LYS 51 HA LYS 51 -3.974 -13.057 -15.017 387 HB2 LYS 51 HB2 LYS 51 -4.466 -10.130 -15.583 388 HB3 LYS 51 HB3 LYS 51 -3.069 -10.749 -14.710 389 HG2 LYS 51 HG2 LYS 51 -2.523 -12.128 -16.714 390 HG3 LYS 51 HG3 LYS 51 -3.817 -11.295 -17.570 391 HD2 LYS 51 HD2 LYS 51 -2.661 -9.151 -17.175 392 HD3 LYS 51 HD3 LYS 51 -1.346 -10.031 -16.385 393 HE2 LYS 51 HE2 LYS 51 -0.996 -11.312 -18.449 394 HE3 LYS 51 HE3 LYS 51 -2.270 -10.385 -19.228 395 HZ1 LYS 51 HZ1 LYS 51 0.384 -9.431 -18.304 396 HZ2 LYS 51 HZ2 LYS 51 -0.872 -8.367 -18.712 397 HZ3 LYS 51 HZ3 LYS 51 -0.243 -9.418 -19.881 398 H SER 52 H SER 52 -3.362 -12.258 -12.829 399 HA SER 52 HA SER 52 -5.647 -11.445 -11.196 400 HB2 SER 52 HB2 SER 52 -4.999 -13.312 -9.574 401 HB3 SER 52 HB3 SER 52 -5.799 -13.821 -11.060 402 HG SER 52 HG SER 52 -3.150 -14.182 -10.228 403 HA PRO 53 HA PRO 53 -2.758 -9.087 -8.777 404 HB2 PRO 53 HB2 PRO 53 -3.247 -9.970 -6.198 405 HB3 PRO 53 HB3 PRO 53 -4.184 -8.732 -7.039 406 HG2 PRO 53 HG2 PRO 53 -4.771 -11.639 -6.682 407 HG3 PRO 53 HG3 PRO 53 -5.876 -10.254 -6.622 408 HD2 PRO 53 HD2 PRO 53 -5.752 -11.842 -8.774 409 HD3 PRO 53 HD3 PRO 53 -5.994 -10.089 -8.936 410 H SER 54 H SER 54 -0.669 -9.239 -8.161 411 HA SER 54 HA SER 54 0.456 -11.928 -8.131 412 HB2 SER 54 HB2 SER 54 2.640 -10.605 -8.383 413 HB3 SER 54 HB3 SER 54 1.504 -10.556 -9.733 414 HG SER 54 HG SER 54 2.415 -8.478 -9.029 415 H GLY 55 H GLY 55 -0.601 -9.865 -5.807 416 HA2 GLY 55 HA2 GLY 55 0.647 -11.243 -3.709 417 HA3 GLY 55 HA3 GLY 55 1.533 -9.751 -3.980 418 HA PRO 56 HA PRO 56 -1.933 -8.822 -1.053 419 HB2 PRO 56 HB2 PRO 56 -0.443 -7.514 0.780 420 HB3 PRO 56 HB3 PRO 56 -0.583 -9.277 0.762 421 HG2 PRO 56 HG2 PRO 56 1.619 -7.535 -0.278 422 HG3 PRO 56 HG3 PRO 56 1.728 -9.054 0.633 423 HD2 PRO 56 HD2 PRO 56 2.032 -8.900 -2.074 424 HD3 PRO 56 HD3 PRO 56 1.417 -10.342 -1.242 425 HA PRO 57 HA PRO 57 -2.489 -4.730 -2.606 426 HB2 PRO 57 HB2 PRO 57 -4.241 -3.729 -0.791 427 HB3 PRO 57 HB3 PRO 57 -4.696 -4.920 -2.016 428 HG2 PRO 57 HG2 PRO 57 -4.057 -5.323 0.877 429 HG3 PRO 57 HG3 PRO 57 -5.329 -6.072 -0.105 430 HD2 PRO 57 HD2 PRO 57 -2.997 -7.327 0.516 431 HD3 PRO 57 HD3 PRO 57 -3.902 -7.646 -0.978 432 H PHE 58 H PHE 58 -1.876 -2.628 -2.344 433 HA PHE 58 HA PHE 58 -0.468 -1.930 0.155 434 HB2 PHE 58 HB2 PHE 58 0.124 -0.596 -2.470 435 HB3 PHE 58 HB3 PHE 58 1.159 -0.771 -1.059 436 HD1 PHE 58 HD2 PHE 58 1.983 -3.161 -0.520 437 HD2 PHE 58 HD1 PHE 58 0.393 -1.990 -4.289 438 HE1 PHE 58 HE2 PHE 58 3.090 -5.085 -1.583 439 HE2 PHE 58 HE1 PHE 58 1.498 -3.907 -5.357 440 HZ PHE 58 HZ PHE 58 2.849 -5.460 -4.003 441 H ALA 59 H ALA 59 -1.544 -0.411 1.247 442 HA ALA 59 HA ALA 59 -3.684 1.007 -0.134 443 HB1 ALA 59 HB1 ALA 59 -3.065 0.801 2.812 444 HB2 ALA 59 HB2 ALA 59 -4.226 -0.187 1.926 445 HB3 ALA 59 HB3 ALA 59 -4.498 1.546 2.105 446 H ARG 60 H ARG 60 -3.196 2.895 -1.003 447 HA ARG 60 HA ARG 60 -1.135 4.559 0.283 448 HB2 ARG 60 HB2 ARG 60 -1.034 3.970 -2.224 449 HB3 ARG 60 HB3 ARG 60 -2.381 5.086 -2.413 450 HG2 ARG 60 HG2 ARG 60 -0.509 6.488 -0.905 451 HG3 ARG 60 HG3 ARG 60 0.438 5.632 -2.117 452 HD2 ARG 60 HD2 ARG 60 -1.869 7.506 -2.612 453 HD3 ARG 60 HD3 ARG 60 -0.167 7.821 -2.937 454 HE ARG 60 HE ARG 60 -1.861 5.889 -4.397 455 HH11 ARG 60 HH11 ARG 60 0.956 8.015 -4.264 456 HH12 ARG 60 HH12 ARG 60 1.317 7.806 -5.957 457 HH21 ARG 60 HH21 ARG 60 -1.389 5.669 -6.584 458 HH22 ARG 60 HH22 ARG 60 -0.006 6.467 -7.269 459 H TYR 61 H TYR 61 -1.751 6.300 1.423 460 HA TYR 61 HA TYR 61 -4.272 7.537 0.620 461 HB2 TYR 61 HB2 TYR 61 -4.526 8.182 3.121 462 HB3 TYR 61 HB3 TYR 61 -5.045 6.602 2.559 463 HD1 TYR 61 HD1 TYR 61 -3.726 4.598 3.128 464 HD2 TYR 61 HD2 TYR 61 -2.758 8.428 4.705 465 HE1 TYR 61 HE1 TYR 61 -2.405 3.526 4.900 466 HE2 TYR 61 HE2 TYR 61 -1.427 7.365 6.476 467 HH TYR 61 HH TYR 61 -0.846 3.895 6.506 468 H PHE 62 H PHE 62 -4.378 9.595 0.447 469 HA PHE 62 HA PHE 62 -1.985 11.212 1.028 470 HB2 PHE 62 HB2 PHE 62 -2.342 10.803 -1.388 471 HB3 PHE 62 HB3 PHE 62 -3.961 11.475 -1.260 472 HD1 PHE 62 HD2 PHE 62 -0.433 12.443 -0.494 473 HD2 PHE 62 HD1 PHE 62 -4.256 13.648 -1.929 474 HE1 PHE 62 HE2 PHE 62 0.464 14.678 -0.993 475 HE2 PHE 62 HE1 PHE 62 -3.364 15.885 -2.428 476 HZ PHE 62 HZ PHE 62 -1.004 16.403 -1.958 477 H GLY 63 H GLY 63 -2.638 13.637 1.075 478 HA2 GLY 63 HA2 GLY 63 -4.146 15.287 1.871 479 HA3 GLY 63 HA3 GLY 63 -5.204 13.999 2.446 480 H MET 64 H MET 64 -4.673 12.879 4.351 481 HA MET 64 HA MET 64 -3.867 12.587 6.459 482 HB2 MET 64 HB2 MET 64 -1.354 13.446 5.021 483 HB3 MET 64 HB3 MET 64 -1.359 12.849 6.673 484 HG2 MET 64 HG2 MET 64 -2.057 10.705 6.009 485 HG3 MET 64 HG3 MET 64 -2.494 11.258 4.395 486 HE1 MET 64 HE1 MET 64 -0.047 13.030 3.511 487 HE2 MET 64 HE2 MET 64 -0.772 11.793 2.485 488 HE3 MET 64 HE3 MET 64 0.976 11.832 2.718 489 H SER 65 H SER 65 -4.962 15.254 5.794 490 HA SER 65 HA SER 65 -3.265 17.051 7.333 491 HB2 SER 65 HB2 SER 65 -5.787 17.675 5.787 492 HB3 SER 65 HB3 SER 65 -4.645 18.843 6.456 493 HG SER 65 HG SER 65 -3.364 17.038 4.907 494 H ALA 66 H ALA 66 -6.834 16.655 7.214 495 HA ALA 66 HA ALA 66 -6.991 16.153 10.026 496 HB1 ALA 66 HB1 ALA 66 -8.021 18.245 10.723 497 HB2 ALA 66 HB2 ALA 66 -7.789 18.910 9.105 498 HB3 ALA 66 HB3 ALA 66 -6.392 18.517 10.107 499 H GLY 67 H GLY 67 -8.389 16.238 6.961 500 HA2 GLY 67 HA2 GLY 67 -10.926 15.327 8.097 501 HA3 GLY 67 HA3 GLY 67 -10.987 16.717 7.025 502 H THR 68 H THR 68 -10.116 16.419 4.838 503 HA THR 68 HA THR 68 -11.301 14.170 3.613 504 HB THR 68 HB THR 68 -9.281 16.064 2.399 505 HG1 THR 68 HG1 THR 68 -10.932 17.344 3.110 506 HG21 THR 68 HG21 THR 68 -11.450 14.382 1.143 507 HG22 THR 68 HG22 THR 68 -9.717 14.065 1.053 508 HG23 THR 68 HG23 THR 68 -10.391 15.505 0.290 509 H PHE 69 H PHE 69 -10.538 12.209 3.258 510 HA PHE 69 HA PHE 69 -7.625 11.774 3.377 511 HB2 PHE 69 HB2 PHE 69 -9.396 10.865 5.192 512 HB3 PHE 69 HB3 PHE 69 -9.439 9.537 4.047 513 HD1 PHE 69 HD2 PHE 69 -6.874 11.702 5.678 514 HD2 PHE 69 HD1 PHE 69 -8.063 7.783 4.531 515 HE1 PHE 69 HE2 PHE 69 -4.840 10.787 6.715 516 HE2 PHE 69 HE1 PHE 69 -6.033 6.858 5.567 517 HZ PHE 69 HZ PHE 69 -4.419 8.362 6.663 518 H GLU 70 H GLU 70 -6.891 11.194 1.474 519 HA GLU 70 HA GLU 70 -8.776 10.064 -0.478 520 HB2 GLU 70 HB2 GLU 70 -7.621 12.178 -1.080 521 HB3 GLU 70 HB3 GLU 70 -6.078 11.345 -0.957 522 HG2 GLU 70 HG2 GLU 70 -6.520 10.023 -2.842 523 HG3 GLU 70 HG3 GLU 70 -8.235 10.435 -2.826 524 H VAL 71 H VAL 71 -8.687 7.935 -0.771 525 HA VAL 71 HA VAL 71 -6.173 6.576 -0.063 526 HB VAL 71 HB VAL 71 -7.554 4.691 0.796 527 HG11 VAL 71 HG11 VAL 71 -6.570 6.339 2.312 528 HG12 VAL 71 HG12 VAL 71 -8.125 5.763 2.915 529 HG13 VAL 71 HG13 VAL 71 -8.008 7.349 2.152 530 HG21 VAL 71 HG21 VAL 71 -9.916 5.133 1.347 531 HG22 VAL 71 HG22 VAL 71 -9.623 5.141 -0.392 532 HG23 VAL 71 HG23 VAL 71 -9.816 6.664 0.476 533 H GLU 72 H GLU 72 -5.580 4.787 -1.155 534 HA GLU 72 HA GLU 72 -7.225 3.905 -3.428 535 HB2 GLU 72 HB2 GLU 72 -4.209 4.121 -3.468 536 HB3 GLU 72 HB3 GLU 72 -5.262 3.699 -4.811 537 HG2 GLU 72 HG2 GLU 72 -6.219 5.972 -4.730 538 HG3 GLU 72 HG3 GLU 72 -5.069 6.378 -3.456 539 H PHE 73 H PHE 73 -7.631 1.793 -3.329 540 HA PHE 73 HA PHE 73 -6.660 0.149 -1.257 541 HB2 PHE 73 HB2 PHE 73 -8.847 -0.157 -2.433 542 HB3 PHE 73 HB3 PHE 73 -7.966 -0.752 -3.835 543 HD1 PHE 73 HD2 PHE 73 -8.757 -1.429 -0.301 544 HD2 PHE 73 HD1 PHE 73 -7.210 -2.987 -3.942 545 HE1 PHE 73 HE2 PHE 73 -8.805 -3.696 0.651 546 HE2 PHE 73 HE1 PHE 73 -7.258 -5.256 -2.998 547 HZ PHE 73 HZ PHE 73 -8.055 -5.613 -0.696 548 H GLY 74 H GLY 74 -6.127 -0.209 -4.767 549 HA2 GLY 74 HA2 GLY 74 -4.242 -0.649 -5.974 550 HA3 GLY 74 HA3 GLY 74 -3.340 -0.086 -4.582 551 H PHE 75 H PHE 75 -4.689 -2.925 -6.185 552 HA PHE 75 HA PHE 75 -2.809 -4.518 -4.577 553 HB2 PHE 75 HB2 PHE 75 -4.086 -6.513 -5.545 554 HB3 PHE 75 HB3 PHE 75 -4.910 -5.547 -4.332 555 HD1 PHE 75 HD2 PHE 75 -4.817 -6.503 -7.864 556 HD2 PHE 75 HD1 PHE 75 -6.828 -4.215 -4.895 557 HE1 PHE 75 HE2 PHE 75 -6.740 -6.231 -9.375 558 HE2 PHE 75 HE1 PHE 75 -8.755 -3.946 -6.394 559 HZ PHE 75 HZ PHE 75 -8.709 -4.951 -8.645 560 HA PRO 76 HA PRO 76 -0.121 -4.576 -7.950 561 HB2 PRO 76 HB2 PRO 76 1.310 -6.823 -7.478 562 HB3 PRO 76 HB3 PRO 76 1.444 -5.372 -6.477 563 HG2 PRO 76 HG2 PRO 76 -0.106 -7.881 -5.978 564 HG3 PRO 76 HG3 PRO 76 0.881 -6.930 -4.852 565 HD2 PRO 76 HD2 PRO 76 -1.828 -6.761 -4.942 566 HD3 PRO 76 HD3 PRO 76 -0.792 -5.394 -4.487 567 H VAL 77 H VAL 77 0.025 -5.207 -10.006 568 HA VAL 77 HA VAL 77 -1.054 -7.826 -10.770 569 HB VAL 77 HB VAL 77 -1.982 -6.806 -12.862 570 HG11 VAL 77 HG11 VAL 77 -4.022 -5.926 -11.822 571 HG12 VAL 77 HG12 VAL 77 -3.181 -5.829 -10.274 572 HG13 VAL 77 HG13 VAL 77 -3.460 -7.398 -11.030 573 HG21 VAL 77 HG21 VAL 77 -2.447 -4.407 -12.905 574 HG22 VAL 77 HG22 VAL 77 -0.711 -4.719 -12.855 575 HG23 VAL 77 HG23 VAL 77 -1.559 -4.202 -11.396 576 H GLU 78 H GLU 78 -0.379 -8.292 -13.136 577 HA GLU 78 HA GLU 78 2.484 -8.044 -13.156 578 HB2 GLU 78 HB2 GLU 78 1.353 -10.149 -13.750 579 HB3 GLU 78 HB3 GLU 78 0.620 -9.363 -15.139 580 HG2 GLU 78 HG2 GLU 78 3.579 -9.330 -14.910 581 HG3 GLU 78 HG3 GLU 78 2.787 -10.841 -15.350 582 H GLY 79 H GLY 79 -0.046 -7.242 -15.532 583 HA2 GLY 79 HA2 GLY 79 0.588 -4.699 -16.177 584 HA3 GLY 79 HA3 GLY 79 1.793 -5.631 -17.061 585 H GLY 80 H GLY 80 0.229 -4.187 -18.623 586 HA2 GLY 80 HA2 GLY 80 -1.214 -4.308 -20.409 587 HA3 GLY 80 HA3 GLY 80 -1.072 -6.056 -20.277 588 H VAL 81 H VAL 81 -2.259 -4.010 -17.706 589 HA VAL 81 HA VAL 81 -4.847 -5.396 -17.919 590 HB VAL 81 HB VAL 81 -3.898 -3.898 -15.487 591 HG11 VAL 81 HG11 VAL 81 -6.250 -4.478 -15.556 592 HG12 VAL 81 HG12 VAL 81 -5.423 -5.433 -14.324 593 HG13 VAL 81 HG13 VAL 81 -5.843 -6.165 -15.873 594 HG21 VAL 81 HG21 VAL 81 -2.157 -5.533 -16.021 595 HG22 VAL 81 HG22 VAL 81 -3.374 -6.807 -16.094 596 HG23 VAL 81 HG23 VAL 81 -3.040 -5.994 -14.566 597 H GLU 82 H GLU 82 -6.768 -4.167 -17.606 598 HA GLU 82 HA GLU 82 -6.443 -1.415 -18.571 599 HB2 GLU 82 HB2 GLU 82 -8.711 -1.657 -19.500 600 HB3 GLU 82 HB3 GLU 82 -7.620 -2.886 -20.125 601 HG2 GLU 82 HG2 GLU 82 -8.551 -4.497 -18.512 602 HG3 GLU 82 HG3 GLU 82 -9.676 -3.258 -17.958 603 H GLY 83 H GLY 83 -8.002 0.173 -17.833 604 HA2 GLY 83 HA2 GLY 83 -9.177 -0.471 -15.199 605 HA3 GLY 83 HA3 GLY 83 -8.476 1.095 -15.582 606 H SER 84 H SER 84 -11.046 0.893 -14.615 607 HA SER 84 HA SER 84 -12.565 2.025 -16.804 608 HB2 SER 84 HB2 SER 84 -13.041 -0.426 -16.913 609 HB3 SER 84 HB3 SER 84 -13.660 -0.345 -15.263 610 HG SER 84 HG SER 84 -14.964 0.140 -17.512 611 H GLY 85 H GLY 85 -13.006 3.925 -15.893 612 HA2 GLY 85 HA2 GLY 85 -14.166 5.401 -14.542 613 HA3 GLY 85 HA3 GLY 85 -14.777 4.031 -13.627 614 H ARG 86 H ARG 86 -14.115 3.895 -11.600 615 HA ARG 86 HA ARG 86 -11.872 5.520 -10.721 616 HB2 ARG 86 HB2 ARG 86 -13.918 3.858 -9.267 617 HB3 ARG 86 HB3 ARG 86 -12.552 4.598 -8.443 618 HG2 ARG 86 HG2 ARG 86 -13.302 6.801 -9.179 619 HG3 ARG 86 HG3 ARG 86 -14.674 6.053 -10.001 620 HD2 ARG 86 HD2 ARG 86 -15.583 5.280 -7.944 621 HD3 ARG 86 HD3 ARG 86 -14.129 5.743 -7.061 622 HE ARG 86 HE ARG 86 -15.358 7.970 -8.366 623 HH11 ARG 86 HH11 ARG 86 -15.557 5.883 -5.557 624 HH12 ARG 86 HH12 ARG 86 -16.263 7.105 -4.539 625 HH21 ARG 86 HH21 ARG 86 -16.303 9.577 -7.034 626 HH22 ARG 86 HH22 ARG 86 -16.714 9.197 -5.393 627 H VAL 87 H VAL 87 -12.414 2.375 -11.761 628 HA VAL 87 HA VAL 87 -10.267 1.118 -10.306 629 HB VAL 87 HB VAL 87 -11.491 0.157 -12.895 630 HG11 VAL 87 HG11 VAL 87 -9.463 -0.988 -12.185 631 HG12 VAL 87 HG12 VAL 87 -10.864 -2.053 -12.070 632 HG13 VAL 87 HG13 VAL 87 -10.191 -1.320 -10.614 633 HG21 VAL 87 HG21 VAL 87 -13.312 0.613 -11.351 634 HG22 VAL 87 HG22 VAL 87 -12.507 -0.337 -10.101 635 HG23 VAL 87 HG23 VAL 87 -13.096 -1.126 -11.565 636 H VAL 88 H VAL 88 -8.384 2.282 -10.681 637 HA VAL 88 HA VAL 88 -7.673 2.698 -13.507 638 HB VAL 88 HB VAL 88 -6.141 4.486 -12.721 639 HG11 VAL 88 HG11 VAL 88 -9.042 4.833 -11.970 640 HG12 VAL 88 HG12 VAL 88 -8.348 5.040 -13.579 641 HG13 VAL 88 HG13 VAL 88 -7.898 6.141 -12.276 642 HG21 VAL 88 HG21 VAL 88 -6.436 5.398 -10.460 643 HG22 VAL 88 HG22 VAL 88 -5.808 3.750 -10.425 644 HG23 VAL 88 HG23 VAL 88 -7.508 4.055 -10.065 645 H THR 89 H THR 89 -5.894 1.860 -14.312 646 HA THR 89 HA THR 89 -4.211 0.154 -12.700 647 HB THR 89 HB THR 89 -3.363 0.778 -15.450 648 HG1 THR 89 HG1 THR 89 -5.833 -0.603 -15.037 649 HG21 THR 89 HG21 THR 89 -4.083 -1.807 -14.062 650 HG22 THR 89 HG22 THR 89 -2.466 -1.108 -14.158 651 HG23 THR 89 HG23 THR 89 -3.279 -1.657 -15.624 652 H GLY 90 H GLY 90 -2.031 0.536 -12.224 653 HA2 GLY 90 HA2 GLY 90 -0.625 2.825 -13.199 654 HA3 GLY 90 HA3 GLY 90 -1.262 3.105 -11.585 655 H LEU 91 H LEU 91 1.020 3.353 -11.025 656 HA LEU 91 HA LEU 91 2.022 0.846 -10.016 657 HB2 LEU 91 HB2 LEU 91 4.251 0.992 -10.928 658 HB3 LEU 91 HB3 LEU 91 3.078 0.876 -12.211 659 HG LEU 91 HG LEU 91 4.734 2.342 -12.983 660 HD11 LEU 91 HD11 LEU 91 2.474 4.047 -11.987 661 HD12 LEU 91 HD12 LEU 91 2.549 3.161 -13.512 662 HD13 LEU 91 HD13 LEU 91 3.644 4.514 -13.222 663 HD21 LEU 91 HD21 LEU 91 5.586 4.267 -11.788 664 HD22 LEU 91 HD22 LEU 91 5.843 2.788 -10.863 665 HD23 LEU 91 HD23 LEU 91 4.547 3.896 -10.413 666 H THR 92 H THR 92 3.847 1.139 -8.528 667 HA THR 92 HA THR 92 3.292 3.396 -6.820 668 HB THR 92 HB THR 92 5.002 2.183 -5.340 669 HG1 THR 92 HG1 THR 92 5.998 0.560 -6.257 670 HG21 THR 92 HG21 THR 92 2.572 1.985 -5.023 671 HG22 THR 92 HG22 THR 92 3.392 0.459 -4.694 672 HG23 THR 92 HG23 THR 92 2.524 0.684 -6.214 673 HA PRO 93 HA PRO 93 6.958 5.660 -8.001 674 HB2 PRO 93 HB2 PRO 93 6.998 7.457 -5.992 675 HB3 PRO 93 HB3 PRO 93 5.794 7.519 -7.284 676 HG2 PRO 93 HG2 PRO 93 5.527 6.504 -4.490 677 HG3 PRO 93 HG3 PRO 93 4.369 7.418 -5.470 678 HD2 PRO 93 HD2 PRO 93 4.272 4.687 -5.084 679 HD3 PRO 93 HD3 PRO 93 3.544 5.536 -6.461 680 H SER 94 H SER 94 9.103 5.442 -7.609 681 HA SER 94 HA SER 94 9.907 3.833 -5.341 682 HB2 SER 94 HB2 SER 94 12.166 3.967 -6.532 683 HB3 SER 94 HB3 SER 94 10.866 3.160 -7.406 684 HG SER 94 HG SER 94 12.072 5.645 -7.879 685 H GLY 95 H GLY 95 10.983 4.556 -3.579 686 HA2 GLY 95 HA2 GLY 95 12.617 6.838 -3.469 687 HA3 GLY 95 HA3 GLY 95 11.002 7.295 -2.950 688 H LYS 96 H LYS 96 13.213 7.475 -1.282 689 HA LYS 96 HA LYS 96 13.251 5.166 0.480 690 HB2 LYS 96 HB2 LYS 96 15.155 6.963 -0.191 691 HB3 LYS 96 HB3 LYS 96 14.546 7.714 1.274 692 HG2 LYS 96 HG2 LYS 96 16.238 6.428 2.113 693 HG3 LYS 96 HG3 LYS 96 14.874 5.322 2.282 694 HD2 LYS 96 HD2 LYS 96 16.838 4.194 1.343 695 HD3 LYS 96 HD3 LYS 96 15.501 4.220 0.192 696 HE2 LYS 96 HE2 LYS 96 16.501 6.033 -1.020 697 HE3 LYS 96 HE3 LYS 96 17.753 6.224 0.205 698 HZ1 LYS 96 HZ1 LYS 96 18.433 5.031 -1.867 699 HZ2 LYS 96 HZ2 LYS 96 17.432 3.741 -1.398 700 HZ3 LYS 96 HZ3 LYS 96 18.746 4.193 -0.426 701 H ALA 97 H ALA 97 11.751 4.951 2.043 702 HA ALA 97 HA ALA 97 10.695 7.375 3.334 703 HB1 ALA 97 HB1 ALA 97 9.103 6.725 1.589 704 HB2 ALA 97 HB2 ALA 97 8.419 6.523 3.203 705 HB3 ALA 97 HB3 ALA 97 8.981 5.116 2.300 706 H ALA 98 H ALA 98 9.614 6.919 5.392 707 HA ALA 98 HA ALA 98 11.088 4.963 6.908 708 HB1 ALA 98 HB1 ALA 98 8.894 6.853 7.766 709 HB2 ALA 98 HB2 ALA 98 10.628 7.160 7.865 710 HB3 ALA 98 HB3 ALA 98 9.901 5.886 8.845 711 H SER 99 H SER 99 10.434 2.979 7.475 712 HA SER 99 HA SER 99 7.599 2.291 7.233 713 HB2 SER 99 HB2 SER 99 8.758 1.772 5.066 714 HB3 SER 99 HB3 SER 99 9.795 0.649 5.947 715 HG SER 99 HG SER 99 6.967 0.475 5.997 716 H SER 100 H SER 100 7.091 0.195 8.206 717 HA SER 100 HA SER 100 9.039 -0.979 9.991 718 HB2 SER 100 HB2 SER 100 7.463 -0.670 11.967 719 HB3 SER 100 HB3 SER 100 8.304 0.785 11.427 720 HG SER 100 HG SER 100 6.286 1.035 10.061 721 H LEU 101 H LEU 101 8.015 -2.890 11.171 722 HA LEU 101 HA LEU 101 6.125 -4.162 9.324 723 HB2 LEU 101 HB2 LEU 101 8.002 -5.485 11.279 724 HB3 LEU 101 HB3 LEU 101 7.011 -6.284 10.076 725 HG LEU 101 HG LEU 101 9.263 -4.381 9.419 726 HD11 LEU 101 HD11 LEU 101 10.517 -6.377 8.770 727 HD12 LEU 101 HD12 LEU 101 9.206 -7.398 9.367 728 HD13 LEU 101 HD13 LEU 101 10.125 -6.393 10.490 729 HD21 LEU 101 HD21 LEU 101 9.016 -5.307 7.157 730 HD22 LEU 101 HD22 LEU 101 7.555 -4.483 7.698 731 HD23 LEU 101 HD23 LEU 101 7.626 -6.245 7.704 732 H TYR 102 H TYR 102 4.143 -4.371 9.984 733 HA TYR 102 HA TYR 102 3.480 -4.307 12.826 734 HB2 TYR 102 HB2 TYR 102 2.244 -2.880 11.229 735 HB3 TYR 102 HB3 TYR 102 1.724 -4.314 10.356 736 HD1 TYR 102 HD1 TYR 102 1.381 -2.453 13.534 737 HD2 TYR 102 HD2 TYR 102 -0.150 -5.567 11.073 738 HE1 TYR 102 HE1 TYR 102 -0.641 -2.551 14.928 739 HE2 TYR 102 HE2 TYR 102 -2.172 -5.679 12.465 740 HH TYR 102 HH TYR 102 -2.849 -5.106 14.783 741 H ILE 103 H ILE 103 3.361 -6.167 13.904 742 HA ILE 103 HA ILE 103 2.574 -8.612 12.465 743 HB ILE 103 HB ILE 103 3.829 -9.758 14.421 744 HG12 ILE 103 HG12 ILE 103 5.181 -7.052 14.406 745 HG13 ILE 103 HG13 ILE 103 4.235 -7.721 15.729 746 HG21 ILE 103 HG21 ILE 103 5.916 -9.747 13.136 747 HG22 ILE 103 HG22 ILE 103 5.312 -8.384 12.195 748 HG23 ILE 103 HG23 ILE 103 4.496 -9.945 12.108 749 HD11 ILE 103 HD11 ILE 103 6.818 -8.843 14.671 750 HD12 ILE 103 HD12 ILE 103 5.877 -9.499 16.012 751 HD13 ILE 103 HD13 ILE 103 6.619 -7.904 16.151 752 H GLY 104 H GLY 104 1.181 -10.040 13.470 753 HA2 GLY 104 HA2 GLY 104 0.036 -10.815 15.464 754 HA3 GLY 104 HA3 GLY 104 -0.001 -9.148 16.023 755 HA PRO 105 HA PRO 105 -4.157 -9.829 14.121 756 HB2 PRO 105 HB2 PRO 105 -5.001 -8.135 16.362 757 HB3 PRO 105 HB3 PRO 105 -5.587 -9.732 15.889 758 HG2 PRO 105 HG2 PRO 105 -4.118 -9.341 18.118 759 HG3 PRO 105 HG3 PRO 105 -4.016 -10.833 17.165 760 HD2 PRO 105 HD2 PRO 105 -2.158 -8.484 17.215 761 HD3 PRO 105 HD3 PRO 105 -1.780 -10.220 17.149 762 H TYR 106 H TYR 106 -5.243 -8.296 12.874 763 HA TYR 106 HA TYR 106 -3.749 -5.791 12.594 764 HB2 TYR 106 HB2 TYR 106 -4.328 -7.480 10.673 765 HB3 TYR 106 HB3 TYR 106 -5.902 -6.695 10.706 766 HD1 TYR 106 HD2 TYR 106 -6.074 -4.260 10.139 767 HD2 TYR 106 HD1 TYR 106 -2.434 -6.423 9.721 768 HE1 TYR 106 HE2 TYR 106 -5.196 -2.489 8.673 769 HE2 TYR 106 HE1 TYR 106 -1.551 -4.662 8.257 770 HH TYR 106 HH TYR 106 -2.986 -1.616 7.932 771 H GLY 107 H GLY 107 -4.601 -3.844 13.037 772 HA2 GLY 107 HA2 GLY 107 -7.261 -3.077 12.847 773 HA3 GLY 107 HA3 GLY 107 -7.022 -3.639 14.498 774 H GLU 108 H GLU 108 -5.000 -2.693 15.573 775 HA GLU 108 HA GLU 108 -5.196 0.184 15.227 776 HB2 GLU 108 HB2 GLU 108 -5.447 -0.692 17.486 777 HB3 GLU 108 HB3 GLU 108 -3.865 -1.453 17.391 778 HG2 GLU 108 HG2 GLU 108 -2.772 0.665 17.349 779 HG3 GLU 108 HG3 GLU 108 -4.309 1.513 17.185 780 H ILE 109 H ILE 109 -4.052 0.291 13.249 781 HA ILE 109 HA ILE 109 -1.275 -0.395 13.103 782 HB ILE 109 HB ILE 109 -2.846 -0.141 11.129 783 HG12 ILE 109 HG12 ILE 109 -1.088 1.038 9.693 784 HG13 ILE 109 HG13 ILE 109 -0.177 1.261 11.183 785 HG21 ILE 109 HG21 ILE 109 -2.388 2.785 11.661 786 HG22 ILE 109 HG22 ILE 109 -3.927 1.924 11.719 787 HG23 ILE 109 HG23 ILE 109 -3.086 2.127 10.181 788 HD11 ILE 109 HD11 ILE 109 -0.126 -1.166 11.498 789 HD12 ILE 109 HD12 ILE 109 0.610 -0.681 9.970 790 HD13 ILE 109 HD13 ILE 109 -1.012 -1.372 9.988 791 H GLU 110 H GLU 110 -3.051 2.092 14.510 792 HA GLU 110 HA GLU 110 -1.471 4.368 14.241 793 HB2 GLU 110 HB2 GLU 110 -3.762 4.305 15.163 794 HB3 GLU 110 HB3 GLU 110 -3.148 3.509 16.604 795 HG2 GLU 110 HG2 GLU 110 -1.742 5.514 17.031 796 HG3 GLU 110 HG3 GLU 110 -2.543 6.304 15.672 797 H ALA 111 H ALA 111 -1.256 1.700 16.540 798 HA ALA 111 HA ALA 111 0.441 2.792 18.434 799 HB1 ALA 111 HB1 ALA 111 -0.694 0.644 18.706 800 HB2 ALA 111 HB2 ALA 111 1.037 0.500 19.015 801 HB3 ALA 111 HB3 ALA 111 0.364 -0.072 17.489 802 H VAL 112 H VAL 112 1.314 1.055 15.455 803 HA VAL 112 HA VAL 112 4.127 1.501 15.954 804 HB VAL 112 HB VAL 112 3.392 -0.617 14.943 805 HG11 VAL 112 HG11 VAL 112 2.579 1.082 12.591 806 HG12 VAL 112 HG12 VAL 112 1.513 0.140 13.634 807 HG13 VAL 112 HG13 VAL 112 2.673 -0.679 12.589 808 HG21 VAL 112 HG21 VAL 112 5.661 0.153 14.547 809 HG22 VAL 112 HG22 VAL 112 5.125 1.053 13.128 810 HG23 VAL 112 HG23 VAL 112 5.045 -0.710 13.137 811 H TYR 113 H TYR 113 1.565 2.889 14.055 812 HA TYR 113 HA TYR 113 3.047 4.277 12.127 813 HB2 TYR 113 HB2 TYR 113 0.511 3.892 12.290 814 HB3 TYR 113 HB3 TYR 113 0.485 5.291 13.354 815 HD1 TYR 113 HD1 TYR 113 1.249 4.158 9.924 816 HD2 TYR 113 HD2 TYR 113 0.575 7.501 12.470 817 HE1 TYR 113 HE1 TYR 113 1.073 5.614 7.953 818 HE2 TYR 113 HE2 TYR 113 0.398 8.967 10.502 819 HH TYR 113 HH TYR 113 0.060 7.762 7.344 820 H ASP 114 H ASP 114 2.123 5.121 15.413 821 HA ASP 114 HA ASP 114 2.962 7.824 15.350 822 HB2 ASP 114 HB2 ASP 114 1.416 6.917 17.050 823 HB3 ASP 114 HB3 ASP 114 2.726 5.948 17.715 824 H ALA 115 H ALA 115 4.634 4.820 15.936 825 HA ALA 115 HA ALA 115 6.845 5.829 17.356 826 HB1 ALA 115 HB1 ALA 115 7.912 3.713 16.859 827 HB2 ALA 115 HB2 ALA 115 6.707 3.379 15.615 828 HB3 ALA 115 HB3 ALA 115 6.225 3.464 17.308 829 H LEU 116 H LEU 116 6.246 5.456 13.897 830 HA LEU 116 HA LEU 116 8.840 5.887 12.953 831 HB2 LEU 116 HB2 LEU 116 6.131 6.366 11.776 832 HB3 LEU 116 HB3 LEU 116 7.559 6.924 10.928 833 HG LEU 116 HG LEU 116 6.877 4.796 10.033 834 HD11 LEU 116 HD11 LEU 116 8.926 3.488 10.385 835 HD12 LEU 116 HD12 LEU 116 9.346 4.534 11.743 836 HD13 LEU 116 HD13 LEU 116 9.259 5.198 10.111 837 HD21 LEU 116 HD21 LEU 116 6.827 2.768 11.387 838 HD22 LEU 116 HD22 LEU 116 5.641 3.946 11.949 839 HD23 LEU 116 HD23 LEU 116 7.150 3.721 12.834 840 H MET 117 H MET 117 6.368 8.176 13.962 841 HA MET 117 HA MET 117 7.522 10.525 13.036 842 HB2 MET 117 HB2 MET 117 5.256 10.459 13.892 843 HB3 MET 117 HB3 MET 117 5.838 10.015 15.492 844 HG2 MET 117 HG2 MET 117 5.203 12.369 15.346 845 HG3 MET 117 HG3 MET 117 6.908 12.157 15.741 846 HE1 MET 117 HE1 MET 117 8.010 14.264 15.056 847 HE2 MET 117 HE2 MET 117 6.371 14.914 15.028 848 HE3 MET 117 HE3 MET 117 7.482 15.266 13.705 849 H LYS 118 H LYS 118 8.089 8.695 16.000 850 HA LYS 118 HA LYS 118 9.766 10.649 17.209 851 HB2 LYS 118 HB2 LYS 118 8.723 8.055 17.875 852 HB3 LYS 118 HB3 LYS 118 10.445 8.113 18.232 853 HG2 LYS 118 HG2 LYS 118 8.395 10.086 19.221 854 HG3 LYS 118 HG3 LYS 118 9.069 8.750 20.158 855 HD2 LYS 118 HD2 LYS 118 11.328 9.735 19.831 856 HD3 LYS 118 HD3 LYS 118 10.570 11.116 19.034 857 HE2 LYS 118 HE2 LYS 118 9.354 11.656 21.056 858 HE3 LYS 118 HE3 LYS 118 9.989 10.217 21.853 859 HZ1 LYS 118 HZ1 LYS 118 12.239 11.163 21.567 860 HZ2 LYS 118 HZ2 LYS 118 11.239 12.105 22.561 861 HZ3 LYS 118 HZ3 LYS 118 11.538 12.590 20.965 862 H TRP 119 H TRP 119 10.317 7.988 15.005 863 HA TRP 119 HA TRP 119 13.167 8.008 15.323 864 HB2 TRP 119 HB2 TRP 119 12.009 5.977 14.568 865 HB3 TRP 119 HB3 TRP 119 11.484 6.815 13.109 866 HD1 TRP 119 HD1 TRP 119 14.819 5.832 14.829 867 HE1 TRP 119 HE1 TRP 119 16.550 5.335 12.990 868 HE3 TRP 119 HE3 TRP 119 11.983 6.960 10.726 869 HZ2 TRP 119 HZ2 TRP 119 16.688 5.402 10.175 870 HZ3 TRP 119 HZ3 TRP 119 12.994 6.715 8.494 871 HH2 TRP 119 HH2 TRP 119 15.297 5.953 8.227 872 H VAL 120 H VAL 120 10.938 9.182 12.804 873 HA VAL 120 HA VAL 120 12.960 10.267 11.154 874 HB VAL 120 HB VAL 120 10.653 9.771 10.391 875 HG11 VAL 120 HG11 VAL 120 8.878 11.428 10.734 876 HG12 VAL 120 HG12 VAL 120 9.917 12.276 11.879 877 HG13 VAL 120 HG13 VAL 120 9.365 10.639 12.234 878 HG21 VAL 120 HG21 VAL 120 10.469 11.699 8.885 879 HG22 VAL 120 HG22 VAL 120 12.135 11.142 9.044 880 HG23 VAL 120 HG23 VAL 120 11.603 12.588 9.903 881 H ASP 121 H ASP 121 11.180 11.478 13.864 882 HA ASP 121 HA ASP 121 11.661 14.174 13.893 883 HB2 ASP 121 HB2 ASP 121 10.416 13.046 15.656 884 HB3 ASP 121 HB3 ASP 121 11.872 12.221 16.196 885 H ASP 122 H ASP 122 13.904 11.602 14.840 886 HA ASP 122 HA ASP 122 16.009 13.484 15.439 887 HB2 ASP 122 HB2 ASP 122 15.863 11.451 16.764 888 HB3 ASP 122 HB3 ASP 122 16.020 10.463 15.314 889 H ASN 123 H ASN 123 15.282 11.148 12.880 890 HA ASN 123 HA ASN 123 17.789 11.330 11.587 891 HB2 ASN 123 HB2 ASN 123 16.075 9.472 11.376 892 HB3 ASN 123 HB3 ASN 123 15.173 10.538 10.306 893 HD21 ASN 123 HD21 ASN 123 18.050 8.658 10.717 894 HD22 ASN 123 HD22 ASN 123 18.526 8.654 9.059 895 H GLY 124 H GLY 124 14.724 13.017 11.120 896 HA2 GLY 124 HA2 GLY 124 14.261 15.003 10.072 897 HA3 GLY 124 HA3 GLY 124 15.991 15.295 10.024 898 H PHE 125 H PHE 125 14.159 12.667 8.482 899 HA PHE 125 HA PHE 125 15.255 13.515 5.904 900 HB2 PHE 125 HB2 PHE 125 15.316 11.085 6.742 901 HB3 PHE 125 HB3 PHE 125 13.594 11.045 6.410 902 HD1 PHE 125 HD1 PHE 125 16.887 11.676 4.835 903 HD2 PHE 125 HD2 PHE 125 12.821 10.561 4.261 904 HE1 PHE 125 HE1 PHE 125 17.377 11.117 2.491 905 HE2 PHE 125 HE2 PHE 125 13.303 9.998 1.914 906 HZ PHE 125 HZ PHE 125 15.581 10.277 1.025 907 H ASP 126 H ASP 126 13.680 13.362 4.002 908 HA ASP 126 HA ASP 126 10.923 13.893 4.663 909 HB2 ASP 126 HB2 ASP 126 10.927 16.124 4.593 910 HB3 ASP 126 HB3 ASP 126 12.685 16.082 4.535 911 H LEU 127 H LEU 127 9.638 13.192 3.130 912 HA LEU 127 HA LEU 127 10.273 13.780 0.356 913 HB2 LEU 127 HB2 LEU 127 9.517 11.047 1.362 914 HB3 LEU 127 HB3 LEU 127 9.113 11.558 -0.262 915 HG LEU 127 HG LEU 127 11.883 11.217 0.887 916 HD11 LEU 127 HD11 LEU 127 10.780 9.157 0.213 917 HD12 LEU 127 HD12 LEU 127 12.088 9.555 -0.900 918 HD13 LEU 127 HD13 LEU 127 10.413 9.854 -1.364 919 HD21 LEU 127 HD21 LEU 127 11.077 12.247 -1.833 920 HD22 LEU 127 HD22 LEU 127 12.723 11.913 -1.293 921 HD23 LEU 127 HD23 LEU 127 11.795 13.212 -0.543 922 H SER 128 H SER 128 8.536 14.572 -0.699 923 HA SER 128 HA SER 128 6.073 14.776 0.843 924 HB2 SER 128 HB2 SER 128 6.867 16.198 -1.708 925 HB3 SER 128 HB3 SER 128 5.473 16.571 -0.690 926 HG SER 128 HG SER 128 8.162 17.145 -0.320 927 H GLY 129 H GLY 129 5.627 12.469 0.431 928 HA2 GLY 129 HA2 GLY 129 4.152 12.235 -2.106 929 HA3 GLY 129 HA3 GLY 129 5.019 10.877 -1.398 930 H GLU 130 H GLU 130 3.527 9.505 -0.801 931 HA GLU 130 HA GLU 130 1.362 10.434 0.950 932 HB2 GLU 130 HB2 GLU 130 1.048 8.310 -1.184 933 HB3 GLU 130 HB3 GLU 130 -0.200 8.884 -0.092 934 HG2 GLU 130 HG2 GLU 130 -0.697 9.925 -2.096 935 HG3 GLU 130 HG3 GLU 130 0.166 11.169 -1.192 936 H ALA 131 H ALA 131 0.351 8.446 2.105 937 HA ALA 131 HA ALA 131 2.626 6.877 3.088 938 HB1 ALA 131 HB1 ALA 131 1.276 8.059 4.745 939 HB2 ALA 131 HB2 ALA 131 1.213 6.312 4.984 940 HB3 ALA 131 HB3 ALA 131 -0.147 7.150 4.236 941 H TYR 132 H TYR 132 2.585 4.622 3.232 942 HA TYR 132 HA TYR 132 0.627 3.270 1.496 943 HB2 TYR 132 HB2 TYR 132 3.538 3.512 1.169 944 HB3 TYR 132 HB3 TYR 132 2.936 1.865 1.049 945 HD1 TYR 132 HD2 TYR 132 1.051 1.422 -0.623 946 HD2 TYR 132 HD1 TYR 132 3.417 4.957 -0.663 947 HE1 TYR 132 HE2 TYR 132 0.427 1.803 -2.970 948 HE2 TYR 132 HE1 TYR 132 2.807 5.343 -3.015 949 HH TYR 132 HH TYR 132 0.299 3.645 -4.570 950 H GLU 133 H GLU 133 -0.345 1.704 2.655 951 HA GLU 133 HA GLU 133 1.268 0.224 4.618 952 HB2 GLU 133 HB2 GLU 133 -1.719 0.303 4.151 953 HB3 GLU 133 HB3 GLU 133 -0.938 -0.786 5.287 954 HG2 GLU 133 HG2 GLU 133 -0.074 1.154 6.519 955 HG3 GLU 133 HG3 GLU 133 -0.923 2.220 5.398 956 H ILE 134 H ILE 134 2.238 -1.546 3.852 957 HA ILE 134 HA ILE 134 1.030 -3.005 1.620 958 HB ILE 134 HB ILE 134 3.688 -3.425 3.005 959 HG12 ILE 134 HG12 ILE 134 3.062 -2.174 0.316 960 HG13 ILE 134 HG13 ILE 134 3.537 -1.289 1.763 961 HG21 ILE 134 HG21 ILE 134 2.875 -5.492 2.045 962 HG22 ILE 134 HG22 ILE 134 4.213 -4.873 1.076 963 HG23 ILE 134 HG23 ILE 134 2.554 -4.685 0.510 964 HD11 ILE 134 HD11 ILE 134 5.398 -1.557 0.223 965 HD12 ILE 134 HD12 ILE 134 5.224 -3.311 0.301 966 HD13 ILE 134 HD13 ILE 134 5.702 -2.406 1.738 967 H TYR 135 H TYR 135 -0.418 -4.510 2.139 968 HA TYR 135 HA TYR 135 -0.903 -5.229 4.820 969 HB2 TYR 135 HB2 TYR 135 -2.449 -5.185 2.689 970 HB3 TYR 135 HB3 TYR 135 -1.973 -6.873 2.566 971 HD1 TYR 135 HD1 TYR 135 -3.541 -4.395 4.842 972 HD2 TYR 135 HD2 TYR 135 -3.012 -8.509 3.900 973 HE1 TYR 135 HE1 TYR 135 -5.292 -4.985 6.461 974 HE2 TYR 135 HE2 TYR 135 -4.755 -9.111 5.520 975 HH TYR 135 HH TYR 135 -5.878 -8.238 7.450 976 H LEU 136 H LEU 136 -1.232 -7.573 5.463 977 HA LEU 136 HA LEU 136 1.207 -8.769 5.889 978 HB2 LEU 136 HB2 LEU 136 -1.578 -9.892 5.997 979 HB3 LEU 136 HB3 LEU 136 -0.174 -10.830 6.468 980 HG LEU 136 HG LEU 136 -0.958 -8.208 7.743 981 HD11 LEU 136 HD11 LEU 136 -1.717 -9.549 9.630 982 HD12 LEU 136 HD12 LEU 136 -1.375 -11.027 8.730 983 HD13 LEU 136 HD13 LEU 136 -2.640 -9.930 8.176 984 HD21 LEU 136 HD21 LEU 136 0.657 -8.846 9.452 985 HD22 LEU 136 HD22 LEU 136 1.428 -8.736 7.870 986 HD23 LEU 136 HD23 LEU 136 1.043 -10.315 8.555 987 H ASP 137 H ASP 137 2.304 -10.466 5.098 988 HA ASP 137 HA ASP 137 2.451 -10.957 2.387 989 HB2 ASP 137 HB2 ASP 137 3.348 -12.548 4.778 990 HB3 ASP 137 HB3 ASP 137 3.691 -13.093 3.142 991 H ASN 138 H ASN 138 1.756 -12.580 1.037 992 HA ASN 138 HA ASN 138 -0.304 -14.378 2.072 993 HB2 ASN 138 HB2 ASN 138 -0.599 -14.926 -0.443 994 HB3 ASN 138 HB3 ASN 138 -1.208 -13.395 0.165 995 HD21 ASN 138 HD21 ASN 138 2.177 -14.173 -0.592 996 HD22 ASN 138 HD22 ASN 138 2.311 -13.041 -1.899 997 HA PRO 139 HA PRO 139 3.418 -16.958 1.999 998 HB2 PRO 139 HB2 PRO 139 3.110 -18.072 4.384 999 HB3 PRO 139 HB3 PRO 139 3.518 -16.356 4.249 1000 HG2 PRO 139 HG2 PRO 139 0.887 -17.638 4.847 1001 HG3 PRO 139 HG3 PRO 139 1.605 -16.171 5.537 1002 HD2 PRO 139 HD2 PRO 139 -0.277 -16.265 3.471 1003 HD3 PRO 139 HD3 PRO 139 0.730 -14.870 3.903 1004 H ALA 140 H ALA 140 3.483 -19.445 3.046 1005 HA ALA 140 HA ALA 140 1.818 -21.072 1.397 1006 HB1 ALA 140 HB1 ALA 140 2.843 -22.945 2.599 1007 HB2 ALA 140 HB2 ALA 140 3.531 -21.819 3.768 1008 HB3 ALA 140 HB3 ALA 140 4.052 -21.769 2.084 1009 H GLU 141 H GLU 141 0.363 -19.278 3.134 1010 HA GLU 141 HA GLU 141 -1.443 -19.132 4.449 1011 HB2 GLU 141 HB2 GLU 141 -1.732 -22.054 3.804 1012 HB3 GLU 141 HB3 GLU 141 -2.979 -20.988 4.428 1013 HG2 GLU 141 HG2 GLU 141 -2.727 -19.597 2.383 1014 HG3 GLU 141 HG3 GLU 141 -1.625 -20.818 1.753 1015 H THR 142 H THR 142 0.934 -19.498 5.712 1016 HA THR 142 HA THR 142 0.703 -21.346 7.900 1017 HB THR 142 HB THR 142 2.913 -20.795 7.040 1018 HG1 THR 142 HG1 THR 142 2.299 -19.990 9.679 1019 HG21 THR 142 HG21 THR 142 3.884 -18.553 7.303 1020 HG22 THR 142 HG22 THR 142 2.337 -17.954 7.906 1021 HG23 THR 142 HG23 THR 142 2.474 -18.527 6.244 1022 H ALA 143 H ALA 143 -1.369 -19.237 7.462 1023 HA ALA 143 HA ALA 143 -2.807 -18.007 8.711 1024 HB1 ALA 143 HB1 ALA 143 -1.050 -18.662 11.072 1025 HB2 ALA 143 HB2 ALA 143 -2.413 -19.632 10.514 1026 HB3 ALA 143 HB3 ALA 143 -2.684 -18.000 11.126 1027 HA PRO 144 HA PRO 144 -0.965 -13.956 9.132 1028 HB2 PRO 144 HB2 PRO 144 -3.079 -13.226 11.022 1029 HB3 PRO 144 HB3 PRO 144 -2.778 -12.612 9.395 1030 HG2 PRO 144 HG2 PRO 144 -4.901 -14.174 9.978 1031 HG3 PRO 144 HG3 PRO 144 -4.090 -14.221 8.402 1032 HD2 PRO 144 HD2 PRO 144 -3.819 -16.094 10.729 1033 HD3 PRO 144 HD3 PRO 144 -3.930 -16.461 8.994 1034 H ASP 145 H ASP 145 -1.009 -12.337 11.266 1035 HA ASP 145 HA ASP 145 -0.186 -11.823 13.319 1036 HB2 ASP 145 HB2 ASP 145 -1.565 -13.510 14.338 1037 HB3 ASP 145 HB3 ASP 145 -0.478 -14.790 13.811 1038 H GLN 146 H GLN 146 1.259 -14.619 11.770 1039 HA GLN 146 HA GLN 146 3.851 -14.036 12.954 1040 HB2 GLN 146 HB2 GLN 146 2.933 -16.265 11.137 1041 HB3 GLN 146 HB3 GLN 146 4.552 -16.132 11.815 1042 HG2 GLN 146 HG2 GLN 146 3.699 -16.340 14.044 1043 HG3 GLN 146 HG3 GLN 146 2.039 -16.295 13.460 1044 HE21 GLN 146 HE21 GLN 146 1.516 -18.260 14.343 1045 HE22 GLN 146 HE22 GLN 146 2.117 -19.764 13.716 1046 H LEU 147 H LEU 147 2.151 -13.331 10.100 1047 HA LEU 147 HA LEU 147 4.569 -12.770 8.587 1048 HB2 LEU 147 HB2 LEU 147 1.639 -12.556 7.949 1049 HB3 LEU 147 HB3 LEU 147 2.840 -11.774 6.939 1050 HG LEU 147 HG LEU 147 2.324 -13.836 5.898 1051 HD11 LEU 147 HD11 LEU 147 4.450 -15.036 5.947 1052 HD12 LEU 147 HD12 LEU 147 4.903 -14.175 7.419 1053 HD13 LEU 147 HD13 LEU 147 4.691 -13.288 5.910 1054 HD21 LEU 147 HD21 LEU 147 2.832 -15.178 8.547 1055 HD22 LEU 147 HD22 LEU 147 2.468 -15.993 7.025 1056 HD23 LEU 147 HD23 LEU 147 1.262 -14.951 7.778 1057 H ARG 148 H ARG 148 4.407 -10.469 7.428 1058 HA ARG 148 HA ARG 148 4.127 -8.565 9.658 1059 HB2 ARG 148 HB2 ARG 148 6.394 -8.853 7.680 1060 HB3 ARG 148 HB3 ARG 148 6.216 -7.488 8.778 1061 HG2 ARG 148 HG2 ARG 148 6.695 -8.738 10.640 1062 HG3 ARG 148 HG3 ARG 148 6.185 -10.248 9.888 1063 HD2 ARG 148 HD2 ARG 148 8.179 -10.316 8.549 1064 HD3 ARG 148 HD3 ARG 148 8.659 -8.712 9.107 1065 HE ARG 148 HE ARG 148 9.289 -9.618 11.159 1066 HH11 ARG 148 HH11 ARG 148 7.961 -12.098 9.056 1067 HH12 ARG 148 HH12 ARG 148 8.494 -13.399 10.064 1068 HH21 ARG 148 HH21 ARG 148 9.989 -11.315 12.470 1069 HH22 ARG 148 HH22 ARG 148 9.646 -12.957 12.017 1070 H THR 149 H THR 149 3.231 -6.647 9.244 1071 HA THR 149 HA THR 149 2.373 -6.067 6.501 1072 HB THR 149 HB THR 149 1.598 -4.692 9.091 1073 HG1 THR 149 HG1 THR 149 0.845 -6.857 8.972 1074 HG21 THR 149 HG21 THR 149 1.323 -3.251 7.134 1075 HG22 THR 149 HG22 THR 149 -0.244 -3.741 7.780 1076 HG23 THR 149 HG23 THR 149 0.392 -4.514 6.327 1077 H ARG 150 H ARG 150 3.440 -4.609 5.335 1078 HA ARG 150 HA ARG 150 5.646 -3.189 6.623 1079 HB2 ARG 150 HB2 ARG 150 5.010 -3.578 3.688 1080 HB3 ARG 150 HB3 ARG 150 6.483 -2.867 4.337 1081 HG2 ARG 150 HG2 ARG 150 7.270 -4.903 5.127 1082 HG3 ARG 150 HG3 ARG 150 5.667 -5.641 5.104 1083 HD2 ARG 150 HD2 ARG 150 5.680 -5.606 2.667 1084 HD3 ARG 150 HD3 ARG 150 7.265 -4.835 2.676 1085 HE ARG 150 HE ARG 150 8.234 -6.867 3.089 1086 HH11 ARG 150 HH11 ARG 150 4.789 -7.129 3.754 1087 HH12 ARG 150 HH12 ARG 150 4.826 -8.862 3.890 1088 HH21 ARG 150 HH21 ARG 150 8.242 -9.165 3.207 1089 HH22 ARG 150 HH22 ARG 150 6.747 -10.005 3.528 1090 H VAL 151 H VAL 151 4.586 -1.467 7.593 1091 HA VAL 151 HA VAL 151 2.959 0.261 5.887 1092 HB VAL 151 HB VAL 151 1.957 -0.260 8.020 1093 HG11 VAL 151 HG11 VAL 151 2.957 0.392 10.148 1094 HG12 VAL 151 HG12 VAL 151 4.406 0.939 9.304 1095 HG13 VAL 151 HG13 VAL 151 3.970 -0.770 9.291 1096 HG21 VAL 151 HG21 VAL 151 2.936 2.593 7.980 1097 HG22 VAL 151 HG22 VAL 151 1.549 1.993 8.886 1098 HG23 VAL 151 HG23 VAL 151 1.529 1.963 7.124 1099 H SER 152 H SER 152 3.714 2.047 5.013 1100 HA SER 152 HA SER 152 6.122 3.289 6.160 1101 HB2 SER 152 HB2 SER 152 6.568 1.972 4.040 1102 HB3 SER 152 HB3 SER 152 5.515 3.108 3.199 1103 HG SER 152 HG SER 152 7.586 4.148 4.761 1104 H LEU 153 H LEU 153 6.183 5.576 6.043 1105 HA LEU 153 HA LEU 153 3.718 6.853 5.094 1106 HB2 LEU 153 HB2 LEU 153 3.637 8.188 7.233 1107 HB3 LEU 153 HB3 LEU 153 3.100 6.523 7.319 1108 HG LEU 153 HG LEU 153 5.915 7.199 8.091 1109 HD11 LEU 153 HD11 LEU 153 5.186 7.611 10.373 1110 HD12 LEU 153 HD12 LEU 153 3.500 7.473 9.877 1111 HD13 LEU 153 HD13 LEU 153 4.488 8.806 9.279 1112 HD21 LEU 153 HD21 LEU 153 5.237 4.849 7.921 1113 HD22 LEU 153 HD22 LEU 153 3.919 5.148 9.054 1114 HD23 LEU 153 HD23 LEU 153 5.592 5.295 9.590 1115 H MET 154 H MET 154 3.926 9.338 5.814 1116 HA MET 154 HA MET 154 5.974 10.411 4.200 1117 HB2 MET 154 HB2 MET 154 5.178 12.578 4.867 1118 HB3 MET 154 HB3 MET 154 3.784 11.526 4.661 1119 HG2 MET 154 HG2 MET 154 3.447 11.335 6.979 1120 HG3 MET 154 HG3 MET 154 5.036 12.004 7.345 1121 HE1 MET 154 HE1 MET 154 1.411 12.740 6.091 1122 HE2 MET 154 HE2 MET 154 2.369 13.308 4.724 1123 HE3 MET 154 HE3 MET 154 1.485 14.462 5.723 1124 H LEU 155 H LEU 155 7.694 11.822 4.829 1125 HA LEU 155 HA LEU 155 8.942 10.957 7.313 1126 HB2 LEU 155 HB2 LEU 155 9.968 12.195 4.787 1127 HB3 LEU 155 HB3 LEU 155 10.938 12.230 6.245 1128 HG LEU 155 HG LEU 155 11.559 10.378 4.741 1129 HD11 LEU 155 HD11 LEU 155 11.982 10.138 7.104 1130 HD12 LEU 155 HD12 LEU 155 11.496 8.583 6.424 1131 HD13 LEU 155 HD13 LEU 155 10.346 9.534 7.366 1132 HD21 LEU 155 HD21 LEU 155 9.391 9.903 3.744 1133 HD22 LEU 155 HD22 LEU 155 8.777 9.351 5.303 1134 HD23 LEU 155 HD23 LEU 155 10.057 8.450 4.492 1135 H HIS 156 H HIS 156 8.356 14.045 5.575 1136 HA HIS 156 HA HIS 156 8.892 15.443 8.062 1137 HB2 HIS 156 HB2 HIS 156 8.652 17.536 6.789 1138 HB3 HIS 156 HB3 HIS 156 9.862 16.467 6.106 1139 HD1 HIS 156 HD1 HIS 156 7.660 18.799 4.942 1140 HD2 HIS 156 HD2 HIS 156 8.221 14.804 3.933 1141 HE1 HIS 156 HE1 HIS 156 6.769 18.560 2.609 1142 HE2 HIS 156 HE2 HIS 156 7.354 16.214 1.938 1143 H GLU 157 H GLU 157 7.431 15.584 9.494 1144 HA GLU 157 HA GLU 157 4.854 14.610 9.245 1145 HB2 GLU 157 HB2 GLU 157 6.067 14.623 11.331 1146 HB3 GLU 157 HB3 GLU 157 6.088 16.377 11.357 1147 HG2 GLU 157 HG2 GLU 157 3.407 15.216 11.245 1148 HG3 GLU 157 HG3 GLU 157 4.323 14.801 12.692 1149 H SER 158 H SER 158 5.626 18.044 9.939 1150 HA SER 158 HA SER 158 2.875 18.742 9.489 1151 HB2 SER 158 HB2 SER 158 4.297 19.820 11.239 1152 HB3 SER 158 HB3 SER 158 5.240 20.576 9.958 1153 HG SER 158 HG SER 158 2.776 21.155 9.385 1154 H LEU 159 H LEU 159 4.955 17.866 7.319 1155 HA LEU 159 HA LEU 159 5.455 18.266 5.156 1156 HB2 LEU 159 HB2 LEU 159 2.982 19.995 5.262 1157 HB3 LEU 159 HB3 LEU 159 3.820 19.536 3.793 1158 HG LEU 159 HG LEU 159 2.478 17.618 5.698 1159 HD11 LEU 159 HD11 LEU 159 0.860 18.996 4.523 1160 HD12 LEU 159 HD12 LEU 159 0.829 17.344 3.905 1161 HD13 LEU 159 HD13 LEU 159 1.629 18.616 2.983 1162 HD21 LEU 159 HD21 LEU 159 4.371 16.599 4.570 1163 HD22 LEU 159 HD22 LEU 159 3.781 17.177 3.012 1164 HD23 LEU 159 HD23 LEU 159 2.860 15.970 3.910 1165 H GLU 160 H GLU 160 4.066 21.463 5.382 1166 HA GLU 160 HA GLU 160 6.698 22.614 5.835 1167 HB2 GLU 160 HB2 GLU 160 6.204 22.486 3.360 1168 HB3 GLU 160 HB3 GLU 160 4.859 23.582 3.645 1169 HG2 GLU 160 HG2 GLU 160 6.244 25.367 4.119 1170 HG3 GLU 160 HG3 GLU 160 7.615 24.330 4.507 1171 H HIS 161 H HIS 161 4.183 22.138 7.235 1172 HA HIS 161 HA HIS 161 2.836 23.059 8.772 1173 HB2 HIS 161 HB2 HIS 161 5.142 24.126 9.333 1174 HB3 HIS 161 HB3 HIS 161 4.414 25.603 8.710 1175 HD1 HIS 161 HD1 HIS 161 3.658 22.945 11.322 1176 HD2 HIS 161 HD2 HIS 161 3.005 26.980 10.574 1177 HE1 HIS 161 HE1 HIS 161 2.536 23.846 13.383 1178 HE2 HIS 161 HE2 HIS 161 2.400 26.329 13.000 1179 H HIS 162 H HIS 162 3.534 26.259 7.458 1180 HA HIS 162 HA HIS 162 0.780 26.296 6.408 1181 HB2 HIS 162 HB2 HIS 162 1.478 27.957 8.240 1182 HB3 HIS 162 HB3 HIS 162 2.448 28.736 6.993 1183 HD1 HIS 162 HD1 HIS 162 -1.158 27.503 7.155 1184 HD2 HIS 162 HD2 HIS 162 1.059 30.816 5.955 1185 HE1 HIS 162 HE1 HIS 162 -2.831 29.156 6.265 1186 HE2 HIS 162 HE2 HIS 162 -1.489 31.209 5.698 1187 H HIS 163 H HIS 163 0.960 25.669 4.337 1188 HA HIS 163 HA HIS 163 3.352 26.135 2.839 1189 HB2 HIS 163 HB2 HIS 163 1.999 24.064 2.601 1190 HB3 HIS 163 HB3 HIS 163 0.712 25.019 1.869 1191 HD1 HIS 163 HD1 HIS 163 0.868 25.440 -0.610 1192 HD2 HIS 163 HD2 HIS 163 4.417 23.988 1.008 1193 HE1 HIS 163 HE1 HIS 163 2.391 25.021 -2.565 1194 HE2 HIS 163 HE2 HIS 163 4.603 24.395 -1.537 1195 H HIS 164 H HIS 164 3.792 27.571 1.334 1196 HA HIS 164 HA HIS 164 1.663 29.404 0.416 1197 HB2 HIS 164 HB2 HIS 164 3.459 30.328 2.034 1198 HB3 HIS 164 HB3 HIS 164 4.587 30.129 0.701 1199 HD1 HIS 164 HD1 HIS 164 4.928 32.197 -0.579 1200 HD2 HIS 164 HD2 HIS 164 1.134 32.041 1.111 1201 HE1 HIS 164 HE1 HIS 164 3.837 34.381 -1.162 1202 HE2 HIS 164 HE2 HIS 164 1.629 34.349 0.052 1203 H HIS 165 H HIS 165 1.347 29.153 -1.763 1204 HA HIS 165 HA HIS 165 2.930 27.234 -3.131 1205 HB2 HIS 165 HB2 HIS 165 1.475 27.503 -5.017 1206 HB3 HIS 165 HB3 HIS 165 0.497 27.526 -3.558 1207 HD1 HIS 165 HD1 HIS 165 1.885 29.908 -6.187 1208 HD2 HIS 165 HD2 HIS 165 -1.125 29.712 -3.308 1209 HE1 HIS 165 HE1 HIS 165 0.440 31.929 -6.565 1210 HE2 HIS 165 HE2 HIS 165 -1.477 31.677 -4.951 1211 H HIS 166 H HIS 166 3.730 27.612 -5.391 1212 HA HIS 166 HA HIS 166 5.782 29.604 -5.278 1213 HB2 HIS 166 HB2 HIS 166 4.926 27.672 -7.443 1214 HB3 HIS 166 HB3 HIS 166 6.293 28.767 -7.613 1215 HD1 HIS 166 HD1 HIS 166 8.067 26.959 -7.724 1216 HD2 HIS 166 HD2 HIS 166 5.715 26.723 -4.299 1217 HE1 HIS 166 HE1 HIS 166 9.205 25.290 -6.225 1218 HE2 HIS 166 HE2 HIS 166 7.819 25.219 -4.125 Start of MODEL 18 1 H1 MET 1 H1 MET 1 15.057 -8.262 8.881 2 H2 MET 1 H2 MET 1 15.449 -6.734 9.505 3 H3 MET 1 H3 MET 1 13.869 -7.338 9.664 4 HA MET 1 HA MET 1 16.286 -8.498 10.921 5 HB2 MET 1 HB2 MET 1 15.370 -6.251 11.773 6 HB3 MET 1 HB3 MET 1 13.951 -7.153 12.284 7 HG2 MET 1 HG2 MET 1 15.236 -8.460 13.801 8 HG3 MET 1 HG3 MET 1 16.747 -7.801 13.175 9 HE1 MET 1 HE1 MET 1 17.454 -5.217 13.465 10 HE2 MET 1 HE2 MET 1 16.457 -4.033 14.314 11 HE3 MET 1 HE3 MET 1 15.901 -4.728 12.790 12 H ASP 2 H ASP 2 16.016 -10.551 11.646 13 HA ASP 2 HA ASP 2 13.413 -11.762 10.991 14 HB2 ASP 2 HB2 ASP 2 16.212 -12.868 10.853 15 HB3 ASP 2 HB3 ASP 2 14.779 -13.877 10.710 16 H PHE 3 H PHE 3 16.194 -12.281 13.169 17 HA PHE 3 HA PHE 3 14.791 -14.152 14.792 18 HB2 PHE 3 HB2 PHE 3 17.260 -14.117 14.603 19 HB3 PHE 3 HB3 PHE 3 17.292 -12.568 15.438 20 HD1 PHE 3 HD2 PHE 3 16.218 -16.100 15.854 21 HD2 PHE 3 HD1 PHE 3 17.457 -12.497 17.749 22 HE1 PHE 3 HE2 PHE 3 16.334 -17.279 18.011 23 HE2 PHE 3 HE1 PHE 3 17.575 -13.668 19.909 24 HZ PHE 3 HZ PHE 3 17.014 -16.062 20.043 25 H GLU 4 H GLU 4 15.580 -10.731 15.101 26 HA GLU 4 HA GLU 4 13.767 -10.492 17.382 27 HB2 GLU 4 HB2 GLU 4 15.598 -8.497 16.026 28 HB3 GLU 4 HB3 GLU 4 14.531 -8.097 17.364 29 HG2 GLU 4 HG2 GLU 4 16.706 -10.167 17.496 30 HG3 GLU 4 HG3 GLU 4 16.892 -8.489 18.006 31 H CYS 5 H CYS 5 11.728 -9.738 17.139 32 HA CYS 5 HA CYS 5 10.790 -9.143 14.480 33 HB2 CYS 5 HB2 CYS 5 9.299 -9.039 17.113 34 HB3 CYS 5 HB3 CYS 5 8.579 -9.017 15.506 35 HG CYS 5 HG CYS 5 9.047 -11.599 14.875 36 H GLN 6 H GLN 6 9.840 -7.348 17.371 37 HA GLN 6 HA GLN 6 9.922 -5.198 17.979 38 HB2 GLN 6 HB2 GLN 6 12.319 -5.247 16.165 39 HB3 GLN 6 HB3 GLN 6 11.857 -3.839 17.106 40 HG2 GLN 6 HG2 GLN 6 12.419 -6.534 18.300 41 HG3 GLN 6 HG3 GLN 6 13.622 -5.254 18.143 42 HE21 GLN 6 HE21 GLN 6 12.503 -6.558 20.520 43 HE22 GLN 6 HE22 GLN 6 11.866 -5.271 21.498 44 H PHE 7 H PHE 7 9.265 -3.151 17.436 45 HA PHE 7 HA PHE 7 8.171 -2.796 14.763 46 HB2 PHE 7 HB2 PHE 7 7.997 -1.013 17.209 47 HB3 PHE 7 HB3 PHE 7 7.139 -0.753 15.694 48 HD1 PHE 7 HD1 PHE 7 7.328 -2.769 18.736 49 HD2 PHE 7 HD2 PHE 7 5.229 -2.095 15.098 50 HE1 PHE 7 HE1 PHE 7 5.461 -4.141 19.566 51 HE2 PHE 7 HE2 PHE 7 3.357 -3.464 15.917 52 HZ PHE 7 HZ PHE 7 3.470 -4.492 18.156 53 H VAL 8 H VAL 8 10.094 -2.614 13.599 54 HA VAL 8 HA VAL 8 11.940 -0.477 14.383 55 HB VAL 8 HB VAL 8 12.346 -2.680 12.354 56 HG11 VAL 8 HG11 VAL 8 14.715 -2.042 12.458 57 HG12 VAL 8 HG12 VAL 8 14.298 -0.694 13.516 58 HG13 VAL 8 HG13 VAL 8 13.701 -0.729 11.856 59 HG21 VAL 8 HG21 VAL 8 13.817 -3.698 14.023 60 HG22 VAL 8 HG22 VAL 8 12.158 -3.577 14.612 61 HG23 VAL 8 HG23 VAL 8 13.381 -2.438 15.178 62 H CYS 9 H CYS 9 12.056 1.346 13.293 63 HA CYS 9 HA CYS 9 10.706 1.575 10.703 64 HB2 CYS 9 HB2 CYS 9 11.862 3.790 12.403 65 HB3 CYS 9 HB3 CYS 9 10.712 3.945 11.079 66 HG CYS 9 HG CYS 9 8.526 3.321 12.404 67 H GLU 10 H GLU 10 11.867 1.855 8.843 68 HA GLU 10 HA GLU 10 14.670 2.666 9.058 69 HB2 GLU 10 HB2 GLU 10 14.613 0.181 9.092 70 HB3 GLU 10 HB3 GLU 10 13.784 0.201 7.543 71 HG2 GLU 10 HG2 GLU 10 15.692 1.132 6.452 72 HG3 GLU 10 HG3 GLU 10 16.511 1.385 7.992 73 H LEU 11 H LEU 11 15.535 3.542 7.123 74 HA LEU 11 HA LEU 11 13.532 4.681 5.380 75 HB2 LEU 11 HB2 LEU 11 15.622 5.852 6.257 76 HB3 LEU 11 HB3 LEU 11 16.526 4.904 5.098 77 HG LEU 11 HG LEU 11 16.004 7.260 4.394 78 HD11 LEU 11 HD11 LEU 11 16.586 5.555 2.750 79 HD12 LEU 11 HD12 LEU 11 15.402 6.695 2.107 80 HD13 LEU 11 HD13 LEU 11 14.888 5.089 2.628 81 HD21 LEU 11 HD21 LEU 11 13.765 7.424 5.320 82 HD22 LEU 11 HD22 LEU 11 13.197 6.184 4.202 83 HD23 LEU 11 HD23 LEU 11 13.750 7.739 3.584 84 H LYS 12 H LYS 12 12.727 3.495 3.842 85 HA LYS 12 HA LYS 12 14.410 1.448 2.561 86 HB2 LYS 12 HB2 LYS 12 11.407 1.499 2.929 87 HB3 LYS 12 HB3 LYS 12 12.306 0.241 2.095 88 HG2 LYS 12 HG2 LYS 12 12.627 0.942 5.006 89 HG3 LYS 12 HG3 LYS 12 11.647 -0.386 4.383 90 HD2 LYS 12 HD2 LYS 12 14.629 -0.065 4.042 91 HD3 LYS 12 HD3 LYS 12 13.825 -1.176 5.155 92 HE2 LYS 12 HE2 LYS 12 12.762 -2.284 3.221 93 HE3 LYS 12 HE3 LYS 12 13.653 -1.212 2.143 94 HZ1 LYS 12 HZ1 LYS 12 14.865 -3.205 2.245 95 HZ2 LYS 12 HZ2 LYS 12 14.736 -3.312 3.930 96 HZ3 LYS 12 HZ3 LYS 12 15.719 -2.120 3.229 97 H GLU 13 H GLU 13 13.324 0.838 0.336 98 HA GLU 13 HA GLU 13 12.882 3.363 -1.101 99 HB2 GLU 13 HB2 GLU 13 13.668 1.697 -3.067 100 HB3 GLU 13 HB3 GLU 13 14.773 2.707 -2.148 101 HG2 GLU 13 HG2 GLU 13 15.652 0.479 -2.339 102 HG3 GLU 13 HG3 GLU 13 15.246 0.820 -0.661 103 H LEU 14 H LEU 14 11.437 3.341 -2.884 104 HA LEU 14 HA LEU 14 9.513 1.111 -2.836 105 HB2 LEU 14 HB2 LEU 14 9.008 4.053 -3.275 106 HB3 LEU 14 HB3 LEU 14 7.824 2.806 -3.611 107 HG LEU 14 HG LEU 14 8.977 3.481 -0.901 108 HD11 LEU 14 HD11 LEU 14 7.394 5.140 -1.685 109 HD12 LEU 14 HD12 LEU 14 6.669 4.173 -0.400 110 HD13 LEU 14 HD13 LEU 14 6.230 3.879 -2.083 111 HD21 LEU 14 HD21 LEU 14 8.536 1.088 -1.096 112 HD22 LEU 14 HD22 LEU 14 6.904 1.427 -1.672 113 HD23 LEU 14 HD23 LEU 14 7.367 1.859 -0.025 114 H ALA 15 H ALA 15 9.278 0.066 -4.678 115 HA ALA 15 HA ALA 15 10.608 1.098 -7.060 116 HB1 ALA 15 HB1 ALA 15 9.484 -1.646 -6.497 117 HB2 ALA 15 HB2 ALA 15 11.169 -1.169 -6.296 118 HB3 ALA 15 HB3 ALA 15 10.443 -1.181 -7.902 119 HA PRO 16 HA PRO 16 6.716 2.011 -8.995 120 HB2 PRO 16 HB2 PRO 16 8.011 1.768 -11.586 121 HB3 PRO 16 HB3 PRO 16 7.436 3.221 -10.767 122 HG2 PRO 16 HG2 PRO 16 10.073 2.686 -11.155 123 HG3 PRO 16 HG3 PRO 16 9.467 3.628 -9.782 124 HD2 PRO 16 HD2 PRO 16 10.298 0.753 -9.891 125 HD3 PRO 16 HD3 PRO 16 10.613 1.969 -8.633 126 H VAL 17 H VAL 17 5.275 0.421 -8.937 127 HA VAL 17 HA VAL 17 5.688 -1.942 -10.659 128 HB VAL 17 HB VAL 17 4.037 -1.719 -8.124 129 HG11 VAL 17 HG11 VAL 17 3.125 -3.373 -9.650 130 HG12 VAL 17 HG12 VAL 17 3.854 -4.157 -8.249 131 HG13 VAL 17 HG13 VAL 17 4.707 -4.137 -9.793 132 HG21 VAL 17 HG21 VAL 17 5.745 -3.134 -7.085 133 HG22 VAL 17 HG22 VAL 17 6.410 -1.594 -7.627 134 HG23 VAL 17 HG23 VAL 17 6.702 -3.059 -8.564 135 HA PRO 18 HA PRO 18 1.945 -0.581 -12.738 136 HB2 PRO 18 HB2 PRO 18 1.327 -2.907 -13.998 137 HB3 PRO 18 HB3 PRO 18 2.601 -1.819 -14.556 138 HG2 PRO 18 HG2 PRO 18 2.824 -4.343 -12.970 139 HG3 PRO 18 HG3 PRO 18 3.845 -3.756 -14.295 140 HD2 PRO 18 HD2 PRO 18 4.551 -3.555 -11.677 141 HD3 PRO 18 HD3 PRO 18 5.074 -2.394 -12.914 142 H ALA 19 H ALA 19 0.307 -0.254 -11.361 143 HA ALA 19 HA ALA 19 -1.013 -2.627 -10.221 144 HB1 ALA 19 HB1 ALA 19 0.191 -1.411 -8.483 145 HB2 ALA 19 HB2 ALA 19 -1.552 -1.299 -8.238 146 HB3 ALA 19 HB3 ALA 19 -0.666 0.069 -8.911 147 H LEU 20 H LEU 20 -3.241 -2.565 -10.021 148 HA LEU 20 HA LEU 20 -4.639 -0.537 -11.621 149 HB2 LEU 20 HB2 LEU 20 -4.959 -3.363 -11.191 150 HB3 LEU 20 HB3 LEU 20 -6.407 -2.540 -10.653 151 HG LEU 20 HG LEU 20 -6.599 -3.307 -12.967 152 HD11 LEU 20 HD11 LEU 20 -6.475 -0.311 -12.721 153 HD12 LEU 20 HD12 LEU 20 -7.839 -1.337 -12.274 154 HD13 LEU 20 HD13 LEU 20 -7.341 -1.213 -13.963 155 HD21 LEU 20 HD21 LEU 20 -5.273 -2.266 -14.736 156 HD22 LEU 20 HD22 LEU 20 -4.260 -3.179 -13.618 157 HD23 LEU 20 HD23 LEU 20 -4.316 -1.420 -13.520 158 H LEU 21 H LEU 21 -5.771 1.036 -10.590 159 HA LEU 21 HA LEU 21 -6.725 0.609 -7.906 160 HB2 LEU 21 HB2 LEU 21 -5.493 2.429 -6.863 161 HB3 LEU 21 HB3 LEU 21 -4.439 1.150 -7.403 162 HG LEU 21 HG LEU 21 -3.362 3.263 -7.733 163 HD11 LEU 21 HD11 LEU 21 -2.856 3.228 -10.111 164 HD12 LEU 21 HD12 LEU 21 -4.243 2.175 -10.391 165 HD13 LEU 21 HD13 LEU 21 -2.886 1.607 -9.418 166 HD21 LEU 21 HD21 LEU 21 -5.744 4.090 -9.377 167 HD22 LEU 21 HD22 LEU 21 -4.236 4.994 -9.237 168 HD23 LEU 21 HD23 LEU 21 -5.251 4.749 -7.817 169 H ILE 22 H ILE 22 -7.657 2.627 -6.967 170 HA ILE 22 HA ILE 22 -8.831 4.417 -8.987 171 HB ILE 22 HB ILE 22 -10.419 3.558 -6.577 172 HG12 ILE 22 HG12 ILE 22 -11.623 2.024 -8.364 173 HG13 ILE 22 HG13 ILE 22 -10.021 1.991 -9.091 174 HG21 ILE 22 HG21 ILE 22 -11.164 5.496 -7.849 175 HG22 ILE 22 HG22 ILE 22 -12.321 4.171 -7.983 176 HG23 ILE 22 HG23 ILE 22 -11.222 4.521 -9.317 177 HD11 ILE 22 HD11 ILE 22 -10.349 0.073 -7.662 178 HD12 ILE 22 HD12 ILE 22 -10.731 1.125 -6.298 179 HD13 ILE 22 HD13 ILE 22 -9.106 1.125 -6.984 180 H ARG 23 H ARG 23 -9.784 6.423 -7.760 181 HA ARG 23 HA ARG 23 -8.150 7.003 -5.386 182 HB2 ARG 23 HB2 ARG 23 -9.873 8.887 -7.019 183 HB3 ARG 23 HB3 ARG 23 -8.842 9.342 -5.671 184 HG2 ARG 23 HG2 ARG 23 -6.885 8.529 -6.994 185 HG3 ARG 23 HG3 ARG 23 -7.982 8.313 -8.361 186 HD2 ARG 23 HD2 ARG 23 -8.617 10.738 -8.085 187 HD3 ARG 23 HD3 ARG 23 -7.278 10.876 -6.946 188 HE ARG 23 HE ARG 23 -6.797 9.932 -9.688 189 HH11 ARG 23 HH11 ARG 23 -6.230 12.247 -7.128 190 HH12 ARG 23 HH12 ARG 23 -5.014 13.122 -8.007 191 HH21 ARG 23 HH21 ARG 23 -5.227 11.083 -10.867 192 HH22 ARG 23 HH22 ARG 23 -4.438 12.456 -10.146 193 H THR 24 H THR 24 -9.167 6.161 -3.613 194 HA THR 24 HA THR 24 -12.106 6.159 -3.643 195 HB THR 24 HB THR 24 -10.153 4.505 -2.024 196 HG1 THR 24 HG1 THR 24 -10.114 3.524 -3.943 197 HG21 THR 24 HG21 THR 24 -12.112 3.203 -1.334 198 HG22 THR 24 HG22 THR 24 -13.163 4.321 -2.203 199 HG23 THR 24 HG23 THR 24 -12.244 4.881 -0.806 200 H GLN 25 H GLN 25 -13.240 7.307 -2.145 201 HA GLN 25 HA GLN 25 -11.721 8.424 0.114 202 HB2 GLN 25 HB2 GLN 25 -13.465 10.201 0.210 203 HB3 GLN 25 HB3 GLN 25 -12.503 10.231 -1.260 204 HG2 GLN 25 HG2 GLN 25 -14.270 9.298 -2.538 205 HG3 GLN 25 HG3 GLN 25 -15.202 8.926 -1.090 206 HE21 GLN 25 HE21 GLN 25 -16.967 10.078 -1.821 207 HE22 GLN 25 HE22 GLN 25 -17.006 11.809 -1.845 208 H THR 26 H THR 26 -12.587 8.327 2.154 209 HA THR 26 HA THR 26 -14.638 6.248 2.411 210 HB THR 26 HB THR 26 -13.790 6.004 4.733 211 HG1 THR 26 HG1 THR 26 -11.756 7.795 3.838 212 HG21 THR 26 HG21 THR 26 -12.989 4.549 2.945 213 HG22 THR 26 HG22 THR 26 -11.718 4.866 4.125 214 HG23 THR 26 HG23 THR 26 -11.710 5.707 2.576 215 H ALA 27 H ALA 27 -16.564 6.673 3.299 216 HA ALA 27 HA ALA 27 -16.930 9.106 4.870 217 HB1 ALA 27 HB1 ALA 27 -17.336 9.813 2.555 218 HB2 ALA 27 HB2 ALA 27 -18.816 9.861 3.513 219 HB3 ALA 27 HB3 ALA 27 -18.544 8.539 2.377 220 H MET 28 H MET 28 -19.412 9.179 5.479 221 HA MET 28 HA MET 28 -20.945 8.272 6.875 222 HB2 MET 28 HB2 MET 28 -22.330 6.518 5.927 223 HB3 MET 28 HB3 MET 28 -21.902 7.696 4.700 224 HG2 MET 28 HG2 MET 28 -20.187 6.143 3.849 225 HG3 MET 28 HG3 MET 28 -20.705 4.956 5.047 226 HE1 MET 28 HE1 MET 28 -20.984 3.220 3.044 227 HE2 MET 28 HE2 MET 28 -20.557 4.444 1.849 228 HE3 MET 28 HE3 MET 28 -22.027 3.490 1.648 229 H SER 29 H SER 29 -18.262 7.566 7.543 230 HA SER 29 HA SER 29 -17.161 6.324 9.086 231 HB2 SER 29 HB2 SER 29 -19.481 6.604 10.217 232 HB3 SER 29 HB3 SER 29 -19.727 4.915 9.783 233 HG SER 29 HG SER 29 -18.845 4.887 11.795 234 H GLU 30 H GLU 30 -17.365 5.406 6.408 235 HA GLU 30 HA GLU 30 -17.220 2.486 6.744 236 HB2 GLU 30 HB2 GLU 30 -18.137 4.208 4.462 237 HB3 GLU 30 HB3 GLU 30 -17.558 2.580 4.164 238 HG2 GLU 30 HG2 GLU 30 -19.688 3.062 6.197 239 HG3 GLU 30 HG3 GLU 30 -20.093 3.029 4.481 240 H LEU 31 H LEU 31 -15.003 2.919 7.478 241 HA LEU 31 HA LEU 31 -13.076 3.924 5.609 242 HB2 LEU 31 HB2 LEU 31 -12.919 3.879 8.166 243 HB3 LEU 31 HB3 LEU 31 -12.513 2.187 8.009 244 HG LEU 31 HG LEU 31 -10.551 3.662 8.355 245 HD11 LEU 31 HD11 LEU 31 -9.140 2.700 6.629 246 HD12 LEU 31 HD12 LEU 31 -10.566 2.245 5.698 247 HD13 LEU 31 HD13 LEU 31 -10.264 1.500 7.268 248 HD21 LEU 31 HD21 LEU 31 -9.771 5.065 6.511 249 HD22 LEU 31 HD22 LEU 31 -11.322 5.613 7.147 250 HD23 LEU 31 HD23 LEU 31 -11.259 4.722 5.627 251 H GLY 32 H GLY 32 -13.635 0.650 6.953 252 HA2 GLY 32 HA2 GLY 32 -11.806 -0.519 5.077 253 HA3 GLY 32 HA3 GLY 32 -12.795 -1.380 6.242 254 H SER 33 H SER 33 -15.332 -0.700 5.485 255 HA SER 33 HA SER 33 -15.828 -2.612 3.520 256 HB2 SER 33 HB2 SER 33 -17.785 -0.399 4.032 257 HB3 SER 33 HB3 SER 33 -18.083 -2.122 3.800 258 HG SER 33 HG SER 33 -18.028 -0.912 6.055 259 H LEU 34 H LEU 34 -15.241 0.805 3.232 260 HA LEU 34 HA LEU 34 -16.556 1.385 0.848 261 HB2 LEU 34 HB2 LEU 34 -15.083 2.804 2.626 262 HB3 LEU 34 HB3 LEU 34 -13.960 2.719 1.286 263 HG LEU 34 HG LEU 34 -15.222 4.783 1.179 264 HD11 LEU 34 HD11 LEU 34 -14.610 3.777 -0.944 265 HD12 LEU 34 HD12 LEU 34 -16.158 4.611 -1.073 266 HD13 LEU 34 HD13 LEU 34 -16.112 2.851 -0.956 267 HD21 LEU 34 HD21 LEU 34 -17.194 4.101 2.411 268 HD22 LEU 34 HD22 LEU 34 -17.671 3.028 1.094 269 HD23 LEU 34 HD23 LEU 34 -17.649 4.774 0.847 270 H PHE 35 H PHE 35 -13.119 0.479 1.300 271 HA PHE 35 HA PHE 35 -12.880 0.215 -1.579 272 HB2 PHE 35 HB2 PHE 35 -10.469 -0.259 -1.116 273 HB3 PHE 35 HB3 PHE 35 -11.030 1.307 -0.554 274 HD1 PHE 35 HD1 PHE 35 -10.263 -2.141 0.594 275 HD2 PHE 35 HD2 PHE 35 -10.720 1.955 1.655 276 HE1 PHE 35 HE1 PHE 35 -9.343 -2.620 2.826 277 HE2 PHE 35 HE2 PHE 35 -9.807 1.480 3.889 278 HZ PHE 35 HZ PHE 35 -9.114 -0.803 4.474 279 H GLU 36 H GLU 36 -13.468 -1.812 1.117 280 HA GLU 36 HA GLU 36 -12.488 -4.266 0.199 281 HB2 GLU 36 HB2 GLU 36 -13.517 -3.761 2.460 282 HB3 GLU 36 HB3 GLU 36 -15.091 -3.848 1.687 283 HG2 GLU 36 HG2 GLU 36 -13.123 -6.124 1.679 284 HG3 GLU 36 HG3 GLU 36 -14.342 -5.901 2.930 285 H ALA 37 H ALA 37 -15.673 -2.769 -0.264 286 HA ALA 37 HA ALA 37 -16.647 -4.746 -2.043 287 HB1 ALA 37 HB1 ALA 37 -18.484 -3.233 -2.446 288 HB2 ALA 37 HB2 ALA 37 -17.579 -1.895 -1.741 289 HB3 ALA 37 HB3 ALA 37 -18.094 -3.241 -0.727 290 H GLY 38 H GLY 38 -14.369 -2.294 -2.466 291 HA2 GLY 38 HA2 GLY 38 -14.956 -1.611 -5.182 292 HA3 GLY 38 HA3 GLY 38 -13.466 -1.260 -4.317 293 H TYR 39 H TYR 39 -12.309 -3.551 -3.741 294 HA TYR 39 HA TYR 39 -11.544 -4.532 -6.326 295 HB2 TYR 39 HB2 TYR 39 -9.967 -5.998 -5.076 296 HB3 TYR 39 HB3 TYR 39 -9.801 -4.295 -4.687 297 HD1 TYR 39 HD1 TYR 39 -11.341 -7.456 -3.428 298 HD2 TYR 39 HD2 TYR 39 -9.825 -3.597 -2.479 299 HE1 TYR 39 HE1 TYR 39 -11.517 -7.980 -1.033 300 HE2 TYR 39 HE2 TYR 39 -9.996 -4.111 -0.082 301 HH TYR 39 HH TYR 39 -10.618 -7.279 1.082 302 H HIS 40 H HIS 40 -13.801 -5.443 -3.972 303 HA HIS 40 HA HIS 40 -13.952 -8.225 -4.453 304 HB2 HIS 40 HB2 HIS 40 -14.983 -6.699 -2.562 305 HB3 HIS 40 HB3 HIS 40 -16.351 -6.609 -3.661 306 HD1 HIS 40 HD1 HIS 40 -15.373 -8.360 -0.814 307 HD2 HIS 40 HD2 HIS 40 -17.008 -9.552 -4.461 308 HE1 HIS 40 HE1 HIS 40 -16.398 -10.625 -0.401 309 HE2 HIS 40 HE2 HIS 40 -17.254 -11.387 -2.643 310 H ASP 41 H ASP 41 -15.252 -5.418 -6.063 311 HA ASP 41 HA ASP 41 -17.101 -7.066 -7.627 312 HB2 ASP 41 HB2 ASP 41 -17.930 -5.021 -6.440 313 HB3 ASP 41 HB3 ASP 41 -16.919 -4.049 -7.503 314 H ILE 42 H ILE 42 -14.182 -5.188 -7.963 315 HA ILE 42 HA ILE 42 -14.479 -5.023 -10.861 316 HB ILE 42 HB ILE 42 -12.456 -3.671 -10.850 317 HG12 ILE 42 HG12 ILE 42 -12.426 -4.135 -7.854 318 HG13 ILE 42 HG13 ILE 42 -11.290 -4.834 -9.002 319 HG21 ILE 42 HG21 ILE 42 -13.313 -1.772 -9.535 320 HG22 ILE 42 HG22 ILE 42 -14.464 -2.855 -8.753 321 HG23 ILE 42 HG23 ILE 42 -14.571 -2.558 -10.488 322 HD11 ILE 42 HD11 ILE 42 -10.517 -2.579 -9.583 323 HD12 ILE 42 HD12 ILE 42 -10.292 -2.949 -7.873 324 HD13 ILE 42 HD13 ILE 42 -11.620 -1.905 -8.384 325 H LEU 43 H LEU 43 -13.684 -7.507 -9.077 326 HA LEU 43 HA LEU 43 -11.061 -8.227 -9.829 327 HB2 LEU 43 HB2 LEU 43 -12.324 -9.243 -7.961 328 HB3 LEU 43 HB3 LEU 43 -13.380 -10.028 -9.122 329 HG LEU 43 HG LEU 43 -11.438 -11.297 -9.993 330 HD11 LEU 43 HD11 LEU 43 -9.676 -9.718 -9.410 331 HD12 LEU 43 HD12 LEU 43 -9.346 -11.311 -8.728 332 HD13 LEU 43 HD13 LEU 43 -9.960 -10.019 -7.694 333 HD21 LEU 43 HD21 LEU 43 -11.216 -12.792 -8.069 334 HD22 LEU 43 HD22 LEU 43 -12.885 -12.274 -8.292 335 HD23 LEU 43 HD23 LEU 43 -11.900 -11.550 -7.021 336 H GLN 44 H GLN 44 -14.054 -8.316 -11.526 337 HA GLN 44 HA GLN 44 -13.503 -10.405 -13.337 338 HB2 GLN 44 HB2 GLN 44 -15.438 -8.120 -13.343 339 HB3 GLN 44 HB3 GLN 44 -15.258 -9.128 -14.770 340 HG2 GLN 44 HG2 GLN 44 -17.002 -10.154 -13.704 341 HG3 GLN 44 HG3 GLN 44 -15.635 -11.088 -13.110 342 HE21 GLN 44 HE21 GLN 44 -18.259 -10.735 -11.956 343 HE22 GLN 44 HE22 GLN 44 -18.019 -10.056 -10.379 344 H LEU 45 H LEU 45 -12.158 -7.281 -13.157 345 HA LEU 45 HA LEU 45 -11.639 -6.887 -15.921 346 HB2 LEU 45 HB2 LEU 45 -11.440 -5.082 -14.264 347 HB3 LEU 45 HB3 LEU 45 -10.086 -5.911 -13.518 348 HG LEU 45 HG LEU 45 -8.769 -5.614 -15.576 349 HD11 LEU 45 HD11 LEU 45 -10.535 -5.599 -17.219 350 HD12 LEU 45 HD12 LEU 45 -9.618 -4.097 -17.332 351 HD13 LEU 45 HD13 LEU 45 -11.196 -4.112 -16.544 352 HD21 LEU 45 HD21 LEU 45 -9.976 -3.061 -14.513 353 HD22 LEU 45 HD22 LEU 45 -8.453 -3.195 -15.395 354 HD23 LEU 45 HD23 LEU 45 -8.623 -3.942 -13.807 355 H LEU 46 H LEU 46 -9.839 -8.427 -13.302 356 HA LEU 46 HA LEU 46 -7.712 -9.281 -15.061 357 HB2 LEU 46 HB2 LEU 46 -8.327 -9.563 -12.154 358 HB3 LEU 46 HB3 LEU 46 -7.220 -10.710 -12.877 359 HG LEU 46 HG LEU 46 -6.046 -8.853 -11.782 360 HD11 LEU 46 HD11 LEU 46 -5.778 -8.933 -14.780 361 HD12 LEU 46 HD12 LEU 46 -4.957 -9.970 -13.614 362 HD13 LEU 46 HD13 LEU 46 -4.588 -8.247 -13.672 363 HD21 LEU 46 HD21 LEU 46 -6.110 -6.608 -12.768 364 HD22 LEU 46 HD22 LEU 46 -7.674 -7.079 -12.105 365 HD23 LEU 46 HD23 LEU 46 -7.405 -7.124 -13.848 366 H ALA 47 H ALA 47 -10.503 -10.694 -13.444 367 HA ALA 47 HA ALA 47 -9.992 -13.379 -14.234 368 HB1 ALA 47 HB1 ALA 47 -11.393 -12.785 -12.302 369 HB2 ALA 47 HB2 ALA 47 -12.236 -13.841 -13.434 370 HB3 ALA 47 HB3 ALA 47 -12.602 -12.116 -13.398 371 H GLY 48 H GLY 48 -11.261 -10.668 -15.885 372 HA2 GLY 48 HA2 GLY 48 -12.925 -11.960 -17.766 373 HA3 GLY 48 HA3 GLY 48 -12.138 -10.402 -17.986 374 H GLN 49 H GLN 49 -9.543 -10.909 -18.019 375 HA GLN 49 HA GLN 49 -9.185 -12.221 -20.544 376 HB2 GLN 49 HB2 GLN 49 -7.193 -11.001 -18.632 377 HB3 GLN 49 HB3 GLN 49 -6.799 -11.599 -20.237 378 HG2 GLN 49 HG2 GLN 49 -8.209 -9.929 -21.247 379 HG3 GLN 49 HG3 GLN 49 -8.740 -9.377 -19.657 380 HE21 GLN 49 HE21 GLN 49 -7.978 -7.292 -20.053 381 HE22 GLN 49 HE22 GLN 49 -6.285 -6.925 -20.047 382 H GLY 50 H GLY 50 -8.392 -12.900 -17.184 383 HA2 GLY 50 HA2 GLY 50 -8.413 -15.221 -16.474 384 HA3 GLY 50 HA3 GLY 50 -7.681 -15.638 -18.015 385 H LYS 51 H LYS 51 -6.869 -13.174 -15.573 386 HA LYS 51 HA LYS 51 -4.514 -14.672 -14.812 387 HB2 LYS 51 HB2 LYS 51 -2.954 -12.784 -15.150 388 HB3 LYS 51 HB3 LYS 51 -3.581 -13.418 -16.661 389 HG2 LYS 51 HG2 LYS 51 -4.849 -11.037 -15.374 390 HG3 LYS 51 HG3 LYS 51 -3.381 -10.869 -16.338 391 HD2 LYS 51 HD2 LYS 51 -5.923 -12.166 -17.306 392 HD3 LYS 51 HD3 LYS 51 -5.480 -10.485 -17.612 393 HE2 LYS 51 HE2 LYS 51 -3.635 -12.729 -18.354 394 HE3 LYS 51 HE3 LYS 51 -4.962 -12.260 -19.415 395 HZ1 LYS 51 HZ1 LYS 51 -4.045 -9.991 -19.434 396 HZ2 LYS 51 HZ2 LYS 51 -2.958 -11.125 -20.062 397 HZ3 LYS 51 HZ3 LYS 51 -2.728 -10.515 -18.495 398 H SER 52 H SER 52 -3.225 -12.970 -13.222 399 HA SER 52 HA SER 52 -5.123 -11.643 -11.486 400 HB2 SER 52 HB2 SER 52 -4.286 -13.122 -9.538 401 HB3 SER 52 HB3 SER 52 -5.477 -13.816 -10.637 402 HG SER 52 HG SER 52 -2.664 -14.190 -10.880 403 HA PRO 53 HA PRO 53 -1.839 -8.986 -10.098 404 HB2 PRO 53 HB2 PRO 53 -1.665 -9.816 -7.386 405 HB3 PRO 53 HB3 PRO 53 -2.541 -8.428 -8.030 406 HG2 PRO 53 HG2 PRO 53 -3.536 -11.127 -7.317 407 HG3 PRO 53 HG3 PRO 53 -4.375 -9.566 -7.284 408 HD2 PRO 53 HD2 PRO 53 -4.900 -11.384 -9.175 409 HD3 PRO 53 HD3 PRO 53 -4.878 -9.647 -9.550 410 H SER 54 H SER 54 0.299 -9.101 -10.235 411 HA SER 54 HA SER 54 1.572 -11.721 -10.021 412 HB2 SER 54 HB2 SER 54 1.811 -10.278 -12.087 413 HB3 SER 54 HB3 SER 54 2.747 -9.151 -11.109 414 HG SER 54 HG SER 54 3.858 -11.453 -10.661 415 H GLY 55 H GLY 55 0.818 -10.089 -7.685 416 HA2 GLY 55 HA2 GLY 55 3.075 -10.503 -6.078 417 HA3 GLY 55 HA3 GLY 55 3.016 -8.799 -6.522 418 HA PRO 56 HA PRO 56 0.158 -9.595 -2.902 419 HB2 PRO 56 HB2 PRO 56 1.452 -8.165 -1.018 420 HB3 PRO 56 HB3 PRO 56 1.867 -9.846 -1.366 421 HG2 PRO 56 HG2 PRO 56 3.226 -7.334 -2.253 422 HG3 PRO 56 HG3 PRO 56 3.939 -8.857 -1.688 423 HD2 PRO 56 HD2 PRO 56 3.715 -8.164 -4.328 424 HD3 PRO 56 HD3 PRO 56 3.770 -9.840 -3.749 425 HA PRO 57 HA PRO 57 -1.846 -5.716 -3.650 426 HB2 PRO 57 HB2 PRO 57 -3.606 -5.674 -1.592 427 HB3 PRO 57 HB3 PRO 57 -3.780 -6.758 -2.977 428 HG2 PRO 57 HG2 PRO 57 -2.694 -7.329 -0.248 429 HG3 PRO 57 HG3 PRO 57 -3.768 -8.317 -1.254 430 HD2 PRO 57 HD2 PRO 57 -1.098 -8.775 -1.028 431 HD3 PRO 57 HD3 PRO 57 -2.029 -9.169 -2.487 432 H PHE 58 H PHE 58 -2.285 -3.587 -2.715 433 HA PHE 58 HA PHE 58 -0.330 -2.952 -0.594 434 HB2 PHE 58 HB2 PHE 58 -1.294 -1.075 -2.757 435 HB3 PHE 58 HB3 PHE 58 0.060 -0.842 -1.659 436 HD1 PHE 58 HD2 PHE 58 2.074 -2.388 -1.910 437 HD2 PHE 58 HD1 PHE 58 -0.981 -2.040 -4.852 438 HE1 PHE 58 HE2 PHE 58 3.595 -3.328 -3.599 439 HE2 PHE 58 HE1 PHE 58 0.539 -2.974 -6.545 440 HZ PHE 58 HZ PHE 58 2.829 -3.622 -5.919 441 H ALA 59 H ALA 59 -0.909 -0.648 0.306 442 HA ALA 59 HA ALA 59 -3.709 0.054 0.279 443 HB1 ALA 59 HB1 ALA 59 -3.682 -1.617 2.069 444 HB2 ALA 59 HB2 ALA 59 -3.964 -0.005 2.724 445 HB3 ALA 59 HB3 ALA 59 -2.373 -0.750 2.871 446 H ARG 60 H ARG 60 -3.923 2.267 0.603 447 HA ARG 60 HA ARG 60 -1.772 3.641 1.975 448 HB2 ARG 60 HB2 ARG 60 -1.605 5.358 0.140 449 HB3 ARG 60 HB3 ARG 60 -0.885 3.791 -0.195 450 HG2 ARG 60 HG2 ARG 60 -2.865 3.186 -1.513 451 HG3 ARG 60 HG3 ARG 60 -3.530 4.797 -1.216 452 HD2 ARG 60 HD2 ARG 60 -1.745 5.837 -2.384 453 HD3 ARG 60 HD3 ARG 60 -0.839 4.329 -2.475 454 HE ARG 60 HE ARG 60 -3.323 4.020 -3.770 455 HH11 ARG 60 HH11 ARG 60 -0.269 5.703 -4.149 456 HH12 ARG 60 HH12 ARG 60 -0.306 5.623 -5.891 457 HH21 ARG 60 HH21 ARG 60 -3.364 3.937 -6.073 458 HH22 ARG 60 HH22 ARG 60 -2.048 4.631 -6.971 459 H TYR 61 H TYR 61 -2.324 5.375 3.041 460 HA TYR 61 HA TYR 61 -5.121 6.267 2.877 461 HB2 TYR 61 HB2 TYR 61 -3.124 6.588 5.130 462 HB3 TYR 61 HB3 TYR 61 -4.792 7.140 5.156 463 HD1 TYR 61 HD2 TYR 61 -6.083 4.713 3.894 464 HD2 TYR 61 HD1 TYR 61 -3.115 5.078 6.922 465 HE1 TYR 61 HE2 TYR 61 -6.784 2.552 4.835 466 HE2 TYR 61 HE1 TYR 61 -3.807 2.917 7.868 467 HH TYR 61 HH TYR 61 -5.624 0.710 6.276 468 H PHE 62 H PHE 62 -5.550 8.267 2.209 469 HA PHE 62 HA PHE 62 -3.284 10.111 1.881 470 HB2 PHE 62 HB2 PHE 62 -5.941 10.030 0.438 471 HB3 PHE 62 HB3 PHE 62 -4.735 11.294 0.235 472 HD1 PHE 62 HD2 PHE 62 -2.673 10.865 -0.955 473 HD2 PHE 62 HD1 PHE 62 -5.624 7.836 -0.495 474 HE1 PHE 62 HE2 PHE 62 -1.595 9.552 -2.735 475 HE2 PHE 62 HE1 PHE 62 -4.559 6.520 -2.274 476 HZ PHE 62 HZ PHE 62 -2.541 7.377 -3.397 477 H GLY 63 H GLY 63 -3.204 11.144 3.772 478 HA2 GLY 63 HA2 GLY 63 -5.564 12.783 4.464 479 HA3 GLY 63 HA3 GLY 63 -4.402 12.209 5.656 480 H MET 64 H MET 64 -3.501 13.331 2.493 481 HA MET 64 HA MET 64 -1.700 15.275 3.623 482 HB2 MET 64 HB2 MET 64 -2.331 14.598 0.741 483 HB3 MET 64 HB3 MET 64 -1.026 15.648 1.269 484 HG2 MET 64 HG2 MET 64 0.120 13.831 2.303 485 HG3 MET 64 HG3 MET 64 -1.255 12.756 2.060 486 HE1 MET 64 HE1 MET 64 1.478 14.318 -1.316 487 HE2 MET 64 HE2 MET 64 1.771 14.598 0.398 488 HE3 MET 64 HE3 MET 64 0.400 15.371 -0.398 489 H SER 65 H SER 65 -4.211 15.501 1.105 490 HA SER 65 HA SER 65 -5.389 17.822 2.289 491 HB2 SER 65 HB2 SER 65 -4.955 19.253 0.214 492 HB3 SER 65 HB3 SER 65 -3.590 19.029 1.308 493 HG SER 65 HG SER 65 -2.636 18.468 -0.506 494 H ALA 66 H ALA 66 -7.481 17.390 2.013 495 HA ALA 66 HA ALA 66 -8.654 17.033 -0.554 496 HB1 ALA 66 HB1 ALA 66 -9.458 14.747 -0.345 497 HB2 ALA 66 HB2 ALA 66 -8.592 14.565 1.180 498 HB3 ALA 66 HB3 ALA 66 -7.695 14.784 -0.322 499 H GLY 67 H GLY 67 -8.850 17.049 2.903 500 HA2 GLY 67 HA2 GLY 67 -10.635 17.884 4.188 501 HA3 GLY 67 HA3 GLY 67 -11.684 17.752 2.778 502 H THR 68 H THR 68 -12.270 15.564 2.081 503 HA THR 68 HA THR 68 -12.951 13.796 4.202 504 HB THR 68 HB THR 68 -12.863 13.261 1.216 505 HG1 THR 68 HG1 THR 68 -14.805 14.175 1.102 506 HG21 THR 68 HG21 THR 68 -13.024 11.214 2.571 507 HG22 THR 68 HG22 THR 68 -14.502 11.516 1.659 508 HG23 THR 68 HG23 THR 68 -14.442 11.873 3.385 509 H PHE 69 H PHE 69 -12.084 11.637 4.548 510 HA PHE 69 HA PHE 69 -9.214 11.588 4.257 511 HB2 PHE 69 HB2 PHE 69 -10.435 10.826 6.317 512 HB3 PHE 69 HB3 PHE 69 -11.006 9.442 5.394 513 HD1 PHE 69 HD1 PHE 69 -7.923 11.151 6.545 514 HD2 PHE 69 HD2 PHE 69 -9.704 7.512 5.243 515 HE1 PHE 69 HE1 PHE 69 -5.866 9.937 7.134 516 HE2 PHE 69 HE2 PHE 69 -7.649 6.292 5.826 517 HZ PHE 69 HZ PHE 69 -5.726 7.508 6.775 518 H GLU 70 H GLU 70 -8.227 10.806 2.553 519 HA GLU 70 HA GLU 70 -9.821 9.265 0.631 520 HB2 GLU 70 HB2 GLU 70 -8.650 11.365 -0.079 521 HB3 GLU 70 HB3 GLU 70 -7.117 10.582 0.271 522 HG2 GLU 70 HG2 GLU 70 -7.226 10.222 -1.959 523 HG3 GLU 70 HG3 GLU 70 -8.044 8.769 -1.392 524 H VAL 71 H VAL 71 -9.047 7.316 -0.255 525 HA VAL 71 HA VAL 71 -6.696 6.080 0.946 526 HB VAL 71 HB VAL 71 -7.897 4.016 1.530 527 HG11 VAL 71 HG11 VAL 71 -9.037 4.796 3.555 528 HG12 VAL 71 HG12 VAL 71 -8.997 6.445 2.930 529 HG13 VAL 71 HG13 VAL 71 -7.491 5.607 3.307 530 HG21 VAL 71 HG21 VAL 71 -10.342 3.985 1.668 531 HG22 VAL 71 HG22 VAL 71 -9.778 4.214 0.011 532 HG23 VAL 71 HG23 VAL 71 -10.397 5.586 0.931 533 H GLU 72 H GLU 72 -6.212 3.978 -0.071 534 HA GLU 72 HA GLU 72 -7.779 2.956 -2.193 535 HB2 GLU 72 HB2 GLU 72 -6.818 4.817 -3.460 536 HB3 GLU 72 HB3 GLU 72 -5.196 4.312 -2.998 537 HG2 GLU 72 HG2 GLU 72 -5.938 3.674 -5.314 538 HG3 GLU 72 HG3 GLU 72 -5.318 2.362 -4.313 539 H PHE 73 H PHE 73 -7.354 0.842 -2.397 540 HA PHE 73 HA PHE 73 -5.191 -0.293 -0.890 541 HB2 PHE 73 HB2 PHE 73 -6.064 -2.479 -1.874 542 HB3 PHE 73 HB3 PHE 73 -7.176 -1.581 -0.852 543 HD1 PHE 73 HD1 PHE 73 -9.041 -0.304 -1.892 544 HD2 PHE 73 HD2 PHE 73 -6.562 -2.933 -4.140 545 HE1 PHE 73 HE1 PHE 73 -10.732 -0.370 -3.676 546 HE2 PHE 73 HE2 PHE 73 -8.246 -2.996 -5.929 547 HZ PHE 73 HZ PHE 73 -10.334 -1.717 -5.697 548 H GLY 74 H GLY 74 -6.073 -0.296 -4.363 549 HA2 GLY 74 HA2 GLY 74 -4.758 -0.562 -6.228 550 HA3 GLY 74 HA3 GLY 74 -3.390 -0.070 -5.240 551 H PHE 75 H PHE 75 -4.445 -2.499 -7.152 552 HA PHE 75 HA PHE 75 -2.712 -4.389 -5.697 553 HB2 PHE 75 HB2 PHE 75 -4.023 -6.264 -6.655 554 HB3 PHE 75 HB3 PHE 75 -4.967 -5.257 -5.567 555 HD1 PHE 75 HD1 PHE 75 -6.701 -3.757 -6.465 556 HD2 PHE 75 HD2 PHE 75 -4.576 -6.474 -8.957 557 HE1 PHE 75 HE1 PHE 75 -8.437 -3.523 -8.194 558 HE2 PHE 75 HE2 PHE 75 -6.304 -6.245 -10.688 559 HZ PHE 75 HZ PHE 75 -8.240 -4.768 -10.310 560 HA PRO 76 HA PRO 76 -0.231 -4.197 -9.283 561 HB2 PRO 76 HB2 PRO 76 1.251 -6.431 -8.986 562 HB3 PRO 76 HB3 PRO 76 1.433 -5.027 -7.929 563 HG2 PRO 76 HG2 PRO 76 -0.045 -7.582 -7.448 564 HG3 PRO 76 HG3 PRO 76 0.993 -6.664 -6.343 565 HD2 PRO 76 HD2 PRO 76 -1.731 -6.551 -6.289 566 HD3 PRO 76 HD3 PRO 76 -0.688 -5.210 -5.776 567 H VAL 77 H VAL 77 0.104 -5.079 -11.334 568 HA VAL 77 HA VAL 77 -1.729 -7.284 -12.046 569 HB VAL 77 HB VAL 77 -0.817 -5.274 -14.071 570 HG11 VAL 77 HG11 VAL 77 -2.054 -7.253 -14.784 571 HG12 VAL 77 HG12 VAL 77 -2.964 -5.773 -15.090 572 HG13 VAL 77 HG13 VAL 77 -3.386 -6.802 -13.721 573 HG21 VAL 77 HG21 VAL 77 -2.692 -3.810 -13.579 574 HG22 VAL 77 HG22 VAL 77 -1.623 -3.926 -12.181 575 HG23 VAL 77 HG23 VAL 77 -3.142 -4.821 -12.206 576 H GLU 78 H GLU 78 -0.902 -8.171 -14.371 577 HA GLU 78 HA GLU 78 1.833 -9.003 -13.826 578 HB2 GLU 78 HB2 GLU 78 1.168 -10.520 -15.942 579 HB3 GLU 78 HB3 GLU 78 0.810 -10.957 -14.281 580 HG2 GLU 78 HG2 GLU 78 -1.145 -11.356 -15.538 581 HG3 GLU 78 HG3 GLU 78 -1.443 -9.908 -14.582 582 H GLY 79 H GLY 79 -0.017 -7.278 -16.269 583 HA2 GLY 79 HA2 GLY 79 1.424 -5.382 -17.132 584 HA3 GLY 79 HA3 GLY 79 2.563 -6.641 -17.575 585 H GLY 80 H GLY 80 -0.652 -7.628 -17.984 586 HA2 GLY 80 HA2 GLY 80 -0.609 -6.759 -20.812 587 HA3 GLY 80 HA3 GLY 80 -0.986 -8.419 -20.370 588 H VAL 81 H VAL 81 -2.052 -5.817 -18.368 589 HA VAL 81 HA VAL 81 -4.792 -6.130 -19.402 590 HB VAL 81 HB VAL 81 -4.044 -5.785 -16.490 591 HG11 VAL 81 HG11 VAL 81 -6.373 -6.247 -16.022 592 HG12 VAL 81 HG12 VAL 81 -6.705 -6.394 -17.748 593 HG13 VAL 81 HG13 VAL 81 -6.219 -4.839 -17.074 594 HG21 VAL 81 HG21 VAL 81 -3.386 -7.992 -17.229 595 HG22 VAL 81 HG22 VAL 81 -4.971 -8.247 -17.956 596 HG23 VAL 81 HG23 VAL 81 -4.817 -8.108 -16.205 597 H GLU 82 H GLU 82 -6.174 -4.271 -18.966 598 HA GLU 82 HA GLU 82 -4.690 -1.743 -18.734 599 HB2 GLU 82 HB2 GLU 82 -5.171 -2.219 -21.100 600 HB3 GLU 82 HB3 GLU 82 -6.875 -2.411 -20.721 601 HG2 GLU 82 HG2 GLU 82 -6.858 -0.025 -19.934 602 HG3 GLU 82 HG3 GLU 82 -5.237 0.105 -20.620 603 H GLY 83 H GLY 83 -5.611 -0.277 -17.393 604 HA2 GLY 83 HA2 GLY 83 -7.676 -0.895 -15.649 605 HA3 GLY 83 HA3 GLY 83 -7.132 0.738 -16.006 606 H SER 84 H SER 84 -9.766 -1.139 -15.917 607 HA SER 84 HA SER 84 -11.198 0.502 -17.859 608 HB2 SER 84 HB2 SER 84 -11.410 -2.522 -17.770 609 HB3 SER 84 HB3 SER 84 -12.342 -1.445 -18.810 610 HG SER 84 HG SER 84 -9.523 -1.833 -18.838 611 H GLY 85 H GLY 85 -13.427 0.715 -17.386 612 HA2 GLY 85 HA2 GLY 85 -15.319 0.661 -16.065 613 HA3 GLY 85 HA3 GLY 85 -14.594 -0.656 -15.152 614 H ARG 86 H ARG 86 -13.564 2.682 -15.751 615 HA ARG 86 HA ARG 86 -13.253 4.479 -14.400 616 HB2 ARG 86 HB2 ARG 86 -15.405 3.469 -13.260 617 HB3 ARG 86 HB3 ARG 86 -14.281 3.058 -11.975 618 HG2 ARG 86 HG2 ARG 86 -14.588 5.847 -13.048 619 HG3 ARG 86 HG3 ARG 86 -15.545 5.216 -11.712 620 HD2 ARG 86 HD2 ARG 86 -12.855 4.629 -11.123 621 HD3 ARG 86 HD3 ARG 86 -12.895 6.298 -11.692 622 HE ARG 86 HE ARG 86 -14.685 5.348 -9.542 623 HH11 ARG 86 HH11 ARG 86 -12.297 7.616 -10.769 624 HH12 ARG 86 HH12 ARG 86 -12.431 8.675 -9.390 625 HH21 ARG 86 HH21 ARG 86 -14.860 6.724 -7.760 626 HH22 ARG 86 HH22 ARG 86 -13.899 8.171 -7.678 627 H VAL 87 H VAL 87 -12.392 1.337 -13.043 628 HA VAL 87 HA VAL 87 -10.230 2.339 -11.443 629 HB VAL 87 HB VAL 87 -10.557 -0.487 -12.458 630 HG11 VAL 87 HG11 VAL 87 -8.434 0.009 -11.367 631 HG12 VAL 87 HG12 VAL 87 -9.407 -1.091 -10.390 632 HG13 VAL 87 HG13 VAL 87 -9.295 0.613 -9.950 633 HG21 VAL 87 HG21 VAL 87 -12.677 0.198 -11.501 634 HG22 VAL 87 HG22 VAL 87 -11.860 0.769 -10.047 635 HG23 VAL 87 HG23 VAL 87 -11.868 -0.951 -10.436 636 H VAL 88 H VAL 88 -8.090 2.608 -12.046 637 HA VAL 88 HA VAL 88 -7.510 2.033 -14.882 638 HB VAL 88 HB VAL 88 -6.226 4.167 -14.979 639 HG11 VAL 88 HG11 VAL 88 -8.193 5.620 -15.210 640 HG12 VAL 88 HG12 VAL 88 -9.171 4.412 -14.376 641 HG13 VAL 88 HG13 VAL 88 -8.448 4.037 -15.940 642 HG21 VAL 88 HG21 VAL 88 -7.603 4.718 -12.354 643 HG22 VAL 88 HG22 VAL 88 -6.694 5.895 -13.302 644 HG23 VAL 88 HG23 VAL 88 -5.870 4.505 -12.598 645 H THR 89 H THR 89 -5.256 1.933 -15.453 646 HA THR 89 HA THR 89 -3.637 0.605 -13.492 647 HB THR 89 HB THR 89 -2.342 1.559 -15.968 648 HG1 THR 89 HG1 THR 89 -3.644 0.574 -17.367 649 HG21 THR 89 HG21 THR 89 -1.600 -0.766 -16.082 650 HG22 THR 89 HG22 THR 89 -2.680 -1.186 -14.753 651 HG23 THR 89 HG23 THR 89 -1.321 -0.099 -14.473 652 H GLY 90 H GLY 90 -1.717 1.371 -12.576 653 HA2 GLY 90 HA2 GLY 90 -0.749 4.015 -13.229 654 HA3 GLY 90 HA3 GLY 90 -1.506 3.895 -11.645 655 H LEU 91 H LEU 91 1.113 4.622 -11.887 656 HA LEU 91 HA LEU 91 2.628 2.234 -11.131 657 HB2 LEU 91 HB2 LEU 91 3.405 4.971 -12.060 658 HB3 LEU 91 HB3 LEU 91 4.533 4.050 -11.089 659 HG LEU 91 HG LEU 91 5.059 3.810 -13.438 660 HD11 LEU 91 HD11 LEU 91 5.016 1.370 -13.620 661 HD12 LEU 91 HD12 LEU 91 3.871 1.297 -12.281 662 HD13 LEU 91 HD13 LEU 91 5.504 1.912 -12.015 663 HD21 LEU 91 HD21 LEU 91 3.532 2.737 -14.998 664 HD22 LEU 91 HD22 LEU 91 2.844 4.232 -14.364 665 HD23 LEU 91 HD23 LEU 91 2.286 2.676 -13.751 666 H THR 92 H THR 92 3.756 2.160 -9.188 667 HA THR 92 HA THR 92 2.543 3.555 -6.988 668 HB THR 92 HB THR 92 4.326 2.221 -5.692 669 HG1 THR 92 HG1 THR 92 5.724 1.152 -6.872 670 HG21 THR 92 HG21 THR 92 2.308 0.758 -7.402 671 HG22 THR 92 HG22 THR 92 2.000 1.495 -5.830 672 HG23 THR 92 HG23 THR 92 3.081 0.107 -5.956 673 HA PRO 93 HA PRO 93 5.387 6.896 -6.352 674 HB2 PRO 93 HB2 PRO 93 5.870 5.831 -3.616 675 HB3 PRO 93 HB3 PRO 93 5.361 7.445 -4.120 676 HG2 PRO 93 HG2 PRO 93 3.617 5.754 -3.034 677 HG3 PRO 93 HG3 PRO 93 3.146 6.812 -4.378 678 HD2 PRO 93 HD2 PRO 93 3.772 3.891 -4.395 679 HD3 PRO 93 HD3 PRO 93 2.550 4.792 -5.316 680 H SER 94 H SER 94 7.390 6.992 -7.119 681 HA SER 94 HA SER 94 9.236 4.794 -6.532 682 HB2 SER 94 HB2 SER 94 10.484 5.985 -8.529 683 HB3 SER 94 HB3 SER 94 9.109 4.921 -8.840 684 HG SER 94 HG SER 94 9.374 7.603 -9.280 685 H GLY 95 H GLY 95 11.058 5.121 -5.421 686 HA2 GLY 95 HA2 GLY 95 12.892 6.930 -5.165 687 HA3 GLY 95 HA3 GLY 95 11.572 7.842 -4.441 688 H LYS 96 H LYS 96 12.515 7.945 -2.403 689 HA LYS 96 HA LYS 96 12.853 5.376 -1.009 690 HB2 LYS 96 HB2 LYS 96 13.754 8.151 -0.200 691 HB3 LYS 96 HB3 LYS 96 14.020 6.685 0.731 692 HG2 LYS 96 HG2 LYS 96 15.140 7.280 -1.997 693 HG3 LYS 96 HG3 LYS 96 16.020 7.332 -0.469 694 HD2 LYS 96 HD2 LYS 96 15.546 4.923 -0.158 695 HD3 LYS 96 HD3 LYS 96 14.772 4.900 -1.745 696 HE2 LYS 96 HE2 LYS 96 17.655 5.565 -1.159 697 HE3 LYS 96 HE3 LYS 96 17.051 4.088 -1.907 698 HZ1 LYS 96 HZ1 LYS 96 16.869 6.830 -3.050 699 HZ2 LYS 96 HZ2 LYS 96 16.226 5.430 -3.764 700 HZ3 LYS 96 HZ3 LYS 96 17.901 5.590 -3.576 701 H ALA 97 H ALA 97 11.921 5.127 1.082 702 HA ALA 97 HA ALA 97 9.915 7.054 1.924 703 HB1 ALA 97 HB1 ALA 97 8.109 5.405 1.979 704 HB2 ALA 97 HB2 ALA 97 9.166 4.218 1.215 705 HB3 ALA 97 HB3 ALA 97 8.685 5.667 0.334 706 H ALA 98 H ALA 98 9.522 6.950 4.102 707 HA ALA 98 HA ALA 98 11.256 5.297 5.691 708 HB1 ALA 98 HB1 ALA 98 9.052 7.184 6.530 709 HB2 ALA 98 HB2 ALA 98 10.765 7.583 6.397 710 HB3 ALA 98 HB3 ALA 98 10.220 6.423 7.610 711 H SER 99 H SER 99 10.801 3.234 5.991 712 HA SER 99 HA SER 99 7.973 2.430 6.162 713 HB2 SER 99 HB2 SER 99 10.327 0.804 5.168 714 HB3 SER 99 HB3 SER 99 8.654 0.258 5.243 715 HG SER 99 HG SER 99 8.154 2.005 3.774 716 H SER 100 H SER 100 7.371 1.732 8.081 717 HA SER 100 HA SER 100 9.356 0.320 9.736 718 HB2 SER 100 HB2 SER 100 7.737 0.890 11.638 719 HB3 SER 100 HB3 SER 100 8.664 2.232 10.964 720 HG SER 100 HG SER 100 6.086 1.583 10.007 721 H LEU 101 H LEU 101 8.990 -1.795 10.054 722 HA LEU 101 HA LEU 101 6.457 -2.846 9.067 723 HB2 LEU 101 HB2 LEU 101 7.497 -4.968 8.816 724 HB3 LEU 101 HB3 LEU 101 8.539 -3.769 8.104 725 HG LEU 101 HG LEU 101 9.972 -5.308 9.116 726 HD11 LEU 101 HD11 LEU 101 10.623 -3.028 9.620 727 HD12 LEU 101 HD12 LEU 101 11.114 -4.141 10.896 728 HD13 LEU 101 HD13 LEU 101 9.715 -3.093 11.131 729 HD21 LEU 101 HD21 LEU 101 8.280 -5.222 11.606 730 HD22 LEU 101 HD22 LEU 101 9.775 -6.136 11.404 731 HD23 LEU 101 HD23 LEU 101 8.359 -6.538 10.433 732 H TYR 102 H TYR 102 5.081 -4.052 10.262 733 HA TYR 102 HA TYR 102 5.836 -4.625 13.026 734 HB2 TYR 102 HB2 TYR 102 3.773 -3.821 13.930 735 HB3 TYR 102 HB3 TYR 102 4.464 -2.521 12.972 736 HD1 TYR 102 HD2 TYR 102 3.445 -1.928 10.783 737 HD2 TYR 102 HD1 TYR 102 1.670 -4.790 13.384 738 HE1 TYR 102 HE2 TYR 102 1.318 -1.706 9.572 739 HE2 TYR 102 HE1 TYR 102 -0.463 -4.572 12.181 740 HH TYR 102 HH TYR 102 -0.729 -3.035 9.182 741 H ILE 103 H ILE 103 4.854 -6.427 13.903 742 HA ILE 103 HA ILE 103 3.317 -8.072 12.033 743 HB ILE 103 HB ILE 103 4.385 -10.056 13.158 744 HG12 ILE 103 HG12 ILE 103 5.314 -8.659 15.095 745 HG13 ILE 103 HG13 ILE 103 6.372 -9.884 14.409 746 HG21 ILE 103 HG21 ILE 103 4.981 -9.394 10.912 747 HG22 ILE 103 HG22 ILE 103 6.407 -9.977 11.772 748 HG23 ILE 103 HG23 ILE 103 6.163 -8.246 11.541 749 HD11 ILE 103 HD11 ILE 103 7.555 -8.155 13.151 750 HD12 ILE 103 HD12 ILE 103 7.581 -7.831 14.884 751 HD13 ILE 103 HD13 ILE 103 6.488 -6.928 13.835 752 H GLY 104 H GLY 104 1.365 -8.548 12.770 753 HA2 GLY 104 HA2 GLY 104 0.641 -9.651 15.149 754 HA3 GLY 104 HA3 GLY 104 0.634 -7.923 15.480 755 HA PRO 105 HA PRO 105 -3.492 -9.079 13.654 756 HB2 PRO 105 HB2 PRO 105 -5.012 -8.063 15.652 757 HB3 PRO 105 HB3 PRO 105 -4.384 -9.715 15.676 758 HG2 PRO 105 HG2 PRO 105 -3.355 -7.276 17.070 759 HG3 PRO 105 HG3 PRO 105 -3.500 -8.935 17.675 760 HD2 PRO 105 HD2 PRO 105 -1.157 -7.869 16.792 761 HD3 PRO 105 HD3 PRO 105 -1.537 -9.599 16.698 762 H TYR 106 H TYR 106 -5.178 -7.569 12.956 763 HA TYR 106 HA TYR 106 -4.018 -4.918 12.542 764 HB2 TYR 106 HB2 TYR 106 -4.891 -6.482 10.654 765 HB3 TYR 106 HB3 TYR 106 -6.488 -5.958 11.174 766 HD1 TYR 106 HD1 TYR 106 -3.303 -4.870 9.701 767 HD2 TYR 106 HD2 TYR 106 -7.297 -3.749 10.650 768 HE1 TYR 106 HE1 TYR 106 -3.076 -2.890 8.268 769 HE2 TYR 106 HE2 TYR 106 -7.079 -1.757 9.218 770 HH TYR 106 HH TYR 106 -5.228 -0.312 8.301 771 H GLY 107 H GLY 107 -4.902 -3.118 13.347 772 HA2 GLY 107 HA2 GLY 107 -7.414 -2.393 13.981 773 HA3 GLY 107 HA3 GLY 107 -6.968 -3.405 15.353 774 H GLU 108 H GLU 108 -4.903 -2.837 16.449 775 HA GLU 108 HA GLU 108 -4.713 0.030 16.806 776 HB2 GLU 108 HB2 GLU 108 -3.279 -2.259 18.159 777 HB3 GLU 108 HB3 GLU 108 -3.036 -0.566 18.566 778 HG2 GLU 108 HG2 GLU 108 -5.383 -0.373 19.189 779 HG3 GLU 108 HG3 GLU 108 -5.629 -2.070 18.782 780 H ILE 109 H ILE 109 -4.038 -0.006 14.416 781 HA ILE 109 HA ILE 109 -1.367 -0.810 13.803 782 HB ILE 109 HB ILE 109 -3.109 -0.722 12.069 783 HG12 ILE 109 HG12 ILE 109 -0.865 1.238 11.524 784 HG13 ILE 109 HG13 ILE 109 -0.713 -0.514 11.447 785 HG21 ILE 109 HG21 ILE 109 -4.320 1.245 12.889 786 HG22 ILE 109 HG22 ILE 109 -3.912 1.394 11.181 787 HG23 ILE 109 HG23 ILE 109 -2.976 2.274 12.389 788 HD11 ILE 109 HD11 ILE 109 -2.499 1.171 9.708 789 HD12 ILE 109 HD12 ILE 109 -2.309 -0.581 9.615 790 HD13 ILE 109 HD13 ILE 109 -0.949 0.476 9.238 791 H GLU 110 H GLU 110 -2.787 1.974 15.244 792 HA GLU 110 HA GLU 110 -0.907 3.926 14.508 793 HB2 GLU 110 HB2 GLU 110 -3.130 4.290 15.693 794 HB3 GLU 110 HB3 GLU 110 -2.297 3.855 17.182 795 HG2 GLU 110 HG2 GLU 110 -0.723 5.687 16.843 796 HG3 GLU 110 HG3 GLU 110 -1.542 6.115 15.345 797 H ALA 111 H ALA 111 -0.661 1.250 16.644 798 HA ALA 111 HA ALA 111 1.328 2.120 18.400 799 HB1 ALA 111 HB1 ALA 111 0.922 -0.661 17.318 800 HB2 ALA 111 HB2 ALA 111 0.060 0.044 18.684 801 HB3 ALA 111 HB3 ALA 111 1.800 -0.226 18.783 802 H VAL 112 H VAL 112 1.542 1.127 15.045 803 HA VAL 112 HA VAL 112 4.425 0.887 15.144 804 HB VAL 112 HB VAL 112 2.992 -0.444 13.552 805 HG11 VAL 112 HG11 VAL 112 2.321 0.587 11.449 806 HG12 VAL 112 HG12 VAL 112 2.840 2.162 12.051 807 HG13 VAL 112 HG13 VAL 112 1.494 1.323 12.822 808 HG21 VAL 112 HG21 VAL 112 5.401 -0.288 13.275 809 HG22 VAL 112 HG22 VAL 112 5.211 1.196 12.340 810 HG23 VAL 112 HG23 VAL 112 4.592 -0.328 11.709 811 H TYR 113 H TYR 113 2.051 3.320 14.386 812 HA TYR 113 HA TYR 113 3.847 5.194 13.198 813 HB2 TYR 113 HB2 TYR 113 1.193 5.632 14.586 814 HB3 TYR 113 HB3 TYR 113 2.065 6.858 13.677 815 HD1 TYR 113 HD2 TYR 113 2.422 6.477 11.180 816 HD2 TYR 113 HD1 TYR 113 -0.254 4.134 13.513 817 HE1 TYR 113 HE2 TYR 113 1.255 5.776 9.130 818 HE2 TYR 113 HE1 TYR 113 -1.424 3.425 11.473 819 HH TYR 113 HH TYR 113 -0.186 3.918 8.354 820 H ASP 114 H ASP 114 2.891 4.350 16.438 821 HA ASP 114 HA ASP 114 3.906 6.525 17.869 822 HB2 ASP 114 HB2 ASP 114 2.541 4.827 18.934 823 HB3 ASP 114 HB3 ASP 114 3.768 3.601 18.632 824 H ALA 115 H ALA 115 5.513 3.567 16.767 825 HA ALA 115 HA ALA 115 8.044 4.124 17.884 826 HB1 ALA 115 HB1 ALA 115 8.886 2.409 16.371 827 HB2 ALA 115 HB2 ALA 115 7.380 2.459 15.456 828 HB3 ALA 115 HB3 ALA 115 7.378 1.890 17.125 829 H LEU 116 H LEU 116 6.537 4.961 14.825 830 HA LEU 116 HA LEU 116 8.734 5.988 13.456 831 HB2 LEU 116 HB2 LEU 116 5.822 6.754 13.400 832 HB3 LEU 116 HB3 LEU 116 7.004 7.490 12.338 833 HG LEU 116 HG LEU 116 6.430 4.530 12.423 834 HD11 LEU 116 HD11 LEU 116 5.434 6.631 10.505 835 HD12 LEU 116 HD12 LEU 116 4.461 5.746 11.678 836 HD13 LEU 116 HD13 LEU 116 5.212 4.889 10.333 837 HD21 LEU 116 HD21 LEU 116 7.663 4.486 10.327 838 HD22 LEU 116 HD22 LEU 116 8.666 5.140 11.622 839 HD23 LEU 116 HD23 LEU 116 7.940 6.225 10.434 840 H MET 117 H MET 117 6.622 7.515 15.839 841 HA MET 117 HA MET 117 7.411 10.163 15.548 842 HB2 MET 117 HB2 MET 117 6.598 8.705 18.066 843 HB3 MET 117 HB3 MET 117 6.725 10.452 17.923 844 HG2 MET 117 HG2 MET 117 4.853 8.716 16.324 845 HG3 MET 117 HG3 MET 117 4.415 9.626 17.768 846 HE1 MET 117 HE1 MET 117 6.332 10.260 14.323 847 HE2 MET 117 HE2 MET 117 5.140 11.308 13.555 848 HE3 MET 117 HE3 MET 117 4.720 9.643 13.963 849 H LYS 118 H LYS 118 8.913 7.579 17.403 850 HA LYS 118 HA LYS 118 10.882 9.208 18.661 851 HB2 LYS 118 HB2 LYS 118 10.249 7.072 19.607 852 HB3 LYS 118 HB3 LYS 118 10.736 6.233 18.143 853 HG2 LYS 118 HG2 LYS 118 13.074 6.960 18.578 854 HG3 LYS 118 HG3 LYS 118 12.526 7.628 20.119 855 HD2 LYS 118 HD2 LYS 118 11.748 5.407 20.801 856 HD3 LYS 118 HD3 LYS 118 12.289 4.744 19.261 857 HE2 LYS 118 HE2 LYS 118 14.591 5.383 19.809 858 HE3 LYS 118 HE3 LYS 118 14.041 6.013 21.360 859 HZ1 LYS 118 HZ1 LYS 118 14.918 3.823 21.666 860 HZ2 LYS 118 HZ2 LYS 118 13.922 3.187 20.446 861 HZ3 LYS 118 HZ3 LYS 118 13.241 3.755 21.890 862 H TRP 119 H TRP 119 10.932 7.040 15.853 863 HA TRP 119 HA TRP 119 13.694 7.386 15.311 864 HB2 TRP 119 HB2 TRP 119 12.152 5.468 14.617 865 HB3 TRP 119 HB3 TRP 119 11.616 6.520 13.310 866 HD1 TRP 119 HD1 TRP 119 14.926 4.975 14.620 867 HE1 TRP 119 HE1 TRP 119 16.432 4.495 12.585 868 HE3 TRP 119 HE3 TRP 119 11.969 6.965 10.954 869 HZ2 TRP 119 HZ2 TRP 119 16.361 4.900 9.799 870 HZ3 TRP 119 HZ3 TRP 119 12.762 6.863 8.626 871 HH2 TRP 119 HH2 TRP 119 14.914 5.858 8.062 872 H VAL 120 H VAL 120 10.808 9.071 14.291 873 HA VAL 120 HA VAL 120 11.709 10.486 12.097 874 HB VAL 120 HB VAL 120 9.732 11.217 14.246 875 HG11 VAL 120 HG11 VAL 120 9.090 13.159 12.881 876 HG12 VAL 120 HG12 VAL 120 10.485 12.870 11.840 877 HG13 VAL 120 HG13 VAL 120 10.722 13.320 13.530 878 HG21 VAL 120 HG21 VAL 120 9.488 10.646 11.296 879 HG22 VAL 120 HG22 VAL 120 8.149 11.001 12.386 880 HG23 VAL 120 HG23 VAL 120 9.094 9.527 12.599 881 H ASP 121 H ASP 121 12.101 11.364 15.528 882 HA ASP 121 HA ASP 121 13.281 13.882 14.937 883 HB2 ASP 121 HB2 ASP 121 12.140 13.379 17.081 884 HB3 ASP 121 HB3 ASP 121 13.459 12.288 17.501 885 H ASP 122 H ASP 122 14.542 10.667 15.442 886 HA ASP 122 HA ASP 122 17.275 11.484 15.706 887 HB2 ASP 122 HB2 ASP 122 16.515 9.356 16.648 888 HB3 ASP 122 HB3 ASP 122 16.101 8.773 15.037 889 H ASN 123 H ASN 123 15.403 9.966 13.077 890 HA ASN 123 HA ASN 123 17.578 10.036 11.246 891 HB2 ASN 123 HB2 ASN 123 15.604 8.453 11.202 892 HB3 ASN 123 HB3 ASN 123 14.653 9.787 10.554 893 HD21 ASN 123 HD21 ASN 123 17.336 7.652 9.998 894 HD22 ASN 123 HD22 ASN 123 17.379 7.832 8.279 895 H GLY 124 H GLY 124 14.812 12.130 11.852 896 HA2 GLY 124 HA2 GLY 124 14.762 14.429 11.434 897 HA3 GLY 124 HA3 GLY 124 16.160 14.254 10.388 898 H PHE 125 H PHE 125 12.817 12.980 10.464 899 HA PHE 125 HA PHE 125 12.412 14.269 7.867 900 HB2 PHE 125 HB2 PHE 125 11.214 12.375 6.954 901 HB3 PHE 125 HB3 PHE 125 12.828 11.886 7.407 902 HD1 PHE 125 HD2 PHE 125 13.133 10.619 9.582 903 HD2 PHE 125 HD1 PHE 125 9.362 11.204 7.707 904 HE1 PHE 125 HE2 PHE 125 12.227 8.688 10.798 905 HE2 PHE 125 HE1 PHE 125 8.452 9.267 8.916 906 HZ PHE 125 HZ PHE 125 9.888 8.004 10.463 907 H ASP 126 H ASP 126 9.862 13.962 7.352 908 HA ASP 126 HA ASP 126 8.475 14.721 9.836 909 HB2 ASP 126 HB2 ASP 126 8.026 16.019 7.140 910 HB3 ASP 126 HB3 ASP 126 7.307 16.489 8.676 911 H LEU 127 H LEU 127 6.003 14.809 9.349 912 HA LEU 127 HA LEU 127 5.259 12.262 8.210 913 HB2 LEU 127 HB2 LEU 127 3.677 14.443 9.563 914 HB3 LEU 127 HB3 LEU 127 2.915 13.036 8.851 915 HG LEU 127 HG LEU 127 4.374 11.635 10.408 916 HD11 LEU 127 HD11 LEU 127 4.707 14.296 11.780 917 HD12 LEU 127 HD12 LEU 127 5.989 13.365 11.005 918 HD13 LEU 127 HD13 LEU 127 5.173 12.725 12.431 919 HD21 LEU 127 HD21 LEU 127 1.996 11.942 10.755 920 HD22 LEU 127 HD22 LEU 127 2.297 13.469 11.585 921 HD23 LEU 127 HD23 LEU 127 2.854 11.954 12.295 922 H SER 128 H SER 128 4.848 12.016 6.136 923 HA SER 128 HA SER 128 4.608 14.343 4.445 924 HB2 SER 128 HB2 SER 128 4.619 11.419 3.678 925 HB3 SER 128 HB3 SER 128 4.902 12.794 2.609 926 HG SER 128 HG SER 128 6.598 13.001 4.644 927 H GLY 129 H GLY 129 2.376 12.715 6.185 928 HA2 GLY 129 HA2 GLY 129 0.067 12.955 6.119 929 HA3 GLY 129 HA3 GLY 129 0.219 13.702 4.538 930 H GLU 130 H GLU 130 1.511 11.726 3.124 931 HA GLU 130 HA GLU 130 -0.602 9.807 2.737 932 HB2 GLU 130 HB2 GLU 130 0.581 10.845 0.818 933 HB3 GLU 130 HB3 GLU 130 2.067 10.057 1.329 934 HG2 GLU 130 HG2 GLU 130 0.990 7.871 0.999 935 HG3 GLU 130 HG3 GLU 130 -0.455 8.695 0.417 936 H ALA 131 H ALA 131 -0.671 7.831 3.536 937 HA ALA 131 HA ALA 131 1.805 6.634 4.601 938 HB1 ALA 131 HB1 ALA 131 0.144 7.131 6.349 939 HB2 ALA 131 HB2 ALA 131 0.419 5.397 6.176 940 HB3 ALA 131 HB3 ALA 131 -1.037 6.131 5.500 941 H TYR 132 H TYR 132 2.296 4.560 3.955 942 HA TYR 132 HA TYR 132 0.463 3.329 2.009 943 HB2 TYR 132 HB2 TYR 132 2.565 4.657 1.118 944 HB3 TYR 132 HB3 TYR 132 3.424 3.194 1.586 945 HD1 TYR 132 HD1 TYR 132 2.569 0.964 0.592 946 HD2 TYR 132 HD2 TYR 132 1.497 4.788 -0.930 947 HE1 TYR 132 HE1 TYR 132 1.938 -0.069 -1.550 948 HE2 TYR 132 HE2 TYR 132 0.860 3.766 -3.070 949 HH TYR 132 HH TYR 132 0.490 0.420 -3.474 950 H GLU 133 H GLU 133 -0.134 1.471 2.882 951 HA GLU 133 HA GLU 133 1.783 -0.085 4.465 952 HB2 GLU 133 HB2 GLU 133 -1.219 -0.363 4.189 953 HB3 GLU 133 HB3 GLU 133 -0.202 -1.385 5.190 954 HG2 GLU 133 HG2 GLU 133 -1.240 0.175 6.621 955 HG3 GLU 133 HG3 GLU 133 0.444 0.671 6.469 956 H ILE 134 H ILE 134 1.931 -2.390 4.077 957 HA ILE 134 HA ILE 134 1.244 -3.149 1.311 958 HB ILE 134 HB ILE 134 3.700 -4.001 2.862 959 HG12 ILE 134 HG12 ILE 134 3.837 -1.657 2.114 960 HG13 ILE 134 HG13 ILE 134 4.969 -2.676 1.236 961 HG21 ILE 134 HG21 ILE 134 4.401 -5.031 0.740 962 HG22 ILE 134 HG22 ILE 134 2.844 -4.604 0.030 963 HG23 ILE 134 HG23 ILE 134 2.919 -5.748 1.372 964 HD11 ILE 134 HD11 ILE 134 3.876 -1.060 -0.222 965 HD12 ILE 134 HD12 ILE 134 2.304 -1.739 0.205 966 HD13 ILE 134 HD13 ILE 134 3.478 -2.717 -0.676 967 H TYR 135 H TYR 135 0.011 -4.921 1.129 968 HA TYR 135 HA TYR 135 -0.354 -6.624 3.508 969 HB2 TYR 135 HB2 TYR 135 -2.091 -5.957 1.146 970 HB3 TYR 135 HB3 TYR 135 -2.386 -7.418 2.077 971 HD1 TYR 135 HD1 TYR 135 -1.398 -4.005 3.271 972 HD2 TYR 135 HD2 TYR 135 -4.384 -7.039 3.169 973 HE1 TYR 135 HE1 TYR 135 -2.758 -2.720 4.870 974 HE2 TYR 135 HE2 TYR 135 -5.742 -5.764 4.767 975 HH TYR 135 HH TYR 135 -4.915 -2.509 5.707 976 H LEU 136 H LEU 136 0.351 -8.712 3.445 977 HA LEU 136 HA LEU 136 1.191 -9.710 0.809 978 HB2 LEU 136 HB2 LEU 136 2.478 -10.149 3.495 979 HB3 LEU 136 HB3 LEU 136 2.869 -11.107 2.082 980 HG LEU 136 HG LEU 136 3.380 -8.790 0.984 981 HD11 LEU 136 HD11 LEU 136 2.512 -7.439 2.822 982 HD12 LEU 136 HD12 LEU 136 4.226 -7.135 2.545 983 HD13 LEU 136 HD13 LEU 136 3.716 -8.136 3.904 984 HD21 LEU 136 HD21 LEU 136 5.196 -10.039 3.039 985 HD22 LEU 136 HD22 LEU 136 5.699 -8.956 1.741 986 HD23 LEU 136 HD23 LEU 136 5.025 -10.540 1.357 987 H ASP 137 H ASP 137 0.675 -11.202 4.015 988 HA ASP 137 HA ASP 137 -0.975 -13.209 2.642 989 HB2 ASP 137 HB2 ASP 137 -0.219 -14.801 4.446 990 HB3 ASP 137 HB3 ASP 137 1.023 -14.303 3.306 991 H ASN 138 H ASN 138 -2.493 -14.387 4.153 992 HA ASN 138 HA ASN 138 -4.055 -12.284 5.451 993 HB2 ASN 138 HB2 ASN 138 -5.062 -13.663 3.641 994 HB3 ASN 138 HB3 ASN 138 -4.841 -15.097 4.633 995 HD21 ASN 138 HD21 ASN 138 -6.621 -12.122 4.237 996 HD22 ASN 138 HD22 ASN 138 -7.915 -12.530 5.318 997 HA PRO 139 HA PRO 139 -3.205 -13.988 9.469 998 HB2 PRO 139 HB2 PRO 139 -4.865 -12.496 10.923 999 HB3 PRO 139 HB3 PRO 139 -3.500 -11.767 10.067 1000 HG2 PRO 139 HG2 PRO 139 -6.392 -11.846 9.300 1001 HG3 PRO 139 HG3 PRO 139 -5.248 -10.496 9.207 1002 HD2 PRO 139 HD2 PRO 139 -5.925 -12.104 7.079 1003 HD3 PRO 139 HD3 PRO 139 -4.409 -11.190 7.200 1004 H ALA 140 H ALA 140 -4.799 -14.325 11.547 1005 HA ALA 140 HA ALA 140 -6.457 -15.422 12.616 1006 HB1 ALA 140 HB1 ALA 140 -8.523 -16.039 11.503 1007 HB2 ALA 140 HB2 ALA 140 -7.796 -15.708 9.931 1008 HB3 ALA 140 HB3 ALA 140 -8.055 -14.392 11.077 1009 H GLU 141 H GLU 141 -5.473 -16.882 9.566 1010 HA GLU 141 HA GLU 141 -5.787 -19.551 10.728 1011 HB2 GLU 141 HB2 GLU 141 -5.168 -18.651 7.912 1012 HB3 GLU 141 HB3 GLU 141 -5.249 -20.336 8.411 1013 HG2 GLU 141 HG2 GLU 141 -7.524 -18.389 8.697 1014 HG3 GLU 141 HG3 GLU 141 -7.313 -19.470 7.318 1015 H THR 142 H THR 142 -3.488 -17.227 10.563 1016 HA THR 142 HA THR 142 -1.379 -19.181 11.107 1017 HB THR 142 HB THR 142 -0.988 -18.399 8.813 1018 HG1 THR 142 HG1 THR 142 1.065 -16.999 9.739 1019 HG21 THR 142 HG21 THR 142 -0.459 -16.039 8.365 1020 HG22 THR 142 HG22 THR 142 -0.901 -15.635 10.025 1021 HG23 THR 142 HG23 THR 142 -2.124 -16.248 8.909 1022 H ALA 143 H ALA 143 0.503 -18.024 12.237 1023 HA ALA 143 HA ALA 143 -0.598 -16.708 14.516 1024 HB1 ALA 143 HB1 ALA 143 1.704 -16.684 15.345 1025 HB2 ALA 143 HB2 ALA 143 2.286 -17.180 13.755 1026 HB3 ALA 143 HB3 ALA 143 1.275 -18.271 14.704 1027 HA PRO 144 HA PRO 144 -0.242 -12.494 13.214 1028 HB2 PRO 144 HB2 PRO 144 0.206 -11.828 16.049 1029 HB3 PRO 144 HB3 PRO 144 -1.118 -11.354 14.982 1030 HG2 PRO 144 HG2 PRO 144 -1.479 -13.124 16.960 1031 HG3 PRO 144 HG3 PRO 144 -2.325 -13.277 15.409 1032 HD2 PRO 144 HD2 PRO 144 0.088 -14.748 16.402 1033 HD3 PRO 144 HD3 PRO 144 -1.320 -15.366 15.510 1034 H ASP 145 H ASP 145 2.145 -13.991 15.249 1035 HA ASP 145 HA ASP 145 4.022 -11.943 15.456 1036 HB2 ASP 145 HB2 ASP 145 4.180 -13.943 16.812 1037 HB3 ASP 145 HB3 ASP 145 4.437 -14.936 15.381 1038 H GLN 146 H GLN 146 3.292 -14.019 12.740 1039 HA GLN 146 HA GLN 146 5.725 -13.041 11.421 1040 HB2 GLN 146 HB2 GLN 146 5.390 -14.956 9.822 1041 HB3 GLN 146 HB3 GLN 146 5.799 -15.403 11.469 1042 HG2 GLN 146 HG2 GLN 146 4.158 -16.918 10.938 1043 HG3 GLN 146 HG3 GLN 146 3.246 -15.666 11.776 1044 HE21 GLN 146 HE21 GLN 146 3.924 -17.160 8.720 1045 HE22 GLN 146 HE22 GLN 146 2.592 -16.467 7.852 1046 H LEU 147 H LEU 147 2.723 -12.049 11.649 1047 HA LEU 147 HA LEU 147 1.975 -11.783 8.888 1048 HB2 LEU 147 HB2 LEU 147 1.007 -10.359 11.368 1049 HB3 LEU 147 HB3 LEU 147 0.319 -10.126 9.772 1050 HG LEU 147 HG LEU 147 0.338 -12.731 11.297 1051 HD11 LEU 147 HD11 LEU 147 -2.069 -12.351 11.527 1052 HD12 LEU 147 HD12 LEU 147 -1.889 -10.771 10.763 1053 HD13 LEU 147 HD13 LEU 147 -1.131 -11.088 12.325 1054 HD21 LEU 147 HD21 LEU 147 -1.171 -13.506 9.540 1055 HD22 LEU 147 HD22 LEU 147 0.398 -13.052 8.878 1056 HD23 LEU 147 HD23 LEU 147 -0.983 -11.971 8.694 1057 H ARG 148 H ARG 148 3.597 -10.809 7.758 1058 HA ARG 148 HA ARG 148 4.988 -8.546 8.854 1059 HB2 ARG 148 HB2 ARG 148 6.435 -8.698 6.951 1060 HB3 ARG 148 HB3 ARG 148 6.127 -10.324 7.537 1061 HG2 ARG 148 HG2 ARG 148 4.174 -9.829 5.586 1062 HG3 ARG 148 HG3 ARG 148 5.692 -9.212 4.934 1063 HD2 ARG 148 HD2 ARG 148 5.790 -11.398 4.250 1064 HD3 ARG 148 HD3 ARG 148 6.639 -11.496 5.793 1065 HE ARG 148 HE ARG 148 3.759 -12.061 5.741 1066 HH11 ARG 148 HH11 ARG 148 7.059 -13.241 6.035 1067 HH12 ARG 148 HH12 ARG 148 6.570 -14.797 6.652 1068 HH21 ARG 148 HH21 ARG 148 3.121 -14.075 6.542 1069 HH22 ARG 148 HH22 ARG 148 4.326 -15.266 6.933 1070 H THR 149 H THR 149 4.170 -6.581 8.805 1071 HA THR 149 HA THR 149 2.988 -5.641 6.280 1072 HB THR 149 HB THR 149 2.004 -4.800 9.014 1073 HG1 THR 149 HG1 THR 149 1.492 -7.031 8.477 1074 HG21 THR 149 HG21 THR 149 1.663 -3.143 7.247 1075 HG22 THR 149 HG22 THR 149 0.126 -3.854 7.736 1076 HG23 THR 149 HG23 THR 149 0.892 -4.367 6.234 1077 H ARG 150 H ARG 150 4.231 -4.062 5.487 1078 HA ARG 150 HA ARG 150 5.732 -2.393 7.381 1079 HB2 ARG 150 HB2 ARG 150 7.135 -1.752 5.427 1080 HB3 ARG 150 HB3 ARG 150 7.187 -3.471 5.790 1081 HG2 ARG 150 HG2 ARG 150 5.665 -3.927 3.955 1082 HG3 ARG 150 HG3 ARG 150 5.531 -2.202 3.615 1083 HD2 ARG 150 HD2 ARG 150 8.125 -3.735 3.522 1084 HD3 ARG 150 HD3 ARG 150 7.098 -3.472 2.117 1085 HE ARG 150 HE ARG 150 7.842 -1.049 3.488 1086 HH11 ARG 150 HH11 ARG 150 8.732 -3.364 1.013 1087 HH12 ARG 150 HH12 ARG 150 9.817 -2.275 0.193 1088 HH21 ARG 150 HH21 ARG 150 9.252 0.416 2.396 1089 HH22 ARG 150 HH22 ARG 150 10.089 -0.118 0.969 1090 H VAL 151 H VAL 151 4.860 -0.504 7.841 1091 HA VAL 151 HA VAL 151 3.161 0.828 5.862 1092 HB VAL 151 HB VAL 151 2.217 0.703 8.096 1093 HG11 VAL 151 HG11 VAL 151 4.254 0.534 9.393 1094 HG12 VAL 151 HG12 VAL 151 3.243 1.845 9.997 1095 HG13 VAL 151 HG13 VAL 151 4.659 2.206 9.010 1096 HG21 VAL 151 HG21 VAL 151 3.094 3.499 7.383 1097 HG22 VAL 151 HG22 VAL 151 1.805 3.101 8.519 1098 HG23 VAL 151 HG23 VAL 151 1.645 2.668 6.817 1099 H SER 152 H SER 152 3.751 2.679 4.856 1100 HA SER 152 HA SER 152 6.410 3.761 5.504 1101 HB2 SER 152 HB2 SER 152 5.367 3.418 2.692 1102 HB3 SER 152 HB3 SER 152 7.016 3.779 3.205 1103 HG SER 152 HG SER 152 5.603 1.363 3.698 1104 H LEU 153 H LEU 153 6.748 5.957 4.959 1105 HA LEU 153 HA LEU 153 4.285 7.478 4.404 1106 HB2 LEU 153 HB2 LEU 153 6.958 8.376 5.491 1107 HB3 LEU 153 HB3 LEU 153 5.659 9.475 5.074 1108 HG LEU 153 HG LEU 153 4.249 8.209 6.793 1109 HD11 LEU 153 HD11 LEU 153 5.676 6.247 7.026 1110 HD12 LEU 153 HD12 LEU 153 5.483 7.078 8.568 1111 HD13 LEU 153 HD13 LEU 153 6.978 7.258 7.650 1112 HD21 LEU 153 HD21 LEU 153 6.641 9.796 7.709 1113 HD22 LEU 153 HD22 LEU 153 5.166 9.520 8.637 1114 HD23 LEU 153 HD23 LEU 153 5.107 10.457 7.144 1115 H MET 154 H MET 154 4.506 9.337 2.859 1116 HA MET 154 HA MET 154 5.445 8.583 0.381 1117 HB2 MET 154 HB2 MET 154 3.784 10.291 0.669 1118 HB3 MET 154 HB3 MET 154 4.898 11.298 1.576 1119 HG2 MET 154 HG2 MET 154 5.602 10.587 -1.211 1120 HG3 MET 154 HG3 MET 154 4.325 11.771 -0.936 1121 HE1 MET 154 HE1 MET 154 6.466 12.866 -2.581 1122 HE2 MET 154 HE2 MET 154 6.928 14.344 -1.734 1123 HE3 MET 154 HE3 MET 154 5.233 13.861 -1.807 1124 H LEU 155 H LEU 155 6.950 11.048 2.487 1125 HA LEU 155 HA LEU 155 9.085 11.488 3.040 1126 HB2 LEU 155 HB2 LEU 155 8.761 8.676 3.040 1127 HB3 LEU 155 HB3 LEU 155 10.389 9.035 2.497 1128 HG LEU 155 HG LEU 155 10.190 8.679 4.957 1129 HD11 LEU 155 HD11 LEU 155 11.557 10.604 5.583 1130 HD12 LEU 155 HD12 LEU 155 11.082 11.429 4.097 1131 HD13 LEU 155 HD13 LEU 155 12.046 9.954 4.019 1132 HD21 LEU 155 HD21 LEU 155 7.990 9.702 5.266 1133 HD22 LEU 155 HD22 LEU 155 8.662 11.279 4.852 1134 HD23 LEU 155 HD23 LEU 155 9.197 10.447 6.313 1135 H HIS 156 H HIS 156 8.451 11.584 -0.037 1136 HA HIS 156 HA HIS 156 11.142 11.488 -1.063 1137 HB2 HIS 156 HB2 HIS 156 9.165 11.424 -2.590 1138 HB3 HIS 156 HB3 HIS 156 8.791 13.084 -2.132 1139 HD1 HIS 156 HD1 HIS 156 9.529 14.662 -3.887 1140 HD2 HIS 156 HD2 HIS 156 12.108 11.415 -3.531 1141 HE1 HIS 156 HE1 HIS 156 11.373 15.070 -5.549 1142 HE2 HIS 156 HE2 HIS 156 13.044 13.237 -5.106 1143 H GLU 157 H GLU 157 9.026 13.758 0.443 1144 HA GLU 157 HA GLU 157 11.304 15.125 1.572 1145 HB2 GLU 157 HB2 GLU 157 10.823 16.537 -0.374 1146 HB3 GLU 157 HB3 GLU 157 9.123 16.598 0.060 1147 HG2 GLU 157 HG2 GLU 157 10.297 18.663 0.615 1148 HG3 GLU 157 HG3 GLU 157 9.635 17.873 2.044 1149 H SER 158 H SER 158 8.041 16.346 1.479 1150 HA SER 158 HA SER 158 6.671 14.639 3.123 1151 HB2 SER 158 HB2 SER 158 8.196 16.697 4.675 1152 HB3 SER 158 HB3 SER 158 6.559 16.285 5.191 1153 HG SER 158 HG SER 158 8.742 14.493 4.841 1154 H LEU 159 H LEU 159 4.752 15.952 4.241 1155 HA LEU 159 HA LEU 159 3.981 18.086 2.374 1156 HB2 LEU 159 HB2 LEU 159 2.557 15.873 2.977 1157 HB3 LEU 159 HB3 LEU 159 1.989 16.931 4.254 1158 HG LEU 159 HG LEU 159 0.514 16.915 2.267 1159 HD11 LEU 159 HD11 LEU 159 1.858 19.558 2.798 1160 HD12 LEU 159 HD12 LEU 159 0.529 18.858 3.725 1161 HD13 LEU 159 HD13 LEU 159 0.278 19.336 2.044 1162 HD21 LEU 159 HD21 LEU 159 1.250 18.019 0.216 1163 HD22 LEU 159 HD22 LEU 159 2.214 16.584 0.556 1164 HD23 LEU 159 HD23 LEU 159 2.873 18.186 0.885 1165 H GLU 160 H GLU 160 5.673 19.133 3.796 1166 HA GLU 160 HA GLU 160 4.396 20.499 6.015 1167 HB2 GLU 160 HB2 GLU 160 6.629 18.611 6.214 1168 HB3 GLU 160 HB3 GLU 160 6.961 20.172 6.951 1169 HG2 GLU 160 HG2 GLU 160 4.631 18.378 7.582 1170 HG3 GLU 160 HG3 GLU 160 6.073 18.605 8.572 1171 H HIS 161 H HIS 161 5.068 22.578 6.301 1172 HA HIS 161 HA HIS 161 6.887 23.636 4.259 1173 HB2 HIS 161 HB2 HIS 161 5.044 25.067 6.187 1174 HB3 HIS 161 HB3 HIS 161 6.014 25.845 4.945 1175 HD1 HIS 161 HD1 HIS 161 5.123 25.806 2.553 1176 HD2 HIS 161 HD2 HIS 161 2.784 23.643 5.226 1177 HE1 HIS 161 HE1 HIS 161 2.993 25.274 1.322 1178 HE2 HIS 161 HE2 HIS 161 1.523 24.143 3.028 1179 H HIS 162 H HIS 162 6.726 22.823 7.551 1180 HA HIS 162 HA HIS 162 8.066 23.087 9.353 1181 HB2 HIS 162 HB2 HIS 162 10.063 24.069 7.307 1182 HB3 HIS 162 HB3 HIS 162 10.435 23.879 9.015 1183 HD1 HIS 162 HD1 HIS 162 11.090 22.222 6.065 1184 HD2 HIS 162 HD2 HIS 162 9.523 20.942 9.698 1185 HE1 HIS 162 HE1 HIS 162 11.516 19.747 6.153 1186 HE2 HIS 162 HE2 HIS 162 10.377 18.963 8.260 1187 H HIS 163 H HIS 163 7.068 24.542 10.575 1188 HA HIS 163 HA HIS 163 6.923 27.315 9.811 1189 HB2 HIS 163 HB2 HIS 163 5.141 25.956 11.067 1190 HB3 HIS 163 HB3 HIS 163 6.141 26.188 12.497 1191 HD1 HIS 163 HD1 HIS 163 3.633 27.833 10.379 1192 HD2 HIS 163 HD2 HIS 163 6.348 28.957 13.324 1193 HE1 HIS 163 HE1 HIS 163 2.939 30.138 11.105 1194 HE2 HIS 163 HE2 HIS 163 4.736 30.882 12.702 1195 H HIS 164 H HIS 164 9.471 26.989 9.826 1196 HA HIS 164 HA HIS 164 11.501 27.581 10.673 1197 HB2 HIS 164 HB2 HIS 164 10.212 29.769 10.534 1198 HB3 HIS 164 HB3 HIS 164 9.944 29.620 12.267 1199 HD1 HIS 164 HD1 HIS 164 11.672 30.674 13.705 1200 HD2 HIS 164 HD2 HIS 164 13.094 29.855 9.888 1201 HE1 HIS 164 HE1 HIS 164 13.970 31.683 13.606 1202 HE2 HIS 164 HE2 HIS 164 14.685 31.403 11.209 1203 H HIS 165 H HIS 165 11.694 25.566 11.827 1204 HA HIS 165 HA HIS 165 11.113 25.754 14.709 1205 HB2 HIS 165 HB2 HIS 165 9.917 23.969 13.454 1206 HB3 HIS 165 HB3 HIS 165 11.471 23.269 13.018 1207 HD1 HIS 165 HD1 HIS 165 8.890 23.186 15.590 1208 HD2 HIS 165 HD2 HIS 165 12.945 22.267 15.348 1209 HE1 HIS 165 HE1 HIS 165 9.389 21.763 17.603 1210 HE2 HIS 165 HE2 HIS 165 11.875 21.362 17.525 1211 H HIS 166 H HIS 166 12.750 25.914 16.034 1212 HA HIS 166 HA HIS 166 15.271 24.564 15.377 1213 HB2 HIS 166 HB2 HIS 166 14.942 27.366 16.457 1214 HB3 HIS 166 HB3 HIS 166 16.445 26.463 16.606 1215 HD1 HIS 166 HD1 HIS 166 15.216 29.030 14.661 1216 HD2 HIS 166 HD2 HIS 166 16.996 25.393 13.702 1217 HE1 HIS 166 HE1 HIS 166 16.112 29.302 12.323 1218 HE2 HIS 166 HE2 HIS 166 16.976 27.019 11.693 Start of MODEL 19 1 H1 MET 1 H1 MET 1 1.982 7.551 25.990 2 H2 MET 1 H2 MET 1 0.438 8.217 25.775 3 H3 MET 1 H3 MET 1 1.065 7.139 24.625 4 HA MET 1 HA MET 1 0.436 6.470 27.442 5 HB2 MET 1 HB2 MET 1 -1.578 6.882 26.066 6 HB3 MET 1 HB3 MET 1 -1.001 5.712 24.886 7 HG2 MET 1 HG2 MET 1 -2.707 4.746 26.314 8 HG3 MET 1 HG3 MET 1 -1.156 3.942 26.550 9 HE1 MET 1 HE1 MET 1 -2.930 7.011 29.513 10 HE2 MET 1 HE2 MET 1 -3.736 6.509 28.028 11 HE3 MET 1 HE3 MET 1 -2.258 7.470 27.947 12 H ASP 2 H ASP 2 1.283 4.612 28.138 13 HA ASP 2 HA ASP 2 2.580 2.757 28.245 14 HB2 ASP 2 HB2 ASP 2 1.813 2.450 25.332 15 HB3 ASP 2 HB3 ASP 2 2.762 1.266 26.223 16 H PHE 3 H PHE 3 3.385 3.526 24.897 17 HA PHE 3 HA PHE 3 5.275 4.237 23.869 18 HB2 PHE 3 HB2 PHE 3 4.868 6.171 25.489 19 HB3 PHE 3 HB3 PHE 3 6.108 5.451 26.506 20 HD1 PHE 3 HD2 PHE 3 5.591 6.569 22.983 21 HD2 PHE 3 HD1 PHE 3 8.283 6.183 26.259 22 HE1 PHE 3 HE2 PHE 3 7.317 7.771 21.704 23 HE2 PHE 3 HE1 PHE 3 10.010 7.389 24.985 24 HZ PHE 3 HZ PHE 3 9.527 8.183 22.705 25 H GLU 4 H GLU 4 7.826 4.243 24.199 26 HA GLU 4 HA GLU 4 9.761 3.154 24.633 27 HB2 GLU 4 HB2 GLU 4 9.083 3.176 27.009 28 HB3 GLU 4 HB3 GLU 4 8.242 1.651 26.768 29 HG2 GLU 4 HG2 GLU 4 10.429 1.365 27.828 30 HG3 GLU 4 HG3 GLU 4 10.318 0.537 26.275 31 H CYS 5 H CYS 5 7.015 0.929 24.785 32 HA CYS 5 HA CYS 5 8.377 -1.118 23.290 33 HB2 CYS 5 HB2 CYS 5 6.623 -1.725 24.886 34 HB3 CYS 5 HB3 CYS 5 5.453 -0.758 23.997 35 HG CYS 5 HG CYS 5 5.186 -2.401 21.879 36 H GLN 6 H GLN 6 8.992 -0.399 21.300 37 HA GLN 6 HA GLN 6 6.907 0.744 19.572 38 HB2 GLN 6 HB2 GLN 6 9.836 1.494 19.714 39 HB3 GLN 6 HB3 GLN 6 8.710 2.085 18.503 40 HG2 GLN 6 HG2 GLN 6 8.401 2.536 21.461 41 HG3 GLN 6 HG3 GLN 6 9.166 3.674 20.355 42 HE21 GLN 6 HE21 GLN 6 7.672 5.271 20.748 43 HE22 GLN 6 HE22 GLN 6 6.032 5.206 20.186 44 H PHE 7 H PHE 7 8.351 0.844 17.275 45 HA PHE 7 HA PHE 7 9.203 -1.910 16.751 46 HB2 PHE 7 HB2 PHE 7 7.268 -0.305 15.058 47 HB3 PHE 7 HB3 PHE 7 7.956 -1.857 14.603 48 HD1 PHE 7 HD1 PHE 7 7.375 -3.887 15.951 49 HD2 PHE 7 HD2 PHE 7 5.379 -0.161 16.444 50 HE1 PHE 7 HE1 PHE 7 5.514 -5.036 17.075 51 HE2 PHE 7 HE2 PHE 7 3.514 -1.304 17.568 52 HZ PHE 7 HZ PHE 7 3.581 -3.744 17.888 53 H VAL 8 H VAL 8 11.151 -1.913 15.854 54 HA VAL 8 HA VAL 8 12.458 0.425 14.967 55 HB VAL 8 HB VAL 8 13.726 -1.472 15.822 56 HG11 VAL 8 HG11 VAL 8 14.011 -3.526 14.537 57 HG12 VAL 8 HG12 VAL 8 12.859 -2.940 13.338 58 HG13 VAL 8 HG13 VAL 8 12.323 -3.281 14.983 59 HG21 VAL 8 HG21 VAL 8 14.367 -0.869 12.938 60 HG22 VAL 8 HG22 VAL 8 15.479 -1.595 14.099 61 HG23 VAL 8 HG23 VAL 8 14.894 0.050 14.347 62 H CYS 9 H CYS 9 12.612 1.369 13.019 63 HA CYS 9 HA CYS 9 11.275 0.034 10.760 64 HB2 CYS 9 HB2 CYS 9 11.114 2.983 11.425 65 HB3 CYS 9 HB3 CYS 9 10.281 2.153 10.113 66 HG CYS 9 HG CYS 9 9.710 1.403 13.403 67 H GLU 10 H GLU 10 11.968 0.763 8.638 68 HA GLU 10 HA GLU 10 14.522 2.193 8.550 69 HB2 GLU 10 HB2 GLU 10 15.009 -0.245 8.733 70 HB3 GLU 10 HB3 GLU 10 14.088 -0.511 7.262 71 HG2 GLU 10 HG2 GLU 10 16.486 -0.502 6.848 72 HG3 GLU 10 HG3 GLU 10 15.674 0.816 6.002 73 H LEU 11 H LEU 11 14.901 3.234 6.558 74 HA LEU 11 HA LEU 11 12.527 3.422 4.880 75 HB2 LEU 11 HB2 LEU 11 13.544 5.450 3.977 76 HB3 LEU 11 HB3 LEU 11 13.335 5.546 5.702 77 HG LEU 11 HG LEU 11 15.985 4.873 4.428 78 HD11 LEU 11 HD11 LEU 11 14.904 7.582 5.192 79 HD12 LEU 11 HD12 LEU 11 15.286 7.026 3.563 80 HD13 LEU 11 HD13 LEU 11 16.574 7.237 4.748 81 HD21 LEU 11 HD21 LEU 11 16.882 5.662 6.554 82 HD22 LEU 11 HD22 LEU 11 15.764 4.317 6.788 83 HD23 LEU 11 HD23 LEU 11 15.245 5.967 7.135 84 H LYS 12 H LYS 12 12.573 1.885 3.346 85 HA LYS 12 HA LYS 12 15.134 1.297 2.054 86 HB2 LYS 12 HB2 LYS 12 14.118 -0.699 1.183 87 HB3 LYS 12 HB3 LYS 12 13.777 -0.606 2.903 88 HG2 LYS 12 HG2 LYS 12 11.524 0.198 2.410 89 HG3 LYS 12 HG3 LYS 12 11.870 0.093 0.682 90 HD2 LYS 12 HD2 LYS 12 11.848 -2.196 2.652 91 HD3 LYS 12 HD3 LYS 12 10.636 -1.870 1.411 92 HE2 LYS 12 HE2 LYS 12 12.305 -2.230 -0.330 93 HE3 LYS 12 HE3 LYS 12 13.543 -2.500 0.896 94 HZ1 LYS 12 HZ1 LYS 12 12.761 -4.596 0.071 95 HZ2 LYS 12 HZ2 LYS 12 11.150 -4.183 0.398 96 HZ3 LYS 12 HZ3 LYS 12 12.241 -4.421 1.675 97 H GLU 13 H GLU 13 15.141 1.056 -0.313 98 HA GLU 13 HA GLU 13 13.567 3.211 -1.504 99 HB2 GLU 13 HB2 GLU 13 16.030 3.266 -1.721 100 HB3 GLU 13 HB3 GLU 13 15.965 1.746 -2.601 101 HG2 GLU 13 HG2 GLU 13 14.875 2.736 -4.436 102 HG3 GLU 13 HG3 GLU 13 14.524 4.207 -3.527 103 H LEU 14 H LEU 14 11.808 2.712 -2.559 104 HA LEU 14 HA LEU 14 11.272 -0.012 -3.352 105 HB2 LEU 14 HB2 LEU 14 9.666 2.528 -3.422 106 HB3 LEU 14 HB3 LEU 14 9.099 1.077 -4.221 107 HG LEU 14 HG LEU 14 9.234 -0.096 -1.994 108 HD11 LEU 14 HD11 LEU 14 9.264 1.282 0.017 109 HD12 LEU 14 HD12 LEU 14 9.580 2.714 -0.964 110 HD13 LEU 14 HD13 LEU 14 10.778 1.422 -0.876 111 HD21 LEU 14 HD21 LEU 14 7.386 2.275 -2.209 112 HD22 LEU 14 HD22 LEU 14 7.148 0.873 -1.168 113 HD23 LEU 14 HD23 LEU 14 7.124 0.684 -2.920 114 H ALA 15 H ALA 15 10.300 -0.445 -5.526 115 HA ALA 15 HA ALA 15 11.846 0.965 -7.606 116 HB1 ALA 15 HB1 ALA 15 11.821 -1.118 -8.871 117 HB2 ALA 15 HB2 ALA 15 10.869 -1.893 -7.605 118 HB3 ALA 15 HB3 ALA 15 12.522 -1.376 -7.272 119 HA PRO 16 HA PRO 16 8.004 2.097 -9.493 120 HB2 PRO 16 HB2 PRO 16 8.717 2.165 -12.121 121 HB3 PRO 16 HB3 PRO 16 9.177 3.415 -10.959 122 HG2 PRO 16 HG2 PRO 16 10.778 1.120 -12.005 123 HG3 PRO 16 HG3 PRO 16 11.282 2.791 -11.696 124 HD2 PRO 16 HD2 PRO 16 11.831 0.741 -9.998 125 HD3 PRO 16 HD3 PRO 16 11.592 2.412 -9.449 126 H VAL 17 H VAL 17 6.478 0.574 -9.369 127 HA VAL 17 HA VAL 17 6.631 -1.721 -11.223 128 HB VAL 17 HB VAL 17 5.279 -1.630 -8.509 129 HG11 VAL 17 HG11 VAL 17 5.023 -4.046 -8.775 130 HG12 VAL 17 HG12 VAL 17 5.716 -3.940 -10.393 131 HG13 VAL 17 HG13 VAL 17 4.175 -3.157 -10.040 132 HG21 VAL 17 HG21 VAL 17 7.052 -3.167 -7.771 133 HG22 VAL 17 HG22 VAL 17 7.679 -1.584 -8.230 134 HG23 VAL 17 HG23 VAL 17 7.860 -2.955 -9.326 135 HA PRO 18 HA PRO 18 2.810 -0.079 -12.866 136 HB2 PRO 18 HB2 PRO 18 2.280 -2.793 -13.858 137 HB3 PRO 18 HB3 PRO 18 2.552 -1.305 -14.765 138 HG2 PRO 18 HG2 PRO 18 4.376 -3.271 -14.716 139 HG3 PRO 18 HG3 PRO 18 4.845 -1.562 -14.761 140 HD2 PRO 18 HD2 PRO 18 4.759 -3.438 -12.421 141 HD3 PRO 18 HD3 PRO 18 6.008 -2.254 -12.868 142 H ALA 19 H ALA 19 0.811 0.128 -12.044 143 HA ALA 19 HA ALA 19 -0.359 -2.096 -10.548 144 HB1 ALA 19 HB1 ALA 19 0.971 -0.811 -8.931 145 HB2 ALA 19 HB2 ALA 19 -0.757 -0.740 -8.580 146 HB3 ALA 19 HB3 ALA 19 0.047 0.636 -9.337 147 H LEU 20 H LEU 20 -2.581 -1.981 -10.278 148 HA LEU 20 HA LEU 20 -3.956 0.227 -11.658 149 HB2 LEU 20 HB2 LEU 20 -4.463 -2.674 -11.553 150 HB3 LEU 20 HB3 LEU 20 -5.886 -1.682 -11.290 151 HG LEU 20 HG LEU 20 -5.446 -0.526 -13.435 152 HD11 LEU 20 HD11 LEU 20 -3.854 -1.475 -15.009 153 HD12 LEU 20 HD12 LEU 20 -3.300 -2.607 -13.776 154 HD13 LEU 20 HD13 LEU 20 -3.041 -0.876 -13.564 155 HD21 LEU 20 HD21 LEU 20 -5.689 -3.522 -13.607 156 HD22 LEU 20 HD22 LEU 20 -6.134 -2.382 -14.875 157 HD23 LEU 20 HD23 LEU 20 -7.007 -2.382 -13.342 158 H LEU 21 H LEU 21 -5.173 1.539 -10.422 159 HA LEU 21 HA LEU 21 -5.799 0.639 -7.707 160 HB2 LEU 21 HB2 LEU 21 -4.965 2.687 -6.720 161 HB3 LEU 21 HB3 LEU 21 -3.682 1.834 -7.552 162 HG LEU 21 HG LEU 21 -5.135 4.153 -8.819 163 HD11 LEU 21 HD11 LEU 21 -2.613 4.232 -7.167 164 HD12 LEU 21 HD12 LEU 21 -4.176 4.892 -6.690 165 HD13 LEU 21 HD13 LEU 21 -3.311 5.578 -8.064 166 HD21 LEU 21 HD21 LEU 21 -3.112 4.301 -10.177 167 HD22 LEU 21 HD22 LEU 21 -3.840 2.700 -10.315 168 HD23 LEU 21 HD23 LEU 21 -2.413 2.935 -9.305 169 H ILE 22 H ILE 22 -7.537 1.553 -6.753 170 HA ILE 22 HA ILE 22 -9.068 3.517 -8.318 171 HB ILE 22 HB ILE 22 -10.118 1.469 -6.339 172 HG12 ILE 22 HG12 ILE 22 -11.480 0.783 -8.424 173 HG13 ILE 22 HG13 ILE 22 -10.272 1.675 -9.341 174 HG21 ILE 22 HG21 ILE 22 -11.600 3.581 -7.896 175 HG22 ILE 22 HG22 ILE 22 -11.355 3.540 -6.150 176 HG23 ILE 22 HG23 ILE 22 -12.349 2.310 -6.930 177 HD11 ILE 22 HD11 ILE 22 -9.734 -0.667 -9.327 178 HD12 ILE 22 HD12 ILE 22 -9.783 -0.703 -7.564 179 HD13 ILE 22 HD13 ILE 22 -8.530 0.219 -8.393 180 H ARG 23 H ARG 23 -9.238 5.464 -7.389 181 HA ARG 23 HA ARG 23 -8.490 5.688 -4.560 182 HB2 ARG 23 HB2 ARG 23 -8.166 8.088 -4.968 183 HB3 ARG 23 HB3 ARG 23 -7.164 7.109 -6.024 184 HG2 ARG 23 HG2 ARG 23 -9.793 8.046 -7.038 185 HG3 ARG 23 HG3 ARG 23 -8.472 9.207 -6.907 186 HD2 ARG 23 HD2 ARG 23 -7.080 7.844 -8.328 187 HD3 ARG 23 HD3 ARG 23 -8.306 6.577 -8.374 188 HE ARG 23 HE ARG 23 -9.744 8.234 -9.535 189 HH11 ARG 23 HH11 ARG 23 -6.260 8.622 -9.595 190 HH12 ARG 23 HH12 ARG 23 -6.260 9.515 -11.086 191 HH21 ARG 23 HH21 ARG 23 -9.755 9.395 -11.489 192 HH22 ARG 23 HH22 ARG 23 -8.250 9.964 -12.161 193 H THR 24 H THR 24 -9.993 5.979 -3.113 194 HA THR 24 HA THR 24 -12.501 7.249 -3.951 195 HB THR 24 HB THR 24 -13.110 4.978 -3.764 196 HG1 THR 24 HG1 THR 24 -13.743 6.065 -1.214 197 HG21 THR 24 HG21 THR 24 -11.135 4.122 -2.605 198 HG22 THR 24 HG22 THR 24 -12.614 3.558 -1.829 199 HG23 THR 24 HG23 THR 24 -11.684 4.870 -1.105 200 H GLN 25 H GLN 25 -12.256 9.180 -3.087 201 HA GLN 25 HA GLN 25 -11.295 9.477 -0.368 202 HB2 GLN 25 HB2 GLN 25 -11.445 11.891 -0.766 203 HB3 GLN 25 HB3 GLN 25 -10.508 11.087 -2.014 204 HG2 GLN 25 HG2 GLN 25 -13.404 11.829 -2.347 205 HG3 GLN 25 HG3 GLN 25 -12.071 12.886 -2.801 206 HE21 GLN 25 HE21 GLN 25 -14.184 11.639 -4.418 207 HE22 GLN 25 HE22 GLN 25 -13.356 10.731 -5.643 208 H THR 26 H THR 26 -12.502 10.093 1.342 209 HA THR 26 HA THR 26 -15.255 10.750 1.228 210 HB THR 26 HB THR 26 -15.455 8.401 0.501 211 HG1 THR 26 HG1 THR 26 -17.203 8.192 1.679 212 HG21 THR 26 HG21 THR 26 -14.163 7.722 3.146 213 HG22 THR 26 HG22 THR 26 -13.454 7.480 1.550 214 HG23 THR 26 HG23 THR 26 -14.883 6.565 2.028 215 H ALA 27 H ALA 27 -16.025 9.650 3.702 216 HA ALA 27 HA ALA 27 -14.288 11.177 5.480 217 HB1 ALA 27 HB1 ALA 27 -16.971 9.904 6.009 218 HB2 ALA 27 HB2 ALA 27 -16.696 11.589 5.561 219 HB3 ALA 27 HB3 ALA 27 -16.094 10.975 7.102 220 H MET 28 H MET 28 -13.768 10.232 7.641 221 HA MET 28 HA MET 28 -12.217 7.922 7.157 222 HB2 MET 28 HB2 MET 28 -11.520 8.128 9.511 223 HB3 MET 28 HB3 MET 28 -11.426 9.651 8.642 224 HG2 MET 28 HG2 MET 28 -13.541 10.355 9.657 225 HG3 MET 28 HG3 MET 28 -13.608 8.835 10.546 226 HE1 MET 28 HE1 MET 28 -11.872 8.157 12.450 227 HE2 MET 28 HE2 MET 28 -10.477 9.140 12.887 228 HE3 MET 28 HE3 MET 28 -10.560 8.387 11.295 229 H SER 29 H SER 29 -15.421 8.269 8.369 230 HA SER 29 HA SER 29 -15.555 5.865 9.871 231 HB2 SER 29 HB2 SER 29 -17.207 7.662 10.129 232 HB3 SER 29 HB3 SER 29 -17.765 7.400 8.478 233 HG SER 29 HG SER 29 -18.989 5.861 9.194 234 H GLU 30 H GLU 30 -15.575 6.525 6.477 235 HA GLU 30 HA GLU 30 -16.846 3.958 5.875 236 HB2 GLU 30 HB2 GLU 30 -16.885 6.493 4.645 237 HB3 GLU 30 HB3 GLU 30 -16.046 5.420 3.534 238 HG2 GLU 30 HG2 GLU 30 -18.473 5.539 3.132 239 HG3 GLU 30 HG3 GLU 30 -17.913 3.907 3.501 240 H LEU 31 H LEU 31 -13.880 4.740 6.705 241 HA LEU 31 HA LEU 31 -12.185 3.898 4.643 242 HB2 LEU 31 HB2 LEU 31 -11.512 5.063 6.752 243 HB3 LEU 31 HB3 LEU 31 -11.758 3.562 7.615 244 HG LEU 31 HG LEU 31 -9.357 4.245 6.972 245 HD11 LEU 31 HD11 LEU 31 -9.954 2.054 7.879 246 HD12 LEU 31 HD12 LEU 31 -8.675 1.943 6.670 247 HD13 LEU 31 HD13 LEU 31 -10.326 1.487 6.250 248 HD21 LEU 31 HD21 LEU 31 -9.815 4.809 4.648 249 HD22 LEU 31 HD22 LEU 31 -10.288 3.139 4.330 250 HD23 LEU 31 HD23 LEU 31 -8.621 3.515 4.770 251 H GLY 32 H GLY 32 -13.563 2.044 7.350 252 HA2 GLY 32 HA2 GLY 32 -12.474 -0.445 6.576 253 HA3 GLY 32 HA3 GLY 32 -13.842 -0.214 7.655 254 H SER 33 H SER 33 -15.504 1.161 5.775 255 HA SER 33 HA SER 33 -16.881 -1.008 4.695 256 HB2 SER 33 HB2 SER 33 -17.085 1.867 3.780 257 HB3 SER 33 HB3 SER 33 -18.332 0.624 3.682 258 HG SER 33 HG SER 33 -18.500 2.162 5.481 259 H LEU 34 H LEU 34 -14.915 1.456 3.012 260 HA LEU 34 HA LEU 34 -15.308 0.343 0.443 261 HB2 LEU 34 HB2 LEU 34 -13.456 2.376 1.591 262 HB3 LEU 34 HB3 LEU 34 -13.097 1.725 0.004 263 HG LEU 34 HG LEU 34 -14.303 3.797 -0.242 264 HD11 LEU 34 HD11 LEU 34 -16.037 1.419 -0.869 265 HD12 LEU 34 HD12 LEU 34 -14.773 2.102 -1.891 266 HD13 LEU 34 HD13 LEU 34 -16.234 3.031 -1.555 267 HD21 LEU 34 HD21 LEU 34 -16.570 4.103 0.605 268 HD22 LEU 34 HD22 LEU 34 -15.425 3.857 1.922 269 HD23 LEU 34 HD23 LEU 34 -16.482 2.542 1.417 270 H PHE 35 H PHE 35 -12.888 -0.208 2.918 271 HA PHE 35 HA PHE 35 -11.145 -1.719 1.240 272 HB2 PHE 35 HB2 PHE 35 -11.353 -1.250 4.186 273 HB3 PHE 35 HB3 PHE 35 -10.322 -2.547 3.592 274 HD1 PHE 35 HD1 PHE 35 -10.980 0.895 2.296 275 HD2 PHE 35 HD2 PHE 35 -8.136 -1.883 3.816 276 HE1 PHE 35 HE1 PHE 35 -9.177 2.516 1.876 277 HE2 PHE 35 HE2 PHE 35 -6.330 -0.264 3.402 278 HZ PHE 35 HZ PHE 35 -6.847 1.938 2.430 279 H GLU 36 H GLU 36 -13.603 -2.611 3.646 280 HA GLU 36 HA GLU 36 -13.223 -5.394 3.483 281 HB2 GLU 36 HB2 GLU 36 -14.425 -4.291 5.315 282 HB3 GLU 36 HB3 GLU 36 -15.712 -3.840 4.207 283 HG2 GLU 36 HG2 GLU 36 -16.178 -6.230 3.825 284 HG3 GLU 36 HG3 GLU 36 -14.941 -6.636 5.014 285 H ALA 37 H ALA 37 -15.728 -3.358 1.969 286 HA ALA 37 HA ALA 37 -16.818 -5.491 0.439 287 HB1 ALA 37 HB1 ALA 37 -18.141 -3.792 -0.667 288 HB2 ALA 37 HB2 ALA 37 -17.100 -2.524 -0.022 289 HB3 ALA 37 HB3 ALA 37 -18.101 -3.481 1.068 290 H GLY 38 H GLY 38 -14.416 -3.001 -0.184 291 HA2 GLY 38 HA2 GLY 38 -14.262 -3.304 -2.985 292 HA3 GLY 38 HA3 GLY 38 -13.022 -2.605 -1.958 293 H TYR 39 H TYR 39 -12.315 -4.751 -0.380 294 HA TYR 39 HA TYR 39 -10.431 -6.005 -2.037 295 HB2 TYR 39 HB2 TYR 39 -10.233 -5.642 0.435 296 HB3 TYR 39 HB3 TYR 39 -11.376 -6.956 0.676 297 HD1 TYR 39 HD1 TYR 39 -7.988 -6.100 -0.498 298 HD2 TYR 39 HD2 TYR 39 -10.671 -9.241 0.512 299 HE1 TYR 39 HE1 TYR 39 -6.114 -7.690 -0.506 300 HE2 TYR 39 HE2 TYR 39 -8.806 -10.844 0.504 301 HH TYR 39 HH TYR 39 -5.582 -9.914 0.544 302 H HIS 40 H HIS 40 -13.661 -6.903 -1.189 303 HA HIS 40 HA HIS 40 -13.456 -9.677 -1.710 304 HB2 HIS 40 HB2 HIS 40 -15.246 -8.888 -0.325 305 HB3 HIS 40 HB3 HIS 40 -15.821 -7.803 -1.585 306 HD1 HIS 40 HD1 HIS 40 -15.654 -11.498 -0.752 307 HD2 HIS 40 HD2 HIS 40 -17.609 -8.890 -3.339 308 HE1 HIS 40 HE1 HIS 40 -17.414 -12.875 -1.917 309 HE2 HIS 40 HE2 HIS 40 -18.404 -11.325 -3.638 310 H ASP 41 H ASP 41 -14.054 -6.910 -3.796 311 HA ASP 41 HA ASP 41 -14.555 -8.784 -6.027 312 HB2 ASP 41 HB2 ASP 41 -16.551 -7.414 -5.037 313 HB3 ASP 41 HB3 ASP 41 -15.833 -6.070 -5.913 314 H ILE 42 H ILE 42 -12.344 -6.794 -4.878 315 HA ILE 42 HA ILE 42 -11.950 -4.788 -6.799 316 HB ILE 42 HB ILE 42 -10.966 -4.678 -4.572 317 HG12 ILE 42 HG12 ILE 42 -8.641 -3.991 -5.232 318 HG13 ILE 42 HG13 ILE 42 -8.964 -4.647 -6.833 319 HG21 ILE 42 HG21 ILE 42 -10.417 -7.011 -4.249 320 HG22 ILE 42 HG22 ILE 42 -8.992 -6.005 -3.988 321 HG23 ILE 42 HG23 ILE 42 -9.169 -6.912 -5.492 322 HD11 ILE 42 HD11 ILE 42 -10.786 -3.061 -7.120 323 HD12 ILE 42 HD12 ILE 42 -9.261 -2.239 -6.781 324 HD13 ILE 42 HD13 ILE 42 -10.474 -2.407 -5.511 325 H LEU 43 H LEU 43 -10.875 -8.133 -6.745 326 HA LEU 43 HA LEU 43 -8.970 -7.583 -8.892 327 HB2 LEU 43 HB2 LEU 43 -7.978 -9.706 -8.424 328 HB3 LEU 43 HB3 LEU 43 -8.198 -8.848 -6.914 329 HG LEU 43 HG LEU 43 -10.112 -10.979 -7.863 330 HD11 LEU 43 HD11 LEU 43 -8.927 -12.510 -6.357 331 HD12 LEU 43 HD12 LEU 43 -7.704 -11.272 -6.070 332 HD13 LEU 43 HD13 LEU 43 -7.899 -11.964 -7.680 333 HD21 LEU 43 HD21 LEU 43 -9.570 -9.792 -5.139 334 HD22 LEU 43 HD22 LEU 43 -10.712 -11.089 -5.489 335 HD23 LEU 43 HD23 LEU 43 -10.981 -9.476 -6.147 336 H GLN 44 H GLN 44 -12.064 -7.998 -9.026 337 HA GLN 44 HA GLN 44 -12.446 -10.396 -10.487 338 HB2 GLN 44 HB2 GLN 44 -14.121 -7.910 -10.226 339 HB3 GLN 44 HB3 GLN 44 -14.624 -9.303 -11.173 340 HG2 GLN 44 HG2 GLN 44 -14.012 -9.291 -8.228 341 HG3 GLN 44 HG3 GLN 44 -15.614 -9.345 -8.961 342 HE21 GLN 44 HE21 GLN 44 -16.276 -11.222 -10.021 343 HE22 GLN 44 HE22 GLN 44 -15.510 -12.746 -9.741 344 H LEU 45 H LEU 45 -11.750 -7.074 -11.494 345 HA LEU 45 HA LEU 45 -12.096 -7.449 -14.259 346 HB2 LEU 45 HB2 LEU 45 -11.788 -5.245 -13.159 347 HB3 LEU 45 HB3 LEU 45 -10.108 -5.643 -12.866 348 HG LEU 45 HG LEU 45 -11.014 -5.738 -15.694 349 HD11 LEU 45 HD11 LEU 45 -12.141 -3.733 -14.927 350 HD12 LEU 45 HD12 LEU 45 -10.756 -3.304 -15.933 351 HD13 LEU 45 HD13 LEU 45 -10.651 -3.157 -14.177 352 HD21 LEU 45 HD21 LEU 45 -8.809 -4.772 -16.078 353 HD22 LEU 45 HD22 LEU 45 -8.688 -6.204 -15.057 354 HD23 LEU 45 HD23 LEU 45 -8.567 -4.598 -14.340 355 H LEU 46 H LEU 46 -9.443 -8.231 -12.114 356 HA LEU 46 HA LEU 46 -7.642 -8.981 -14.229 357 HB2 LEU 46 HB2 LEU 46 -7.562 -9.343 -11.237 358 HB3 LEU 46 HB3 LEU 46 -6.334 -10.008 -12.293 359 HG LEU 46 HG LEU 46 -5.477 -7.991 -11.385 360 HD11 LEU 46 HD11 LEU 46 -5.065 -6.653 -13.369 361 HD12 LEU 46 HD12 LEU 46 -6.408 -7.443 -14.194 362 HD13 LEU 46 HD13 LEU 46 -4.983 -8.376 -13.740 363 HD21 LEU 46 HD21 LEU 46 -7.549 -6.958 -10.662 364 HD22 LEU 46 HD22 LEU 46 -7.993 -6.630 -12.338 365 HD23 LEU 46 HD23 LEU 46 -6.595 -5.827 -11.620 366 H ALA 47 H ALA 47 -9.505 -10.713 -11.754 367 HA ALA 47 HA ALA 47 -8.736 -13.300 -12.564 368 HB1 ALA 47 HB1 ALA 47 -9.601 -12.822 -10.343 369 HB2 ALA 47 HB2 ALA 47 -10.564 -14.072 -11.132 370 HB3 ALA 47 HB3 ALA 47 -11.175 -12.421 -11.027 371 H GLY 48 H GLY 48 -11.332 -11.183 -13.588 372 HA2 GLY 48 HA2 GLY 48 -12.868 -13.118 -14.975 373 HA3 GLY 48 HA3 GLY 48 -12.919 -11.380 -15.231 374 H GLN 49 H GLN 49 -10.037 -11.271 -15.846 375 HA GLN 49 HA GLN 49 -10.207 -12.077 -18.629 376 HB2 GLN 49 HB2 GLN 49 -8.044 -10.593 -17.120 377 HB3 GLN 49 HB3 GLN 49 -8.028 -10.899 -18.853 378 HG2 GLN 49 HG2 GLN 49 -10.110 -9.603 -19.070 379 HG3 GLN 49 HG3 GLN 49 -10.037 -9.242 -17.345 380 HE21 GLN 49 HE21 GLN 49 -9.863 -7.046 -17.661 381 HE22 GLN 49 HE22 GLN 49 -8.444 -6.298 -18.308 382 H GLY 50 H GLY 50 -9.224 -13.429 -15.767 383 HA2 GLY 50 HA2 GLY 50 -8.368 -15.565 -15.457 384 HA3 GLY 50 HA3 GLY 50 -7.917 -15.607 -17.156 385 H LYS 51 H LYS 51 -7.017 -13.016 -14.967 386 HA LYS 51 HA LYS 51 -4.303 -14.109 -14.824 387 HB2 LYS 51 HB2 LYS 51 -3.388 -11.824 -15.172 388 HB3 LYS 51 HB3 LYS 51 -4.169 -12.505 -16.590 389 HG2 LYS 51 HG2 LYS 51 -6.175 -11.165 -16.096 390 HG3 LYS 51 HG3 LYS 51 -5.327 -10.441 -14.726 391 HD2 LYS 51 HD2 LYS 51 -5.208 -8.984 -16.665 392 HD3 LYS 51 HD3 LYS 51 -3.603 -9.598 -16.259 393 HE2 LYS 51 HE2 LYS 51 -3.872 -11.329 -18.009 394 HE3 LYS 51 HE3 LYS 51 -5.418 -10.605 -18.450 395 HZ1 LYS 51 HZ1 LYS 51 -3.540 -9.911 -19.874 396 HZ2 LYS 51 HZ2 LYS 51 -2.814 -9.169 -18.533 397 HZ3 LYS 51 HZ3 LYS 51 -4.311 -8.604 -19.112 398 H SER 52 H SER 52 -2.985 -12.651 -13.219 399 HA SER 52 HA SER 52 -4.669 -11.904 -10.952 400 HB2 SER 52 HB2 SER 52 -3.080 -13.262 -9.473 401 HB3 SER 52 HB3 SER 52 -4.239 -14.180 -10.436 402 HG SER 52 HG SER 52 -2.495 -14.402 -12.016 403 HA PRO 53 HA PRO 53 -1.753 -8.628 -10.230 404 HB2 PRO 53 HB2 PRO 53 -1.476 -8.837 -7.475 405 HB3 PRO 53 HB3 PRO 53 -2.763 -7.959 -8.304 406 HG2 PRO 53 HG2 PRO 53 -2.797 -10.702 -7.126 407 HG3 PRO 53 HG3 PRO 53 -4.062 -9.459 -7.120 408 HD2 PRO 53 HD2 PRO 53 -4.175 -11.556 -8.779 409 HD3 PRO 53 HD3 PRO 53 -4.725 -9.944 -9.285 410 H SER 54 H SER 54 0.418 -8.326 -10.021 411 HA SER 54 HA SER 54 2.016 -10.724 -10.073 412 HB2 SER 54 HB2 SER 54 2.860 -7.826 -10.304 413 HB3 SER 54 HB3 SER 54 3.847 -9.230 -10.704 414 HG SER 54 HG SER 54 1.869 -9.700 -12.141 415 H GLY 55 H GLY 55 0.963 -8.709 -7.632 416 HA2 GLY 55 HA2 GLY 55 2.783 -9.906 -5.752 417 HA3 GLY 55 HA3 GLY 55 3.022 -8.175 -5.952 418 HA PRO 56 HA PRO 56 -0.376 -9.013 -2.802 419 HB2 PRO 56 HB2 PRO 56 0.859 -7.835 -0.689 420 HB3 PRO 56 HB3 PRO 56 1.048 -9.550 -1.073 421 HG2 PRO 56 HG2 PRO 56 2.864 -7.254 -1.706 422 HG3 PRO 56 HG3 PRO 56 3.273 -8.869 -1.094 423 HD2 PRO 56 HD2 PRO 56 3.541 -8.200 -3.697 424 HD3 PRO 56 HD3 PRO 56 3.097 -9.841 -3.180 425 HA PRO 57 HA PRO 57 -1.832 -4.899 -3.464 426 HB2 PRO 57 HB2 PRO 57 -3.751 -4.715 -1.568 427 HB3 PRO 57 HB3 PRO 57 -3.930 -5.731 -3.003 428 HG2 PRO 57 HG2 PRO 57 -3.146 -6.503 -0.219 429 HG3 PRO 57 HG3 PRO 57 -4.252 -7.322 -1.338 430 HD2 PRO 57 HD2 PRO 57 -1.688 -8.126 -0.945 431 HD3 PRO 57 HD3 PRO 57 -2.538 -8.335 -2.489 432 H PHE 58 H PHE 58 -1.408 -2.837 -2.811 433 HA PHE 58 HA PHE 58 -0.588 -2.473 -0.011 434 HB2 PHE 58 HB2 PHE 58 1.018 -0.715 -0.814 435 HB3 PHE 58 HB3 PHE 58 1.449 -2.356 -1.270 436 HD1 PHE 58 HD2 PHE 58 0.998 -3.110 -3.640 437 HD2 PHE 58 HD1 PHE 58 0.738 0.961 -2.421 438 HE1 PHE 58 HE2 PHE 58 1.201 -2.398 -5.985 439 HE2 PHE 58 HE1 PHE 58 0.938 1.680 -4.764 440 HZ PHE 58 HZ PHE 58 1.172 -0.001 -6.552 441 H ALA 59 H ALA 59 -1.961 -1.228 0.991 442 HA ALA 59 HA ALA 59 -3.742 0.463 -0.593 443 HB1 ALA 59 HB1 ALA 59 -5.135 0.525 1.436 444 HB2 ALA 59 HB2 ALA 59 -3.927 -0.446 2.278 445 HB3 ALA 59 HB3 ALA 59 -4.804 -1.126 0.908 446 H ARG 60 H ARG 60 -3.317 2.561 -0.745 447 HA ARG 60 HA ARG 60 -1.489 3.672 1.245 448 HB2 ARG 60 HB2 ARG 60 -1.258 5.571 -0.427 449 HB3 ARG 60 HB3 ARG 60 -0.554 4.020 -0.844 450 HG2 ARG 60 HG2 ARG 60 -2.435 3.544 -2.312 451 HG3 ARG 60 HG3 ARG 60 -3.172 5.089 -1.871 452 HD2 ARG 60 HD2 ARG 60 -0.406 4.911 -3.041 453 HD3 ARG 60 HD3 ARG 60 -1.845 4.999 -4.057 454 HE ARG 60 HE ARG 60 -2.138 7.208 -3.454 455 HH11 ARG 60 HH11 ARG 60 0.463 5.797 -1.556 456 HH12 ARG 60 HH12 ARG 60 0.983 7.319 -0.894 457 HH21 ARG 60 HH21 ARG 60 -1.378 9.216 -2.635 458 HH22 ARG 60 HH22 ARG 60 -0.028 9.248 -1.531 459 H TYR 61 H TYR 61 -2.007 5.062 2.634 460 HA TYR 61 HA TYR 61 -4.687 6.234 2.655 461 HB2 TYR 61 HB2 TYR 61 -4.286 5.089 4.669 462 HB3 TYR 61 HB3 TYR 61 -2.606 5.592 4.733 463 HD1 TYR 61 HD2 TYR 61 -6.088 6.793 5.188 464 HD2 TYR 61 HD1 TYR 61 -1.962 7.490 5.953 465 HE1 TYR 61 HE2 TYR 61 -6.683 8.574 6.772 466 HE2 TYR 61 HE1 TYR 61 -2.549 9.272 7.539 467 HH TYR 61 HH TYR 61 -4.472 10.831 7.934 468 H PHE 62 H PHE 62 -4.906 8.262 2.041 469 HA PHE 62 HA PHE 62 -2.522 9.983 2.028 470 HB2 PHE 62 HB2 PHE 62 -3.516 9.043 -0.197 471 HB3 PHE 62 HB3 PHE 62 -4.756 10.268 0.047 472 HD1 PHE 62 HD1 PHE 62 -1.165 10.560 0.875 473 HD2 PHE 62 HD2 PHE 62 -4.312 11.707 -1.745 474 HE1 PHE 62 HE1 PHE 62 0.319 12.218 -0.173 475 HE2 PHE 62 HE2 PHE 62 -2.835 13.371 -2.795 476 HZ PHE 62 HZ PHE 62 -0.514 13.625 -2.010 477 H GLY 63 H GLY 63 -2.750 11.384 3.587 478 HA2 GLY 63 HA2 GLY 63 -5.287 12.891 3.790 479 HA3 GLY 63 HA3 GLY 63 -4.229 12.579 5.163 480 H MET 64 H MET 64 -2.272 13.036 2.576 481 HA MET 64 HA MET 64 -1.363 15.597 3.412 482 HB2 MET 64 HB2 MET 64 -0.757 14.067 0.872 483 HB3 MET 64 HB3 MET 64 0.105 15.497 1.412 484 HG2 MET 64 HG2 MET 64 0.005 12.859 2.874 485 HG3 MET 64 HG3 MET 64 1.336 13.429 1.870 486 HE1 MET 64 HE1 MET 64 2.864 15.505 2.479 487 HE2 MET 64 HE2 MET 64 2.637 16.504 3.913 488 HE3 MET 64 HE3 MET 64 1.437 16.530 2.619 489 H SER 65 H SER 65 -3.986 14.681 1.585 490 HA SER 65 HA SER 65 -4.058 16.878 -0.257 491 HB2 SER 65 HB2 SER 65 -6.275 14.990 0.590 492 HB3 SER 65 HB3 SER 65 -6.274 16.034 -0.835 493 HG SER 65 HG SER 65 -5.655 13.854 -1.316 494 H ALA 66 H ALA 66 -4.582 16.599 3.024 495 HA ALA 66 HA ALA 66 -5.168 18.101 4.609 496 HB1 ALA 66 HB1 ALA 66 -5.424 20.431 4.073 497 HB2 ALA 66 HB2 ALA 66 -5.650 20.051 2.366 498 HB3 ALA 66 HB3 ALA 66 -4.090 19.758 3.134 499 H GLY 67 H GLY 67 -6.931 17.650 5.691 500 HA2 GLY 67 HA2 GLY 67 -9.141 17.787 6.342 501 HA3 GLY 67 HA3 GLY 67 -9.475 18.708 4.884 502 H THR 68 H THR 68 -9.159 17.235 2.831 503 HA THR 68 HA THR 68 -11.243 15.312 2.967 504 HB THR 68 HB THR 68 -9.294 15.794 0.705 505 HG1 THR 68 HG1 THR 68 -10.255 17.684 0.624 506 HG21 THR 68 HG21 THR 68 -11.086 14.936 -0.717 507 HG22 THR 68 HG22 THR 68 -12.102 14.672 0.702 508 HG23 THR 68 HG23 THR 68 -10.622 13.734 0.487 509 H PHE 69 H PHE 69 -11.153 13.240 3.357 510 HA PHE 69 HA PHE 69 -8.611 11.917 3.824 511 HB2 PHE 69 HB2 PHE 69 -10.383 11.715 5.469 512 HB3 PHE 69 HB3 PHE 69 -11.487 11.108 4.250 513 HD1 PHE 69 HD1 PHE 69 -11.355 8.817 3.482 514 HD2 PHE 69 HD2 PHE 69 -8.708 10.307 6.463 515 HE1 PHE 69 HE1 PHE 69 -10.767 6.513 4.110 516 HE2 PHE 69 HE2 PHE 69 -8.111 8.006 7.086 517 HZ PHE 69 HZ PHE 69 -9.142 6.108 5.913 518 H GLU 70 H GLU 70 -7.646 10.880 2.217 519 HA GLU 70 HA GLU 70 -9.331 9.750 0.075 520 HB2 GLU 70 HB2 GLU 70 -8.284 11.759 -0.757 521 HB3 GLU 70 HB3 GLU 70 -6.712 11.238 -0.173 522 HG2 GLU 70 HG2 GLU 70 -6.560 9.547 -1.822 523 HG3 GLU 70 HG3 GLU 70 -8.254 9.740 -2.271 524 H VAL 71 H VAL 71 -8.946 7.678 -0.472 525 HA VAL 71 HA VAL 71 -6.395 6.478 0.333 526 HB VAL 71 HB VAL 71 -7.521 4.425 1.075 527 HG11 VAL 71 HG11 VAL 71 -8.402 5.284 3.195 528 HG12 VAL 71 HG12 VAL 71 -8.456 6.906 2.503 529 HG13 VAL 71 HG13 VAL 71 -6.906 6.096 2.729 530 HG21 VAL 71 HG21 VAL 71 -9.934 4.420 1.509 531 HG22 VAL 71 HG22 VAL 71 -9.584 4.607 -0.210 532 HG23 VAL 71 HG23 VAL 71 -10.069 6.005 0.750 533 H GLU 72 H GLU 72 -5.605 4.910 -1.014 534 HA GLU 72 HA GLU 72 -7.198 4.343 -3.427 535 HB2 GLU 72 HB2 GLU 72 -4.219 4.881 -3.418 536 HB3 GLU 72 HB3 GLU 72 -5.255 4.659 -4.824 537 HG2 GLU 72 HG2 GLU 72 -6.476 6.720 -4.188 538 HG3 GLU 72 HG3 GLU 72 -5.322 6.960 -2.882 539 H PHE 73 H PHE 73 -7.328 2.254 -3.945 540 HA PHE 73 HA PHE 73 -6.558 0.295 -2.104 541 HB2 PHE 73 HB2 PHE 73 -7.509 0.034 -4.956 542 HB3 PHE 73 HB3 PHE 73 -7.283 -1.340 -3.878 543 HD1 PHE 73 HD1 PHE 73 -8.548 -1.237 -1.618 544 HD2 PHE 73 HD2 PHE 73 -9.551 1.115 -5.018 545 HE1 PHE 73 HE1 PHE 73 -10.816 -0.915 -0.722 546 HE2 PHE 73 HE2 PHE 73 -11.821 1.443 -4.129 547 HZ PHE 73 HZ PHE 73 -12.456 0.426 -1.977 548 H GLY 74 H GLY 74 -5.338 0.627 -5.453 549 HA2 GLY 74 HA2 GLY 74 -3.219 0.375 -6.293 550 HA3 GLY 74 HA3 GLY 74 -2.633 0.483 -4.645 551 H PHE 75 H PHE 75 -3.737 -1.709 -7.173 552 HA PHE 75 HA PHE 75 -2.347 -3.883 -5.734 553 HB2 PHE 75 HB2 PHE 75 -4.593 -3.949 -7.753 554 HB3 PHE 75 HB3 PHE 75 -3.611 -5.370 -7.421 555 HD1 PHE 75 HD2 PHE 75 -5.506 -2.770 -5.507 556 HD2 PHE 75 HD1 PHE 75 -4.436 -6.868 -5.921 557 HE1 PHE 75 HE2 PHE 75 -6.955 -3.338 -3.605 558 HE2 PHE 75 HE1 PHE 75 -5.887 -7.443 -4.021 559 HZ PHE 75 HZ PHE 75 -7.149 -5.676 -2.860 560 HA PRO 76 HA PRO 76 0.631 -3.618 -9.020 561 HB2 PRO 76 HB2 PRO 76 1.847 -6.075 -8.191 562 HB3 PRO 76 HB3 PRO 76 2.366 -4.430 -7.825 563 HG2 PRO 76 HG2 PRO 76 1.387 -6.222 -5.963 564 HG3 PRO 76 HG3 PRO 76 1.405 -4.462 -5.766 565 HD2 PRO 76 HD2 PRO 76 -0.847 -6.259 -6.572 566 HD3 PRO 76 HD3 PRO 76 -0.868 -4.812 -5.540 567 H VAL 77 H VAL 77 0.538 -4.215 -11.094 568 HA VAL 77 HA VAL 77 -0.502 -6.899 -11.724 569 HB VAL 77 HB VAL 77 -1.728 -5.950 -13.648 570 HG11 VAL 77 HG11 VAL 77 -2.503 -4.794 -10.969 571 HG12 VAL 77 HG12 VAL 77 -2.934 -6.390 -11.587 572 HG13 VAL 77 HG13 VAL 77 -3.571 -4.941 -12.366 573 HG21 VAL 77 HG21 VAL 77 -0.410 -3.921 -13.958 574 HG22 VAL 77 HG22 VAL 77 -1.017 -3.282 -12.430 575 HG23 VAL 77 HG23 VAL 77 -2.122 -3.540 -13.780 576 H GLU 78 H GLU 78 -0.340 -6.910 -14.396 577 HA GLU 78 HA GLU 78 2.377 -7.285 -14.961 578 HB2 GLU 78 HB2 GLU 78 0.182 -6.783 -16.973 579 HB3 GLU 78 HB3 GLU 78 1.691 -7.643 -17.244 580 HG2 GLU 78 HG2 GLU 78 0.974 -9.414 -15.754 581 HG3 GLU 78 HG3 GLU 78 -0.523 -8.543 -15.417 582 H GLY 79 H GLY 79 0.176 -4.849 -16.318 583 HA2 GLY 79 HA2 GLY 79 1.330 -2.510 -15.931 584 HA3 GLY 79 HA3 GLY 79 2.461 -3.208 -17.083 585 H GLY 80 H GLY 80 1.167 -4.327 -18.991 586 HA2 GLY 80 HA2 GLY 80 -0.199 -2.137 -20.286 587 HA3 GLY 80 HA3 GLY 80 0.246 -3.674 -21.012 588 H VAL 81 H VAL 81 -1.772 -2.897 -18.206 589 HA VAL 81 HA VAL 81 -3.952 -4.462 -19.413 590 HB VAL 81 HB VAL 81 -3.850 -3.460 -16.570 591 HG11 VAL 81 HG11 VAL 81 -6.035 -4.157 -17.363 592 HG12 VAL 81 HG12 VAL 81 -5.428 -5.283 -16.147 593 HG13 VAL 81 HG13 VAL 81 -5.377 -5.718 -17.857 594 HG21 VAL 81 HG21 VAL 81 -1.863 -4.801 -16.874 595 HG22 VAL 81 HG22 VAL 81 -2.809 -6.086 -17.622 596 HG23 VAL 81 HG23 VAL 81 -3.039 -5.701 -15.916 597 H GLU 82 H GLU 82 -6.084 -3.551 -19.403 598 HA GLU 82 HA GLU 82 -5.996 -0.626 -19.596 599 HB2 GLU 82 HB2 GLU 82 -7.885 -2.623 -20.833 600 HB3 GLU 82 HB3 GLU 82 -8.060 -0.880 -20.974 601 HG2 GLU 82 HG2 GLU 82 -5.694 -2.471 -21.943 602 HG3 GLU 82 HG3 GLU 82 -7.023 -1.901 -22.952 603 H GLY 83 H GLY 83 -6.835 0.457 -18.013 604 HA2 GLY 83 HA2 GLY 83 -8.461 -0.684 -15.980 605 HA3 GLY 83 HA3 GLY 83 -8.100 1.025 -16.184 606 H SER 84 H SER 84 -10.590 0.320 -15.359 607 HA SER 84 HA SER 84 -12.217 0.983 -17.695 608 HB2 SER 84 HB2 SER 84 -12.179 -1.550 -17.206 609 HB3 SER 84 HB3 SER 84 -13.119 -1.154 -15.770 610 HG SER 84 HG SER 84 -14.675 -0.171 -17.181 611 H GLY 85 H GLY 85 -12.622 3.008 -16.956 612 HA2 GLY 85 HA2 GLY 85 -14.044 4.523 -15.958 613 HA3 GLY 85 HA3 GLY 85 -14.758 3.200 -15.049 614 H ARG 86 H ARG 86 -13.955 2.675 -13.024 615 HA ARG 86 HA ARG 86 -12.693 4.920 -11.709 616 HB2 ARG 86 HB2 ARG 86 -13.978 2.403 -10.676 617 HB3 ARG 86 HB3 ARG 86 -13.140 3.532 -9.620 618 HG2 ARG 86 HG2 ARG 86 -15.523 4.157 -11.351 619 HG3 ARG 86 HG3 ARG 86 -15.532 3.935 -9.599 620 HD2 ARG 86 HD2 ARG 86 -14.054 5.860 -9.341 621 HD3 ARG 86 HD3 ARG 86 -14.008 6.069 -11.091 622 HE ARG 86 HE ARG 86 -16.669 6.127 -10.008 623 HH11 ARG 86 HH11 ARG 86 -13.811 8.048 -10.661 624 HH12 ARG 86 HH12 ARG 86 -14.686 9.546 -10.740 625 HH21 ARG 86 HH21 ARG 86 -17.812 8.080 -10.105 626 HH22 ARG 86 HH22 ARG 86 -16.965 9.562 -10.419 627 H VAL 87 H VAL 87 -11.856 1.605 -12.543 628 HA VAL 87 HA VAL 87 -9.478 1.670 -10.915 629 HB VAL 87 HB VAL 87 -10.503 -0.472 -11.194 630 HG11 VAL 87 HG11 VAL 87 -10.751 -1.601 -13.315 631 HG12 VAL 87 HG12 VAL 87 -10.103 -0.195 -14.159 632 HG13 VAL 87 HG13 VAL 87 -11.644 -0.081 -13.310 633 HG21 VAL 87 HG21 VAL 87 -7.941 -0.339 -12.767 634 HG22 VAL 87 HG22 VAL 87 -8.638 -1.800 -12.067 635 HG23 VAL 87 HG23 VAL 87 -8.095 -0.493 -11.017 636 H VAL 88 H VAL 88 -7.874 2.952 -11.470 637 HA VAL 88 HA VAL 88 -7.403 3.443 -14.326 638 HB VAL 88 HB VAL 88 -6.162 5.451 -13.639 639 HG11 VAL 88 HG11 VAL 88 -8.517 5.663 -14.153 640 HG12 VAL 88 HG12 VAL 88 -8.086 6.761 -12.842 641 HG13 VAL 88 HG13 VAL 88 -8.944 5.259 -12.489 642 HG21 VAL 88 HG21 VAL 88 -7.013 4.698 -10.843 643 HG22 VAL 88 HG22 VAL 88 -6.274 6.231 -11.306 644 HG23 VAL 88 HG23 VAL 88 -5.363 4.729 -11.464 645 H THR 89 H THR 89 -5.227 3.596 -15.086 646 HA THR 89 HA THR 89 -3.509 1.587 -13.875 647 HB THR 89 HB THR 89 -2.180 1.966 -16.029 648 HG1 THR 89 HG1 THR 89 -2.897 3.850 -16.852 649 HG21 THR 89 HG21 THR 89 -3.721 0.627 -17.366 650 HG22 THR 89 HG22 THR 89 -5.045 1.039 -16.275 651 HG23 THR 89 HG23 THR 89 -3.696 0.060 -15.695 652 H GLY 90 H GLY 90 -1.390 1.963 -13.257 653 HA2 GLY 90 HA2 GLY 90 0.000 4.388 -13.739 654 HA3 GLY 90 HA3 GLY 90 -0.686 4.395 -12.118 655 H LEU 91 H LEU 91 1.593 4.488 -11.461 656 HA LEU 91 HA LEU 91 2.477 1.813 -10.842 657 HB2 LEU 91 HB2 LEU 91 4.644 1.921 -11.729 658 HB3 LEU 91 HB3 LEU 91 3.609 2.470 -13.030 659 HG LEU 91 HG LEU 91 5.137 4.344 -11.223 660 HD11 LEU 91 HD11 LEU 91 6.690 2.907 -12.439 661 HD12 LEU 91 HD12 LEU 91 6.737 4.561 -13.049 662 HD13 LEU 91 HD13 LEU 91 5.885 3.311 -13.955 663 HD21 LEU 91 HD21 LEU 91 4.717 5.969 -12.995 664 HD22 LEU 91 HD22 LEU 91 3.205 5.329 -12.349 665 HD23 LEU 91 HD23 LEU 91 3.813 4.755 -13.903 666 H THR 92 H THR 92 4.038 1.785 -9.112 667 HA THR 92 HA THR 92 3.714 4.045 -7.337 668 HB THR 92 HB THR 92 3.536 1.852 -6.341 669 HG1 THR 92 HG1 THR 92 6.068 2.866 -5.528 670 HG21 THR 92 HG21 THR 92 4.856 0.550 -7.899 671 HG22 THR 92 HG22 THR 92 5.454 0.297 -6.259 672 HG23 THR 92 HG23 THR 92 6.332 1.352 -7.367 673 HA PRO 93 HA PRO 93 7.526 5.976 -8.464 674 HB2 PRO 93 HB2 PRO 93 7.624 7.200 -5.816 675 HB3 PRO 93 HB3 PRO 93 7.323 7.956 -7.381 676 HG2 PRO 93 HG2 PRO 93 5.402 7.696 -5.493 677 HG3 PRO 93 HG3 PRO 93 5.048 7.670 -7.230 678 HD2 PRO 93 HD2 PRO 93 5.292 5.381 -5.313 679 HD3 PRO 93 HD3 PRO 93 4.114 5.640 -6.617 680 H SER 94 H SER 94 9.750 6.008 -7.977 681 HA SER 94 HA SER 94 10.579 3.952 -6.057 682 HB2 SER 94 HB2 SER 94 12.759 4.104 -7.429 683 HB3 SER 94 HB3 SER 94 11.357 3.356 -8.198 684 HG SER 94 HG SER 94 12.761 5.363 -9.107 685 H GLY 95 H GLY 95 11.854 4.452 -4.369 686 HA2 GLY 95 HA2 GLY 95 13.758 6.367 -4.063 687 HA3 GLY 95 HA3 GLY 95 12.258 7.232 -3.748 688 H LYS 96 H LYS 96 13.514 7.424 -1.633 689 HA LYS 96 HA LYS 96 13.580 5.084 0.038 690 HB2 LYS 96 HB2 LYS 96 13.985 7.990 0.764 691 HB3 LYS 96 HB3 LYS 96 14.354 6.613 1.791 692 HG2 LYS 96 HG2 LYS 96 15.671 7.214 -0.847 693 HG3 LYS 96 HG3 LYS 96 16.347 7.576 0.740 694 HD2 LYS 96 HD2 LYS 96 16.200 5.114 1.249 695 HD3 LYS 96 HD3 LYS 96 15.782 4.864 -0.449 696 HE2 LYS 96 HE2 LYS 96 17.879 5.933 -1.117 697 HE3 LYS 96 HE3 LYS 96 18.294 6.178 0.577 698 HZ1 LYS 96 HZ1 LYS 96 18.073 3.597 -0.875 699 HZ2 LYS 96 HZ2 LYS 96 18.194 3.704 0.815 700 HZ3 LYS 96 HZ3 LYS 96 19.452 4.282 -0.161 701 H ALA 97 H ALA 97 12.119 4.446 1.499 702 HA ALA 97 HA ALA 97 10.005 6.246 2.363 703 HB1 ALA 97 HB1 ALA 97 9.046 5.292 0.353 704 HB2 ALA 97 HB2 ALA 97 8.233 4.627 1.771 705 HB3 ALA 97 HB3 ALA 97 9.434 3.664 0.910 706 H ALA 98 H ALA 98 9.251 5.732 4.388 707 HA ALA 98 HA ALA 98 10.917 3.893 5.853 708 HB1 ALA 98 HB1 ALA 98 9.793 4.723 7.832 709 HB2 ALA 98 HB2 ALA 98 8.609 5.565 6.833 710 HB3 ALA 98 HB3 ALA 98 10.300 6.067 6.808 711 H SER 99 H SER 99 10.496 1.821 5.629 712 HA SER 99 HA SER 99 7.723 0.894 5.565 713 HB2 SER 99 HB2 SER 99 10.299 -0.594 4.997 714 HB3 SER 99 HB3 SER 99 8.668 -1.237 4.788 715 HG SER 99 HG SER 99 8.332 0.512 3.267 716 H SER 100 H SER 100 6.852 0.213 7.400 717 HA SER 100 HA SER 100 8.615 -1.027 9.408 718 HB2 SER 100 HB2 SER 100 7.373 1.076 10.089 719 HB3 SER 100 HB3 SER 100 5.873 0.164 9.898 720 HG SER 100 HG SER 100 7.734 0.096 11.905 721 H LEU 101 H LEU 101 8.408 -3.160 9.578 722 HA LEU 101 HA LEU 101 6.169 -4.493 8.314 723 HB2 LEU 101 HB2 LEU 101 8.583 -5.270 8.171 724 HB3 LEU 101 HB3 LEU 101 8.431 -5.762 9.847 725 HG LEU 101 HG LEU 101 6.560 -7.274 9.178 726 HD11 LEU 101 HD11 LEU 101 7.411 -6.507 6.390 727 HD12 LEU 101 HD12 LEU 101 5.886 -6.081 7.162 728 HD13 LEU 101 HD13 LEU 101 6.254 -7.769 6.809 729 HD21 LEU 101 HD21 LEU 101 7.996 -8.963 8.139 730 HD22 LEU 101 HD22 LEU 101 8.833 -8.125 9.446 731 HD23 LEU 101 HD23 LEU 101 9.191 -7.720 7.767 732 H TYR 102 H TYR 102 4.345 -4.388 9.474 733 HA TYR 102 HA TYR 102 4.448 -4.383 12.366 734 HB2 TYR 102 HB2 TYR 102 2.895 -2.929 10.963 735 HB3 TYR 102 HB3 TYR 102 1.969 -4.391 10.643 736 HD1 TYR 102 HD1 TYR 102 2.937 -1.941 13.195 737 HD2 TYR 102 HD2 TYR 102 0.596 -5.398 12.377 738 HE1 TYR 102 HE1 TYR 102 1.696 -1.586 15.285 739 HE2 TYR 102 HE2 TYR 102 -0.649 -5.051 14.470 740 HH TYR 102 HH TYR 102 -0.602 -2.198 16.182 741 H ILE 103 H ILE 103 4.866 -6.305 13.229 742 HA ILE 103 HA ILE 103 3.251 -8.611 12.374 743 HB ILE 103 HB ILE 103 5.810 -8.581 13.991 744 HG12 ILE 103 HG12 ILE 103 6.197 -7.977 11.640 745 HG13 ILE 103 HG13 ILE 103 6.858 -9.569 11.999 746 HG21 ILE 103 HG21 ILE 103 4.360 -10.442 14.595 747 HG22 ILE 103 HG22 ILE 103 5.778 -11.014 13.715 748 HG23 ILE 103 HG23 ILE 103 4.221 -10.896 12.896 749 HD11 ILE 103 HD11 ILE 103 4.899 -10.605 10.948 750 HD12 ILE 103 HD12 ILE 103 5.774 -9.552 9.835 751 HD13 ILE 103 HD13 ILE 103 4.268 -9.002 10.568 752 H GLY 104 H GLY 104 1.502 -8.874 13.623 753 HA2 GLY 104 HA2 GLY 104 1.321 -9.542 16.203 754 HA3 GLY 104 HA3 GLY 104 1.457 -7.793 16.319 755 HA PRO 105 HA PRO 105 -3.042 -8.625 15.829 756 HB2 PRO 105 HB2 PRO 105 -3.854 -6.750 17.603 757 HB3 PRO 105 HB3 PRO 105 -3.361 -8.372 18.098 758 HG2 PRO 105 HG2 PRO 105 -1.820 -5.813 18.185 759 HG3 PRO 105 HG3 PRO 105 -1.900 -7.113 19.386 760 HD2 PRO 105 HD2 PRO 105 0.163 -6.814 17.623 761 HD3 PRO 105 HD3 PRO 105 -0.327 -8.380 18.298 762 H TYR 106 H TYR 106 -4.036 -7.680 14.142 763 HA TYR 106 HA TYR 106 -3.017 -5.074 13.299 764 HB2 TYR 106 HB2 TYR 106 -3.225 -7.251 11.810 765 HB3 TYR 106 HB3 TYR 106 -4.881 -6.684 11.608 766 HD1 TYR 106 HD2 TYR 106 -1.446 -5.213 11.576 767 HD2 TYR 106 HD1 TYR 106 -5.264 -5.409 9.708 768 HE1 TYR 106 HE2 TYR 106 -0.675 -3.646 9.851 769 HE2 TYR 106 HE1 TYR 106 -4.501 -3.839 7.974 770 HH TYR 106 HH TYR 106 -2.811 -2.160 7.600 771 H GLY 107 H GLY 107 -4.539 -3.509 12.399 772 HA2 GLY 107 HA2 GLY 107 -6.855 -2.672 12.436 773 HA3 GLY 107 HA3 GLY 107 -7.026 -3.477 13.996 774 H GLU 108 H GLU 108 -4.638 -2.821 15.172 775 HA GLU 108 HA GLU 108 -4.973 -0.008 15.763 776 HB2 GLU 108 HB2 GLU 108 -3.073 -2.083 16.875 777 HB3 GLU 108 HB3 GLU 108 -3.195 -0.428 17.454 778 HG2 GLU 108 HG2 GLU 108 -5.466 -0.799 18.167 779 HG3 GLU 108 HG3 GLU 108 -5.446 -2.425 17.489 780 H ILE 109 H ILE 109 -4.384 0.555 13.515 781 HA ILE 109 HA ILE 109 -1.706 0.100 12.612 782 HB ILE 109 HB ILE 109 -3.660 0.362 11.079 783 HG12 ILE 109 HG12 ILE 109 -2.458 1.867 9.439 784 HG13 ILE 109 HG13 ILE 109 -1.290 2.196 10.715 785 HG21 ILE 109 HG21 ILE 109 -4.437 2.620 10.518 786 HG22 ILE 109 HG22 ILE 109 -3.463 3.272 11.837 787 HG23 ILE 109 HG23 ILE 109 -4.807 2.184 12.186 788 HD11 ILE 109 HD11 ILE 109 -1.902 -0.512 9.549 789 HD12 ILE 109 HD12 ILE 109 -0.710 -0.166 10.803 790 HD13 ILE 109 HD13 ILE 109 -0.494 0.484 9.177 791 H GLU 110 H GLU 110 -3.328 2.555 14.463 792 HA GLU 110 HA GLU 110 -1.387 4.604 14.038 793 HB2 GLU 110 HB2 GLU 110 -3.404 4.285 16.263 794 HB3 GLU 110 HB3 GLU 110 -2.468 5.739 15.939 795 HG2 GLU 110 HG2 GLU 110 -3.509 5.792 13.663 796 HG3 GLU 110 HG3 GLU 110 -4.570 4.486 14.193 797 H ALA 111 H ALA 111 -1.557 1.835 16.053 798 HA ALA 111 HA ALA 111 0.154 2.571 18.142 799 HB1 ALA 111 HB1 ALA 111 -1.200 0.523 18.162 800 HB2 ALA 111 HB2 ALA 111 0.499 0.193 18.501 801 HB3 ALA 111 HB3 ALA 111 -0.168 -0.163 16.907 802 H VAL 112 H VAL 112 0.841 1.324 14.901 803 HA VAL 112 HA VAL 112 3.680 1.312 15.383 804 HB VAL 112 HB VAL 112 2.562 -0.253 13.762 805 HG11 VAL 112 HG11 VAL 112 2.426 2.194 12.011 806 HG12 VAL 112 HG12 VAL 112 1.054 1.297 12.664 807 HG13 VAL 112 HG13 VAL 112 2.127 0.535 11.489 808 HG21 VAL 112 HG21 VAL 112 4.805 1.450 12.701 809 HG22 VAL 112 HG22 VAL 112 4.376 -0.159 12.121 810 HG23 VAL 112 HG23 VAL 112 4.961 0.058 13.771 811 H TYR 113 H TYR 113 1.296 3.526 14.133 812 HA TYR 113 HA TYR 113 3.001 5.345 12.846 813 HB2 TYR 113 HB2 TYR 113 0.339 5.705 14.206 814 HB3 TYR 113 HB3 TYR 113 1.196 7.059 13.481 815 HD1 TYR 113 HD1 TYR 113 2.309 5.694 11.056 816 HD2 TYR 113 HD2 TYR 113 -1.552 5.522 12.829 817 HE1 TYR 113 HE1 TYR 113 1.334 5.166 8.862 818 HE2 TYR 113 HE2 TYR 113 -2.537 4.984 10.642 819 HH TYR 113 HH TYR 113 -0.736 4.013 7.995 820 H ASP 114 H ASP 114 2.113 4.974 16.246 821 HA ASP 114 HA ASP 114 3.325 7.263 17.294 822 HB2 ASP 114 HB2 ASP 114 1.954 5.523 18.547 823 HB3 ASP 114 HB3 ASP 114 3.411 4.538 18.602 824 H ALA 115 H ALA 115 4.728 4.047 16.756 825 HA ALA 115 HA ALA 115 7.368 4.681 17.487 826 HB1 ALA 115 HB1 ALA 115 6.401 2.574 15.554 827 HB2 ALA 115 HB2 ALA 115 6.570 2.378 17.299 828 HB3 ALA 115 HB3 ALA 115 7.997 2.638 16.296 829 H LEU 116 H LEU 116 5.744 4.659 14.334 830 HA LEU 116 HA LEU 116 7.923 5.377 12.739 831 HB2 LEU 116 HB2 LEU 116 4.982 5.966 12.426 832 HB3 LEU 116 HB3 LEU 116 6.171 6.316 11.187 833 HG LEU 116 HG LEU 116 5.630 3.555 12.278 834 HD11 LEU 116 HD11 LEU 116 4.455 3.135 10.189 835 HD12 LEU 116 HD12 LEU 116 4.683 4.817 9.709 836 HD13 LEU 116 HD13 LEU 116 3.673 4.425 11.101 837 HD21 LEU 116 HD21 LEU 116 7.871 3.835 11.374 838 HD22 LEU 116 HD22 LEU 116 7.202 4.506 9.888 839 HD23 LEU 116 HD23 LEU 116 6.892 2.823 10.313 840 H MET 117 H MET 117 5.647 7.358 14.548 841 HA MET 117 HA MET 117 6.404 9.882 13.636 842 HB2 MET 117 HB2 MET 117 4.418 9.556 14.988 843 HB3 MET 117 HB3 MET 117 5.388 9.013 16.349 844 HG2 MET 117 HG2 MET 117 6.392 11.247 16.504 845 HG3 MET 117 HG3 MET 117 5.372 11.782 15.168 846 HE1 MET 117 HE1 MET 117 5.420 10.457 18.881 847 HE2 MET 117 HE2 MET 117 4.393 9.300 18.034 848 HE3 MET 117 HE3 MET 117 3.692 10.381 19.235 849 H LYS 118 H LYS 118 7.783 7.840 16.156 850 HA LYS 118 HA LYS 118 9.534 9.861 17.148 851 HB2 LYS 118 HB2 LYS 118 8.870 8.129 18.653 852 HB3 LYS 118 HB3 LYS 118 9.452 6.875 17.564 853 HG2 LYS 118 HG2 LYS 118 11.739 7.584 17.922 854 HG3 LYS 118 HG3 LYS 118 11.191 8.908 18.949 855 HD2 LYS 118 HD2 LYS 118 10.347 7.356 20.584 856 HD3 LYS 118 HD3 LYS 118 10.705 5.986 19.526 857 HE2 LYS 118 HE2 LYS 118 12.382 6.330 21.336 858 HE3 LYS 118 HE3 LYS 118 13.061 6.373 19.711 859 HZ1 LYS 118 HZ1 LYS 118 13.933 8.138 21.141 860 HZ2 LYS 118 HZ2 LYS 118 12.372 8.773 21.330 861 HZ3 LYS 118 HZ3 LYS 118 13.111 8.772 19.803 862 H TRP 119 H TRP 119 9.997 7.066 14.977 863 HA TRP 119 HA TRP 119 12.807 7.215 14.995 864 HB2 TRP 119 HB2 TRP 119 12.773 5.436 13.568 865 HB3 TRP 119 HB3 TRP 119 11.095 5.362 14.079 866 HD1 TRP 119 HD1 TRP 119 9.239 5.881 12.224 867 HE1 TRP 119 HE1 TRP 119 9.374 6.185 9.670 868 HE3 TRP 119 HE3 TRP 119 14.256 6.356 11.709 869 HZ2 TRP 119 HZ2 TRP 119 11.355 6.530 7.695 870 HZ3 TRP 119 HZ3 TRP 119 15.225 6.644 9.465 871 HH2 TRP 119 HH2 TRP 119 13.791 6.739 7.493 872 H VAL 120 H VAL 120 10.418 8.605 12.793 873 HA VAL 120 HA VAL 120 12.392 9.696 11.015 874 HB VAL 120 HB VAL 120 10.167 9.004 10.265 875 HG11 VAL 120 HG11 VAL 120 8.235 10.434 10.696 876 HG12 VAL 120 HG12 VAL 120 9.207 11.350 11.849 877 HG13 VAL 120 HG13 VAL 120 8.858 9.646 12.146 878 HG21 VAL 120 HG21 VAL 120 9.713 10.903 8.796 879 HG22 VAL 120 HG22 VAL 120 11.446 10.593 8.924 880 HG23 VAL 120 HG23 VAL 120 10.721 11.931 9.817 881 H ASP 121 H ASP 121 10.560 10.803 13.743 882 HA ASP 121 HA ASP 121 11.095 13.545 13.688 883 HB2 ASP 121 HB2 ASP 121 9.602 12.506 15.337 884 HB3 ASP 121 HB3 ASP 121 10.974 11.698 16.085 885 H ASP 122 H ASP 122 13.086 10.825 14.673 886 HA ASP 122 HA ASP 122 15.266 12.306 15.702 887 HB2 ASP 122 HB2 ASP 122 14.970 9.922 16.169 888 HB3 ASP 122 HB3 ASP 122 15.215 9.543 14.468 889 H ASN 123 H ASN 123 14.305 11.428 12.471 890 HA ASN 123 HA ASN 123 16.812 12.233 11.276 891 HB2 ASN 123 HB2 ASN 123 14.137 11.797 9.923 892 HB3 ASN 123 HB3 ASN 123 15.697 11.937 9.124 893 HD21 ASN 123 HD21 ASN 123 13.479 9.871 10.668 894 HD22 ASN 123 HD22 ASN 123 14.407 8.420 10.570 895 H GLY 124 H GLY 124 13.888 13.713 12.291 896 HA2 GLY 124 HA2 GLY 124 13.489 16.010 12.452 897 HA3 GLY 124 HA3 GLY 124 14.822 16.300 11.342 898 H PHE 125 H PHE 125 12.020 14.175 10.919 899 HA PHE 125 HA PHE 125 10.846 16.044 9.021 900 HB2 PHE 125 HB2 PHE 125 12.504 14.329 7.892 901 HB3 PHE 125 HB3 PHE 125 11.171 13.204 8.106 902 HD1 PHE 125 HD1 PHE 125 11.967 16.544 6.665 903 HD2 PHE 125 HD2 PHE 125 9.471 13.099 6.534 904 HE1 PHE 125 HE1 PHE 125 10.912 17.390 4.611 905 HE2 PHE 125 HE2 PHE 125 8.413 13.942 4.480 906 HZ PHE 125 HZ PHE 125 9.132 16.089 3.517 907 H ASP 126 H ASP 126 8.709 15.129 8.215 908 HA ASP 126 HA ASP 126 7.435 13.057 9.698 909 HB2 ASP 126 HB2 ASP 126 5.869 14.339 10.993 910 HB3 ASP 126 HB3 ASP 126 7.481 14.916 11.400 911 H LEU 127 H LEU 127 5.279 12.672 8.986 912 HA LEU 127 HA LEU 127 4.430 14.212 6.625 913 HB2 LEU 127 HB2 LEU 127 4.381 11.218 7.033 914 HB3 LEU 127 HB3 LEU 127 3.386 12.016 5.834 915 HG LEU 127 HG LEU 127 5.242 11.173 4.663 916 HD11 LEU 127 HD11 LEU 127 6.373 13.154 3.818 917 HD12 LEU 127 HD12 LEU 127 5.815 14.079 5.211 918 HD13 LEU 127 HD13 LEU 127 4.650 13.455 4.045 919 HD21 LEU 127 HD21 LEU 127 6.686 10.698 6.574 920 HD22 LEU 127 HD22 LEU 127 7.043 12.419 6.732 921 HD23 LEU 127 HD23 LEU 127 7.565 11.540 5.295 922 H SER 128 H SER 128 2.262 14.777 6.601 923 HA SER 128 HA SER 128 0.902 14.374 9.122 924 HB2 SER 128 HB2 SER 128 -0.724 16.028 8.239 925 HB3 SER 128 HB3 SER 128 0.938 16.618 8.205 926 HG SER 128 HG SER 128 -0.800 16.256 6.170 927 H GLY 129 H GLY 129 0.856 12.954 6.006 928 HA2 GLY 129 HA2 GLY 129 -0.876 10.916 6.770 929 HA3 GLY 129 HA3 GLY 129 -1.858 12.128 5.970 930 H GLU 130 H GLU 130 1.035 10.132 5.510 931 HA GLU 130 HA GLU 130 0.033 9.350 2.915 932 HB2 GLU 130 HB2 GLU 130 1.293 11.221 2.162 933 HB3 GLU 130 HB3 GLU 130 2.614 10.871 3.263 934 HG2 GLU 130 HG2 GLU 130 3.188 10.375 0.944 935 HG3 GLU 130 HG3 GLU 130 3.245 8.939 1.959 936 H ALA 131 H ALA 131 -0.089 7.257 3.469 937 HA ALA 131 HA ALA 131 2.404 5.835 3.898 938 HB1 ALA 131 HB1 ALA 131 1.783 6.471 6.177 939 HB2 ALA 131 HB2 ALA 131 1.695 4.725 5.944 940 HB3 ALA 131 HB3 ALA 131 0.217 5.688 5.969 941 H TYR 132 H TYR 132 2.340 4.013 2.751 942 HA TYR 132 HA TYR 132 -0.304 2.857 2.187 943 HB2 TYR 132 HB2 TYR 132 1.044 1.685 0.273 944 HB3 TYR 132 HB3 TYR 132 0.473 3.334 0.075 945 HD1 TYR 132 HD2 TYR 132 2.037 5.201 0.087 946 HD2 TYR 132 HD1 TYR 132 3.411 1.191 0.468 947 HE1 TYR 132 HE2 TYR 132 4.319 5.940 -0.444 948 HE2 TYR 132 HE1 TYR 132 5.696 1.922 -0.070 949 HH TYR 132 HH TYR 132 6.614 5.197 -0.112 950 H GLU 133 H GLU 133 -0.777 1.052 3.150 951 HA GLU 133 HA GLU 133 1.367 -0.524 4.349 952 HB2 GLU 133 HB2 GLU 133 -0.579 -1.688 5.500 953 HB3 GLU 133 HB3 GLU 133 -0.302 -0.007 5.929 954 HG2 GLU 133 HG2 GLU 133 -2.090 0.577 4.236 955 HG3 GLU 133 HG3 GLU 133 -2.462 -1.145 4.182 956 H ILE 134 H ILE 134 2.123 -2.212 3.354 957 HA ILE 134 HA ILE 134 0.643 -3.374 1.123 958 HB ILE 134 HB ILE 134 3.450 -4.051 2.011 959 HG12 ILE 134 HG12 ILE 134 2.593 -1.991 -0.037 960 HG13 ILE 134 HG13 ILE 134 3.253 -1.623 1.552 961 HG21 ILE 134 HG21 ILE 134 3.701 -4.796 -0.321 962 HG22 ILE 134 HG22 ILE 134 2.007 -4.401 -0.617 963 HG23 ILE 134 HG23 ILE 134 2.430 -5.676 0.526 964 HD11 ILE 134 HD11 ILE 134 4.941 -1.382 -0.159 965 HD12 ILE 134 HD12 ILE 134 4.682 -3.047 -0.678 966 HD13 ILE 134 HD13 ILE 134 5.348 -2.715 0.920 967 H TYR 135 H TYR 135 -0.654 -5.032 1.572 968 HA TYR 135 HA TYR 135 -0.271 -6.619 3.955 969 HB2 TYR 135 HB2 TYR 135 -2.299 -6.975 1.738 970 HB3 TYR 135 HB3 TYR 135 -2.340 -7.743 3.319 971 HD1 TYR 135 HD1 TYR 135 -2.561 -6.201 5.375 972 HD2 TYR 135 HD2 TYR 135 -3.345 -4.925 1.392 973 HE1 TYR 135 HE1 TYR 135 -3.908 -4.336 6.239 974 HE2 TYR 135 HE2 TYR 135 -4.688 -3.054 2.249 975 HH TYR 135 HH TYR 135 -4.630 -2.047 5.442 976 H LEU 136 H LEU 136 1.619 -7.742 3.670 977 HA LEU 136 HA LEU 136 2.249 -9.139 1.257 978 HB2 LEU 136 HB2 LEU 136 3.461 -9.384 4.016 979 HB3 LEU 136 HB3 LEU 136 4.147 -10.036 2.540 980 HG LEU 136 HG LEU 136 3.730 -7.093 3.084 981 HD11 LEU 136 HD11 LEU 136 6.165 -7.007 3.319 982 HD12 LEU 136 HD12 LEU 136 6.242 -8.763 3.167 983 HD13 LEU 136 HD13 LEU 136 5.429 -8.031 4.551 984 HD21 LEU 136 HD21 LEU 136 5.184 -8.519 0.859 985 HD22 LEU 136 HD22 LEU 136 5.116 -6.773 1.101 986 HD23 LEU 136 HD23 LEU 136 3.646 -7.667 0.711 987 H ASP 137 H ASP 137 1.315 -10.170 4.520 988 HA ASP 137 HA ASP 137 0.516 -12.765 3.389 989 HB2 ASP 137 HB2 ASP 137 1.445 -11.944 6.123 990 HB3 ASP 137 HB3 ASP 137 0.448 -13.380 5.929 991 H ASN 138 H ASN 138 -1.571 -12.872 2.953 992 HA ASN 138 HA ASN 138 -3.421 -11.084 4.331 993 HB2 ASN 138 HB2 ASN 138 -3.646 -12.737 1.814 994 HB3 ASN 138 HB3 ASN 138 -5.033 -11.927 2.537 995 HD21 ASN 138 HD21 ASN 138 -1.969 -11.492 0.934 996 HD22 ASN 138 HD22 ASN 138 -2.202 -9.826 0.525 997 HA PRO 139 HA PRO 139 -5.091 -14.102 7.028 998 HB2 PRO 139 HB2 PRO 139 -7.732 -13.281 7.021 999 HB3 PRO 139 HB3 PRO 139 -6.451 -12.561 8.000 1000 HG2 PRO 139 HG2 PRO 139 -7.601 -11.640 5.402 1001 HG3 PRO 139 HG3 PRO 139 -7.098 -10.684 6.809 1002 HD2 PRO 139 HD2 PRO 139 -5.573 -10.863 4.604 1003 HD3 PRO 139 HD3 PRO 139 -4.859 -10.777 6.228 1004 H ALA 140 H ALA 140 -6.400 -15.923 7.136 1005 HA ALA 140 HA ALA 140 -7.600 -17.716 6.444 1006 HB1 ALA 140 HB1 ALA 140 -9.081 -17.604 4.509 1007 HB2 ALA 140 HB2 ALA 140 -8.377 -16.051 4.058 1008 HB3 ALA 140 HB3 ALA 140 -9.284 -16.203 5.562 1009 H GLU 141 H GLU 141 -5.498 -16.149 4.137 1010 HA GLU 141 HA GLU 141 -4.886 -18.672 2.826 1011 HB2 GLU 141 HB2 GLU 141 -5.051 -16.529 1.538 1012 HB3 GLU 141 HB3 GLU 141 -3.642 -15.945 2.412 1013 HG2 GLU 141 HG2 GLU 141 -3.004 -16.733 0.227 1014 HG3 GLU 141 HG3 GLU 141 -2.310 -17.772 1.471 1015 H THR 142 H THR 142 -3.209 -16.178 4.734 1016 HA THR 142 HA THR 142 -0.952 -17.980 5.119 1017 HB THR 142 HB THR 142 -0.694 -15.489 4.579 1018 HG1 THR 142 HG1 THR 142 1.244 -15.618 5.488 1019 HG21 THR 142 HG21 THR 142 -1.368 -15.261 7.518 1020 HG22 THR 142 HG22 THR 142 -2.324 -14.619 6.181 1021 HG23 THR 142 HG23 THR 142 -0.717 -13.968 6.510 1022 H ALA 143 H ALA 143 -0.009 -17.416 7.541 1023 HA ALA 143 HA ALA 143 -1.788 -18.943 9.225 1024 HB1 ALA 143 HB1 ALA 143 0.608 -19.437 9.122 1025 HB2 ALA 143 HB2 ALA 143 0.097 -19.022 10.758 1026 HB3 ALA 143 HB3 ALA 143 0.960 -17.839 9.777 1027 HA PRO 144 HA PRO 144 -3.153 -15.571 11.865 1028 HB2 PRO 144 HB2 PRO 144 -3.290 -16.926 14.227 1029 HB3 PRO 144 HB3 PRO 144 -4.532 -17.037 12.975 1030 HG2 PRO 144 HG2 PRO 144 -2.292 -18.916 13.598 1031 HG3 PRO 144 HG3 PRO 144 -3.974 -19.276 13.164 1032 HD2 PRO 144 HD2 PRO 144 -1.940 -19.442 11.391 1033 HD3 PRO 144 HD3 PRO 144 -3.584 -18.983 10.912 1034 H ASP 145 H ASP 145 -2.259 -14.216 13.395 1035 HA ASP 145 HA ASP 145 -0.676 -13.177 14.657 1036 HB2 ASP 145 HB2 ASP 145 -0.471 -15.164 16.023 1037 HB3 ASP 145 HB3 ASP 145 0.574 -15.924 14.827 1038 H GLN 146 H GLN 146 0.384 -15.182 12.010 1039 HA GLN 146 HA GLN 146 2.752 -13.547 11.546 1040 HB2 GLN 146 HB2 GLN 146 2.382 -16.173 11.170 1041 HB3 GLN 146 HB3 GLN 146 1.827 -15.619 9.598 1042 HG2 GLN 146 HG2 GLN 146 4.528 -14.989 10.781 1043 HG3 GLN 146 HG3 GLN 146 4.209 -16.306 9.658 1044 HE21 GLN 146 HE21 GLN 146 3.687 -15.822 7.518 1045 HE22 GLN 146 HE22 GLN 146 4.038 -14.281 6.806 1046 H LEU 147 H LEU 147 0.325 -12.192 11.491 1047 HA LEU 147 HA LEU 147 -0.471 -11.792 8.752 1048 HB2 LEU 147 HB2 LEU 147 -1.661 -11.307 11.179 1049 HB3 LEU 147 HB3 LEU 147 -1.134 -9.703 10.711 1050 HG LEU 147 HG LEU 147 -3.455 -10.149 10.034 1051 HD11 LEU 147 HD11 LEU 147 -2.159 -8.574 8.719 1052 HD12 LEU 147 HD12 LEU 147 -3.247 -9.491 7.675 1053 HD13 LEU 147 HD13 LEU 147 -1.530 -9.888 7.726 1054 HD21 LEU 147 HD21 LEU 147 -2.242 -12.295 8.292 1055 HD22 LEU 147 HD22 LEU 147 -3.929 -11.784 8.282 1056 HD23 LEU 147 HD23 LEU 147 -3.253 -12.565 9.711 1057 H ARG 148 H ARG 148 1.207 -11.112 7.568 1058 HA ARG 148 HA ARG 148 3.071 -9.176 8.692 1059 HB2 ARG 148 HB2 ARG 148 3.830 -11.326 7.636 1060 HB3 ARG 148 HB3 ARG 148 3.265 -10.696 6.094 1061 HG2 ARG 148 HG2 ARG 148 4.825 -8.790 6.365 1062 HG3 ARG 148 HG3 ARG 148 5.454 -9.567 7.819 1063 HD2 ARG 148 HD2 ARG 148 5.538 -10.610 4.997 1064 HD3 ARG 148 HD3 ARG 148 6.902 -10.117 6.000 1065 HE ARG 148 HE ARG 148 5.317 -12.272 7.086 1066 HH11 ARG 148 HH11 ARG 148 8.065 -11.387 5.108 1067 HH12 ARG 148 HH12 ARG 148 8.817 -12.952 5.227 1068 HH21 ARG 148 HH21 ARG 148 6.308 -14.337 7.250 1069 HH22 ARG 148 HH22 ARG 148 7.815 -14.628 6.439 1070 H THR 149 H THR 149 2.321 -7.143 8.439 1071 HA THR 149 HA THR 149 1.677 -6.325 5.685 1072 HB THR 149 HB THR 149 0.827 -4.932 8.234 1073 HG1 THR 149 HG1 THR 149 -1.313 -5.726 7.279 1074 HG21 THR 149 HG21 THR 149 -0.624 -3.639 6.739 1075 HG22 THR 149 HG22 THR 149 0.037 -4.500 5.349 1076 HG23 THR 149 HG23 THR 149 1.075 -3.443 6.306 1077 H ARG 150 H ARG 150 3.063 -5.009 4.733 1078 HA ARG 150 HA ARG 150 5.157 -3.732 6.341 1079 HB2 ARG 150 HB2 ARG 150 5.797 -5.136 4.361 1080 HB3 ARG 150 HB3 ARG 150 4.950 -3.991 3.328 1081 HG2 ARG 150 HG2 ARG 150 6.484 -2.212 4.231 1082 HG3 ARG 150 HG3 ARG 150 7.418 -3.511 4.973 1083 HD2 ARG 150 HD2 ARG 150 6.859 -3.155 2.030 1084 HD3 ARG 150 HD3 ARG 150 8.393 -2.858 2.842 1085 HE ARG 150 HE ARG 150 7.195 -5.466 2.261 1086 HH11 ARG 150 HH11 ARG 150 9.828 -3.620 3.611 1087 HH12 ARG 150 HH12 ARG 150 10.969 -4.926 3.540 1088 HH21 ARG 150 HH21 ARG 150 8.691 -7.208 2.142 1089 HH22 ARG 150 HH22 ARG 150 10.317 -6.977 2.712 1090 H VAL 151 H VAL 151 4.139 -1.899 7.153 1091 HA VAL 151 HA VAL 151 2.667 -0.197 5.299 1092 HB VAL 151 HB VAL 151 1.624 -0.486 7.456 1093 HG11 VAL 151 HG11 VAL 151 2.654 0.289 9.541 1094 HG12 VAL 151 HG12 VAL 151 4.141 0.650 8.668 1095 HG13 VAL 151 HG13 VAL 151 3.582 -1.016 8.803 1096 HG21 VAL 151 HG21 VAL 151 1.329 1.683 6.401 1097 HG22 VAL 151 HG22 VAL 151 2.786 2.287 7.189 1098 HG23 VAL 151 HG23 VAL 151 1.374 1.860 8.157 1099 H SER 152 H SER 152 3.613 1.348 4.203 1100 HA SER 152 HA SER 152 6.173 2.399 5.210 1101 HB2 SER 152 HB2 SER 152 5.512 1.931 2.298 1102 HB3 SER 152 HB3 SER 152 7.076 2.359 2.991 1103 HG SER 152 HG SER 152 5.674 -0.040 3.561 1104 H LEU 153 H LEU 153 6.187 4.525 5.485 1105 HA LEU 153 HA LEU 153 4.185 6.090 4.018 1106 HB2 LEU 153 HB2 LEU 153 4.632 7.938 5.620 1107 HB3 LEU 153 HB3 LEU 153 3.931 6.509 6.328 1108 HG LEU 153 HG LEU 153 5.506 7.526 7.837 1109 HD11 LEU 153 HD11 LEU 153 6.978 5.638 8.308 1110 HD12 LEU 153 HD12 LEU 153 6.573 4.942 6.739 1111 HD13 LEU 153 HD13 LEU 153 5.323 5.134 7.968 1112 HD21 LEU 153 HD21 LEU 153 6.931 8.666 6.252 1113 HD22 LEU 153 HD22 LEU 153 7.594 7.124 5.710 1114 HD23 LEU 153 HD23 LEU 153 7.886 7.681 7.359 1115 H MET 154 H MET 154 4.808 8.119 2.996 1116 HA MET 154 HA MET 154 7.293 7.524 1.585 1117 HB2 MET 154 HB2 MET 154 5.218 7.728 0.296 1118 HB3 MET 154 HB3 MET 154 5.035 9.385 0.849 1119 HG2 MET 154 HG2 MET 154 6.756 10.159 -0.471 1120 HG3 MET 154 HG3 MET 154 7.514 8.572 -0.591 1121 HE1 MET 154 HE1 MET 154 3.653 9.013 -1.025 1122 HE2 MET 154 HE2 MET 154 3.509 9.437 -2.731 1123 HE3 MET 154 HE3 MET 154 4.235 10.576 -1.597 1124 H LEU 155 H LEU 155 9.067 8.574 1.921 1125 HA LEU 155 HA LEU 155 9.096 10.828 3.738 1126 HB2 LEU 155 HB2 LEU 155 10.825 8.671 3.078 1127 HB3 LEU 155 HB3 LEU 155 11.690 10.156 2.742 1128 HG LEU 155 HG LEU 155 12.097 9.219 5.012 1129 HD11 LEU 155 HD11 LEU 155 11.842 11.347 6.202 1130 HD12 LEU 155 HD12 LEU 155 10.809 11.935 4.898 1131 HD13 LEU 155 HD13 LEU 155 12.501 11.556 4.580 1132 HD21 LEU 155 HD21 LEU 155 9.216 9.979 5.462 1133 HD22 LEU 155 HD22 LEU 155 10.359 9.493 6.716 1134 HD23 LEU 155 HD23 LEU 155 9.879 8.346 5.465 1135 H HIS 156 H HIS 156 10.678 12.601 3.286 1136 HA HIS 156 HA HIS 156 11.352 14.417 2.130 1137 HB2 HIS 156 HB2 HIS 156 12.809 12.601 1.144 1138 HB3 HIS 156 HB3 HIS 156 11.699 12.561 -0.221 1139 HD1 HIS 156 HD1 HIS 156 11.716 14.642 -1.825 1140 HD2 HIS 156 HD2 HIS 156 14.559 14.763 1.208 1141 HE1 HIS 156 HE1 HIS 156 13.341 16.444 -2.487 1142 HE2 HIS 156 HE2 HIS 156 15.128 16.398 -0.715 1143 H GLU 157 H GLU 157 8.864 14.797 2.290 1144 HA GLU 157 HA GLU 157 7.123 15.974 1.418 1145 HB2 GLU 157 HB2 GLU 157 9.117 16.523 -0.783 1146 HB3 GLU 157 HB3 GLU 157 7.610 17.395 -0.543 1147 HG2 GLU 157 HG2 GLU 157 8.375 18.295 1.524 1148 HG3 GLU 157 HG3 GLU 157 9.808 17.265 1.501 1149 H SER 158 H SER 158 7.514 13.115 0.578 1150 HA SER 158 HA SER 158 6.394 11.583 -0.656 1151 HB2 SER 158 HB2 SER 158 4.799 13.922 -1.741 1152 HB3 SER 158 HB3 SER 158 4.363 12.216 -1.856 1153 HG SER 158 HG SER 158 4.842 13.386 0.656 1154 H LEU 159 H LEU 159 6.060 10.856 -2.947 1155 HA LEU 159 HA LEU 159 8.071 12.118 -4.687 1156 HB2 LEU 159 HB2 LEU 159 7.180 9.238 -4.559 1157 HB3 LEU 159 HB3 LEU 159 8.343 9.878 -5.704 1158 HG LEU 159 HG LEU 159 8.712 9.831 -2.706 1159 HD11 LEU 159 HD11 LEU 159 9.946 8.106 -4.851 1160 HD12 LEU 159 HD12 LEU 159 8.751 7.586 -3.664 1161 HD13 LEU 159 HD13 LEU 159 10.358 8.082 -3.137 1162 HD21 LEU 159 HD21 LEU 159 11.012 10.472 -3.203 1163 HD22 LEU 159 HD22 LEU 159 9.875 11.684 -3.795 1164 HD23 LEU 159 HD23 LEU 159 10.627 10.555 -4.923 1165 H GLU 160 H GLU 160 4.969 12.289 -4.342 1166 HA GLU 160 HA GLU 160 4.517 12.674 -7.166 1167 HB2 GLU 160 HB2 GLU 160 3.690 10.396 -6.856 1168 HB3 GLU 160 HB3 GLU 160 2.701 10.919 -5.500 1169 HG2 GLU 160 HG2 GLU 160 1.383 12.329 -6.997 1170 HG3 GLU 160 HG3 GLU 160 2.376 11.812 -8.358 1171 H HIS 161 H HIS 161 3.556 14.551 -7.470 1172 HA HIS 161 HA HIS 161 2.161 16.322 -7.273 1173 HB2 HIS 161 HB2 HIS 161 0.967 14.589 -5.150 1174 HB3 HIS 161 HB3 HIS 161 0.489 16.278 -5.248 1175 HD1 HIS 161 HD1 HIS 161 -0.757 13.190 -6.255 1176 HD2 HIS 161 HD2 HIS 161 -0.118 16.783 -8.261 1177 HE1 HIS 161 HE1 HIS 161 -2.277 13.137 -8.258 1178 HE2 HIS 161 HE2 HIS 161 -2.035 15.414 -9.319 1179 H HIS 162 H HIS 162 3.944 15.280 -4.476 1180 HA HIS 162 HA HIS 162 5.264 16.407 -3.015 1181 HB2 HIS 162 HB2 HIS 162 4.669 18.680 -4.892 1182 HB3 HIS 162 HB3 HIS 162 5.574 18.942 -3.406 1183 HD1 HIS 162 HD1 HIS 162 5.869 17.535 -6.834 1184 HD2 HIS 162 HD2 HIS 162 8.149 17.775 -3.358 1185 HE1 HIS 162 HE1 HIS 162 8.214 16.933 -7.512 1186 HE2 HIS 162 HE2 HIS 162 9.601 17.248 -5.435 1187 H HIS 163 H HIS 163 2.594 18.634 -3.795 1188 HA HIS 163 HA HIS 163 1.130 19.782 -2.517 1189 HB2 HIS 163 HB2 HIS 163 1.794 17.590 -0.583 1190 HB3 HIS 163 HB3 HIS 163 0.841 18.971 -0.051 1191 HD1 HIS 163 HD1 HIS 163 0.554 15.758 -1.745 1192 HD2 HIS 163 HD2 HIS 163 -1.623 19.295 -1.591 1193 HE1 HIS 163 HE1 HIS 163 -1.729 15.184 -2.632 1194 HE2 HIS 163 HE2 HIS 163 -3.063 17.322 -2.455 1195 H HIS 164 H HIS 164 1.638 21.756 -2.088 1196 HA HIS 164 HA HIS 164 4.209 22.348 -0.844 1197 HB2 HIS 164 HB2 HIS 164 3.734 24.685 -1.664 1198 HB3 HIS 164 HB3 HIS 164 3.852 23.469 -2.931 1199 HD1 HIS 164 HD1 HIS 164 1.319 25.638 -1.151 1200 HD2 HIS 164 HD2 HIS 164 1.561 23.096 -4.437 1201 HE1 HIS 164 HE1 HIS 164 -0.823 25.967 -2.425 1202 HE2 HIS 164 HE2 HIS 164 -0.597 24.521 -4.478 1203 H HIS 165 H HIS 165 3.906 24.796 0.225 1204 HA HIS 165 HA HIS 165 2.620 24.249 2.714 1205 HB2 HIS 165 HB2 HIS 165 3.870 26.758 1.585 1206 HB3 HIS 165 HB3 HIS 165 3.165 26.682 3.196 1207 HD1 HIS 165 HD1 HIS 165 4.654 25.878 5.034 1208 HD2 HIS 165 HD2 HIS 165 6.143 24.931 1.262 1209 HE1 HIS 165 HE1 HIS 165 6.940 24.906 5.424 1210 HE2 HIS 165 HE2 HIS 165 7.868 24.432 3.128 1211 H HIS 166 H HIS 166 0.813 25.319 3.621 1212 HA HIS 166 HA HIS 166 -1.211 25.809 1.586 1213 HB2 HIS 166 HB2 HIS 166 -1.502 25.493 4.581 1214 HB3 HIS 166 HB3 HIS 166 -2.826 25.591 3.425 1215 HD1 HIS 166 HD1 HIS 166 -2.176 23.132 5.357 1216 HD2 HIS 166 HD2 HIS 166 -1.315 23.403 1.299 1217 HE1 HIS 166 HE1 HIS 166 -1.949 20.761 4.553 1218 HE2 HIS 166 HE2 HIS 166 -1.147 20.976 2.171 Start of MODEL 20 1 H1 MET 1 H1 MET 1 18.902 -10.759 15.901 2 H2 MET 1 H2 MET 1 17.472 -11.485 15.359 3 H3 MET 1 H3 MET 1 17.472 -9.853 15.835 4 HA MET 1 HA MET 1 17.423 -10.055 13.441 5 HB2 MET 1 HB2 MET 1 19.284 -8.571 12.938 6 HB3 MET 1 HB3 MET 1 18.563 -8.124 14.475 7 HG2 MET 1 HG2 MET 1 21.068 -9.766 14.179 8 HG3 MET 1 HG3 MET 1 21.033 -8.027 14.450 9 HE1 MET 1 HE1 MET 1 22.256 -9.270 17.924 10 HE2 MET 1 HE2 MET 1 22.544 -8.170 16.575 11 HE3 MET 1 HE3 MET 1 22.706 -9.911 16.344 12 H ASP 2 H ASP 2 19.456 -10.116 11.699 13 HA ASP 2 HA ASP 2 20.736 -11.460 10.382 14 HB2 ASP 2 HB2 ASP 2 22.062 -12.001 12.442 15 HB3 ASP 2 HB3 ASP 2 20.979 -13.362 12.725 16 H PHE 3 H PHE 3 19.052 -13.789 12.474 17 HA PHE 3 HA PHE 3 17.749 -15.065 10.251 18 HB2 PHE 3 HB2 PHE 3 18.332 -16.154 12.482 19 HB3 PHE 3 HB3 PHE 3 17.017 -15.224 13.188 20 HD1 PHE 3 HD2 PHE 3 17.843 -17.866 10.755 21 HD2 PHE 3 HD1 PHE 3 14.766 -15.918 12.959 22 HE1 PHE 3 HE2 PHE 3 16.273 -19.656 10.136 23 HE2 PHE 3 HE1 PHE 3 13.191 -17.707 12.344 24 HZ PHE 3 HZ PHE 3 13.945 -19.578 10.932 25 H GLU 4 H GLU 4 15.566 -14.752 9.618 26 HA GLU 4 HA GLU 4 14.759 -12.073 9.677 27 HB2 GLU 4 HB2 GLU 4 14.184 -13.645 7.870 28 HB3 GLU 4 HB3 GLU 4 13.069 -14.466 8.954 29 HG2 GLU 4 HG2 GLU 4 11.834 -12.997 7.522 30 HG3 GLU 4 HG3 GLU 4 11.786 -12.369 9.168 31 H CYS 5 H CYS 5 14.496 -11.281 11.674 32 HA CYS 5 HA CYS 5 11.913 -11.620 12.880 33 HB2 CYS 5 HB2 CYS 5 14.423 -12.338 14.420 34 HB3 CYS 5 HB3 CYS 5 12.882 -11.976 15.188 35 HG CYS 5 HG CYS 5 12.406 -14.284 12.914 36 H GLN 6 H GLN 6 11.695 -10.016 14.713 37 HA GLN 6 HA GLN 6 11.807 -7.950 15.567 38 HB2 GLN 6 HB2 GLN 6 14.629 -7.958 14.502 39 HB3 GLN 6 HB3 GLN 6 13.946 -6.717 15.535 40 HG2 GLN 6 HG2 GLN 6 13.556 -8.428 17.273 41 HG3 GLN 6 HG3 GLN 6 14.368 -9.605 16.240 42 HE21 GLN 6 HE21 GLN 6 14.757 -6.816 18.269 43 HE22 GLN 6 HE22 GLN 6 16.485 -6.876 18.364 44 H PHE 7 H PHE 7 11.301 -5.903 14.992 45 HA PHE 7 HA PHE 7 10.827 -5.412 12.197 46 HB2 PHE 7 HB2 PHE 7 9.760 -3.327 12.979 47 HB3 PHE 7 HB3 PHE 7 9.152 -4.735 13.840 48 HD1 PHE 7 HD1 PHE 7 9.704 -5.095 16.185 49 HD2 PHE 7 HD2 PHE 7 11.029 -1.627 14.107 50 HE1 PHE 7 HE1 PHE 7 10.219 -4.012 18.331 51 HE2 PHE 7 HE2 PHE 7 11.554 -0.541 16.251 52 HZ PHE 7 HZ PHE 7 11.148 -1.734 18.365 53 H VAL 8 H VAL 8 11.678 -3.743 10.960 54 HA VAL 8 HA VAL 8 13.972 -2.310 12.105 55 HB VAL 8 HB VAL 8 14.759 -3.921 10.441 56 HG11 VAL 8 HG11 VAL 8 12.933 -2.484 8.523 57 HG12 VAL 8 HG12 VAL 8 12.803 -4.160 9.054 58 HG13 VAL 8 HG13 VAL 8 14.168 -3.654 8.059 59 HG21 VAL 8 HG21 VAL 8 15.973 -1.833 10.670 60 HG22 VAL 8 HG22 VAL 8 14.923 -1.068 9.478 61 HG23 VAL 8 HG23 VAL 8 16.000 -2.379 8.993 62 H CYS 9 H CYS 9 13.907 -0.139 11.984 63 HA CYS 9 HA CYS 9 11.623 1.041 10.563 64 HB2 CYS 9 HB2 CYS 9 13.182 2.148 12.909 65 HB3 CYS 9 HB3 CYS 9 11.761 2.883 12.171 66 HG CYS 9 HG CYS 9 10.404 0.233 12.809 67 H GLU 10 H GLU 10 12.213 1.863 8.672 68 HA GLU 10 HA GLU 10 14.564 3.613 8.580 69 HB2 GLU 10 HB2 GLU 10 13.957 1.486 6.513 70 HB3 GLU 10 HB3 GLU 10 15.237 2.682 6.401 71 HG2 GLU 10 HG2 GLU 10 16.271 1.679 8.427 72 HG3 GLU 10 HG3 GLU 10 15.033 0.425 8.380 73 H LEU 11 H LEU 11 14.521 5.086 6.763 74 HA LEU 11 HA LEU 11 11.877 5.809 5.868 75 HB2 LEU 11 HB2 LEU 11 13.312 7.622 6.377 76 HB3 LEU 11 HB3 LEU 11 14.643 6.938 5.462 77 HG LEU 11 HG LEU 11 13.501 9.005 4.514 78 HD11 LEU 11 HD11 LEU 11 13.696 6.576 2.749 79 HD12 LEU 11 HD12 LEU 11 15.018 7.660 3.181 80 HD13 LEU 11 HD13 LEU 11 13.675 8.252 2.203 81 HD21 LEU 11 HD21 LEU 11 11.198 8.367 4.902 82 HD22 LEU 11 HD22 LEU 11 11.378 6.992 3.813 83 HD23 LEU 11 HD23 LEU 11 11.486 8.635 3.183 84 H LYS 12 H LYS 12 10.945 5.056 4.087 85 HA LYS 12 HA LYS 12 12.662 3.614 2.178 86 HB2 LYS 12 HB2 LYS 12 9.842 2.939 3.042 87 HB3 LYS 12 HB3 LYS 12 10.714 2.125 1.751 88 HG2 LYS 12 HG2 LYS 12 11.588 2.210 4.633 89 HG3 LYS 12 HG3 LYS 12 10.730 0.871 3.866 90 HD2 LYS 12 HD2 LYS 12 12.568 0.516 2.339 91 HD3 LYS 12 HD3 LYS 12 13.405 1.938 2.969 92 HE2 LYS 12 HE2 LYS 12 13.484 0.831 5.193 93 HE3 LYS 12 HE3 LYS 12 12.781 -0.608 4.457 94 HZ1 LYS 12 HZ1 LYS 12 15.271 -0.578 4.705 95 HZ2 LYS 12 HZ2 LYS 12 15.305 0.602 3.483 96 HZ3 LYS 12 HZ3 LYS 12 14.689 -0.948 3.154 97 H GLU 13 H GLU 13 12.382 3.946 0.059 98 HA GLU 13 HA GLU 13 10.435 5.975 -0.759 99 HB2 GLU 13 HB2 GLU 13 12.792 6.355 -1.379 100 HB3 GLU 13 HB3 GLU 13 12.816 4.818 -2.232 101 HG2 GLU 13 HG2 GLU 13 11.144 5.655 -3.797 102 HG3 GLU 13 HG3 GLU 13 11.102 7.194 -2.938 103 H LEU 14 H LEU 14 8.598 5.282 -1.580 104 HA LEU 14 HA LEU 14 8.087 2.568 -2.196 105 HB2 LEU 14 HB2 LEU 14 6.511 5.043 -2.911 106 HB3 LEU 14 HB3 LEU 14 5.914 3.400 -3.034 107 HG LEU 14 HG LEU 14 6.700 4.803 -0.480 108 HD11 LEU 14 HD11 LEU 14 4.640 5.687 -1.397 109 HD12 LEU 14 HD12 LEU 14 4.296 4.695 0.020 110 HD13 LEU 14 HD13 LEU 14 4.000 4.055 -1.596 111 HD21 LEU 14 HD21 LEU 14 7.144 2.397 -0.401 112 HD22 LEU 14 HD22 LEU 14 5.486 2.074 -0.909 113 HD23 LEU 14 HD23 LEU 14 5.797 2.844 0.648 114 H ALA 15 H ALA 15 8.997 1.573 -3.867 115 HA ALA 15 HA ALA 15 9.864 2.973 -6.201 116 HB1 ALA 15 HB1 ALA 15 10.625 0.799 -6.981 117 HB2 ALA 15 HB2 ALA 15 9.722 0.003 -5.693 118 HB3 ALA 15 HB3 ALA 15 11.090 1.044 -5.298 119 HA PRO 16 HA PRO 16 6.184 2.570 -8.637 120 HB2 PRO 16 HB2 PRO 16 7.283 2.733 -11.118 121 HB3 PRO 16 HB3 PRO 16 7.104 4.135 -10.058 122 HG2 PRO 16 HG2 PRO 16 9.515 2.435 -10.563 123 HG3 PRO 16 HG3 PRO 16 9.398 4.201 -10.444 124 HD2 PRO 16 HD2 PRO 16 10.273 2.664 -8.395 125 HD3 PRO 16 HD3 PRO 16 9.370 4.170 -8.135 126 H VAL 17 H VAL 17 5.063 0.820 -9.189 127 HA VAL 17 HA VAL 17 6.416 -1.383 -10.569 128 HB VAL 17 HB VAL 17 6.377 -2.040 -8.222 129 HG11 VAL 17 HG11 VAL 17 4.609 -0.603 -7.411 130 HG12 VAL 17 HG12 VAL 17 4.280 -2.281 -6.978 131 HG13 VAL 17 HG13 VAL 17 3.412 -1.530 -8.316 132 HG21 VAL 17 HG21 VAL 17 4.233 -3.500 -9.753 133 HG22 VAL 17 HG22 VAL 17 5.105 -4.115 -8.349 134 HG23 VAL 17 HG23 VAL 17 5.968 -3.800 -9.856 135 HA PRO 18 HA PRO 18 2.788 -1.235 -13.199 136 HB2 PRO 18 HB2 PRO 18 3.273 -4.152 -13.477 137 HB3 PRO 18 HB3 PRO 18 3.133 -2.911 -14.727 138 HG2 PRO 18 HG2 PRO 18 5.502 -3.965 -14.101 139 HG3 PRO 18 HG3 PRO 18 5.339 -2.245 -14.499 140 HD2 PRO 18 HD2 PRO 18 5.653 -3.551 -11.828 141 HD3 PRO 18 HD3 PRO 18 6.350 -2.033 -12.430 142 H ALA 19 H ALA 19 0.818 -1.151 -12.348 143 HA ALA 19 HA ALA 19 -0.285 -3.454 -10.965 144 HB1 ALA 19 HB1 ALA 19 0.887 -2.244 -9.183 145 HB2 ALA 19 HB2 ALA 19 -0.861 -2.203 -8.953 146 HB3 ALA 19 HB3 ALA 19 -0.021 -0.785 -9.580 147 H LEU 20 H LEU 20 -2.577 -3.110 -10.420 148 HA LEU 20 HA LEU 20 -3.883 -1.280 -12.307 149 HB2 LEU 20 HB2 LEU 20 -4.473 -3.768 -12.172 150 HB3 LEU 20 HB3 LEU 20 -5.167 -3.418 -10.601 151 HG LEU 20 HG LEU 20 -6.694 -1.786 -11.734 152 HD11 LEU 20 HD11 LEU 20 -5.374 -1.415 -13.750 153 HD12 LEU 20 HD12 LEU 20 -6.999 -1.977 -14.142 154 HD13 LEU 20 HD13 LEU 20 -5.635 -3.091 -14.231 155 HD21 LEU 20 HD21 LEU 20 -6.846 -4.654 -12.632 156 HD22 LEU 20 HD22 LEU 20 -8.185 -3.505 -12.634 157 HD23 LEU 20 HD23 LEU 20 -7.452 -4.007 -11.108 158 H LEU 21 H LEU 21 -4.768 0.584 -11.503 159 HA LEU 21 HA LEU 21 -5.037 0.807 -8.597 160 HB2 LEU 21 HB2 LEU 21 -3.577 2.713 -8.439 161 HB3 LEU 21 HB3 LEU 21 -2.696 1.358 -9.113 162 HG LEU 21 HG LEU 21 -3.852 3.541 -10.846 163 HD11 LEU 21 HD11 LEU 21 -1.643 4.566 -10.859 164 HD12 LEU 21 HD12 LEU 21 -1.075 3.385 -9.680 165 HD13 LEU 21 HD13 LEU 21 -2.317 4.553 -9.230 166 HD21 LEU 21 HD21 LEU 21 -2.162 2.772 -12.436 167 HD22 LEU 21 HD22 LEU 21 -3.267 1.471 -11.991 168 HD23 LEU 21 HD23 LEU 21 -1.648 1.531 -11.293 169 H ILE 22 H ILE 22 -6.153 2.610 -7.864 170 HA ILE 22 HA ILE 22 -7.098 4.566 -9.768 171 HB ILE 22 HB ILE 22 -8.924 3.007 -9.902 172 HG12 ILE 22 HG12 ILE 22 -10.795 4.369 -9.008 173 HG13 ILE 22 HG13 ILE 22 -9.642 5.298 -8.057 174 HG21 ILE 22 HG21 ILE 22 -9.041 3.069 -6.890 175 HG22 ILE 22 HG22 ILE 22 -8.503 1.717 -7.885 176 HG23 ILE 22 HG23 ILE 22 -10.185 2.243 -7.947 177 HD11 ILE 22 HD11 ILE 22 -8.593 6.111 -10.094 178 HD12 ILE 22 HD12 ILE 22 -10.318 6.475 -10.083 179 HD13 ILE 22 HD13 ILE 22 -9.705 5.145 -11.064 180 H ARG 23 H ARG 23 -6.316 6.334 -8.836 181 HA ARG 23 HA ARG 23 -6.220 6.591 -5.970 182 HB2 ARG 23 HB2 ARG 23 -5.208 8.783 -6.337 183 HB3 ARG 23 HB3 ARG 23 -4.396 7.557 -7.292 184 HG2 ARG 23 HG2 ARG 23 -6.461 9.449 -8.391 185 HG3 ARG 23 HG3 ARG 23 -4.724 9.741 -8.441 186 HD2 ARG 23 HD2 ARG 23 -4.446 7.645 -9.712 187 HD3 ARG 23 HD3 ARG 23 -6.195 7.440 -9.713 188 HE ARG 23 HE ARG 23 -4.637 9.259 -11.331 189 HH11 ARG 23 HH11 ARG 23 -7.822 8.593 -10.013 190 HH12 ARG 23 HH12 ARG 23 -8.657 9.374 -11.319 191 HH21 ARG 23 HH21 ARG 23 -5.755 10.283 -13.047 192 HH22 ARG 23 HH22 ARG 23 -7.494 10.318 -13.034 193 H THR 24 H THR 24 -7.815 7.178 -4.801 194 HA THR 24 HA THR 24 -10.056 8.641 -6.035 195 HB THR 24 HB THR 24 -10.047 6.376 -4.054 196 HG1 THR 24 HG1 THR 24 -10.038 6.306 -6.610 197 HG21 THR 24 HG21 THR 24 -12.485 6.521 -4.030 198 HG22 THR 24 HG22 THR 24 -12.406 7.977 -5.022 199 HG23 THR 24 HG23 THR 24 -11.742 7.985 -3.388 200 H GLN 25 H GLN 25 -10.054 10.658 -5.142 201 HA GLN 25 HA GLN 25 -9.242 11.019 -2.396 202 HB2 GLN 25 HB2 GLN 25 -9.865 13.364 -2.670 203 HB3 GLN 25 HB3 GLN 25 -8.831 12.831 -3.985 204 HG2 GLN 25 HG2 GLN 25 -10.617 12.804 -5.517 205 HG3 GLN 25 HG3 GLN 25 -11.822 12.921 -4.236 206 HE21 GLN 25 HE21 GLN 25 -9.507 14.646 -6.167 207 HE22 GLN 25 HE22 GLN 25 -10.031 16.241 -5.725 208 H THR 26 H THR 26 -10.516 10.836 -0.658 209 HA THR 26 HA THR 26 -13.201 9.882 -1.308 210 HB THR 26 HB THR 26 -11.733 8.426 0.049 211 HG1 THR 26 HG1 THR 26 -14.153 8.568 0.233 212 HG21 THR 26 HG21 THR 26 -11.348 8.961 2.409 213 HG22 THR 26 HG22 THR 26 -12.077 10.549 2.167 214 HG23 THR 26 HG23 THR 26 -10.571 10.137 1.347 215 H ALA 27 H ALA 27 -15.049 10.706 -0.581 216 HA ALA 27 HA ALA 27 -14.959 13.400 0.514 217 HB1 ALA 27 HB1 ALA 27 -16.407 12.891 -1.410 218 HB2 ALA 27 HB2 ALA 27 -17.318 13.502 -0.029 219 HB3 ALA 27 HB3 ALA 27 -17.333 11.778 -0.402 220 H MET 28 H MET 28 -16.924 13.830 2.069 221 HA MET 28 HA MET 28 -16.330 12.645 4.521 222 HB2 MET 28 HB2 MET 28 -18.783 14.205 3.689 223 HB3 MET 28 HB3 MET 28 -18.366 13.806 5.348 224 HG2 MET 28 HG2 MET 28 -16.342 15.134 5.182 225 HG3 MET 28 HG3 MET 28 -16.701 15.496 3.495 226 HE1 MET 28 HE1 MET 28 -17.825 15.954 7.217 227 HE2 MET 28 HE2 MET 28 -19.293 15.306 6.486 228 HE3 MET 28 HE3 MET 28 -19.251 16.977 7.051 229 H SER 29 H SER 29 -16.837 10.756 5.250 230 HA SER 29 HA SER 29 -18.006 8.913 5.874 231 HB2 SER 29 HB2 SER 29 -20.350 10.250 4.505 232 HB3 SER 29 HB3 SER 29 -20.449 8.819 5.531 233 HG SER 29 HG SER 29 -20.902 10.886 6.585 234 H GLU 30 H GLU 30 -16.862 9.467 3.017 235 HA GLU 30 HA GLU 30 -18.206 7.285 1.604 236 HB2 GLU 30 HB2 GLU 30 -17.758 9.374 0.387 237 HB3 GLU 30 HB3 GLU 30 -16.038 9.191 0.692 238 HG2 GLU 30 HG2 GLU 30 -16.053 7.110 -0.624 239 HG3 GLU 30 HG3 GLU 30 -17.763 7.368 -0.968 240 H LEU 31 H LEU 31 -15.651 7.744 3.686 241 HA LEU 31 HA LEU 31 -13.538 6.277 2.636 242 HB2 LEU 31 HB2 LEU 31 -13.583 7.749 4.692 243 HB3 LEU 31 HB3 LEU 31 -14.326 6.417 5.549 244 HG LEU 31 HG LEU 31 -11.829 6.763 5.882 245 HD11 LEU 31 HD11 LEU 31 -11.338 4.355 5.874 246 HD12 LEU 31 HD12 LEU 31 -12.807 4.073 4.939 247 HD13 LEU 31 HD13 LEU 31 -12.914 4.716 6.578 248 HD21 LEU 31 HD21 LEU 31 -11.274 7.190 3.535 249 HD22 LEU 31 HD22 LEU 31 -11.709 5.527 3.138 250 HD23 LEU 31 HD23 LEU 31 -10.342 5.850 4.205 251 H GLY 32 H GLY 32 -16.084 5.148 4.874 252 HA2 GLY 32 HA2 GLY 32 -15.272 2.427 4.802 253 HA3 GLY 32 HA3 GLY 32 -16.826 3.024 5.362 254 H SER 33 H SER 33 -17.602 4.277 2.921 255 HA SER 33 HA SER 33 -18.860 2.106 1.651 256 HB2 SER 33 HB2 SER 33 -18.520 4.937 0.639 257 HB3 SER 33 HB3 SER 33 -19.721 3.772 0.083 258 HG SER 33 HG SER 33 -20.342 3.735 2.431 259 H LEU 34 H LEU 34 -15.931 3.899 0.913 260 HA LEU 34 HA LEU 34 -15.582 2.895 -1.704 261 HB2 LEU 34 HB2 LEU 34 -14.389 4.865 -0.866 262 HB3 LEU 34 HB3 LEU 34 -13.501 3.854 0.260 263 HG LEU 34 HG LEU 34 -12.497 2.649 -1.668 264 HD11 LEU 34 HD11 LEU 34 -13.812 4.804 -3.318 265 HD12 LEU 34 HD12 LEU 34 -14.276 3.103 -3.302 266 HD13 LEU 34 HD13 LEU 34 -12.685 3.577 -3.899 267 HD21 LEU 34 HD21 LEU 34 -12.102 5.634 -1.661 268 HD22 LEU 34 HD22 LEU 34 -10.981 4.442 -2.322 269 HD23 LEU 34 HD23 LEU 34 -11.312 4.477 -0.589 270 H PHE 35 H PHE 35 -14.471 1.738 1.465 271 HA PHE 35 HA PHE 35 -12.995 -0.450 0.402 272 HB2 PHE 35 HB2 PHE 35 -14.123 0.094 3.145 273 HB3 PHE 35 HB3 PHE 35 -13.222 -1.371 2.767 274 HD1 PHE 35 HD1 PHE 35 -10.886 -1.021 1.705 275 HD2 PHE 35 HD2 PHE 35 -12.986 1.968 3.879 276 HE1 PHE 35 HE1 PHE 35 -8.766 0.156 2.123 277 HE2 PHE 35 HE2 PHE 35 -10.873 3.154 4.300 278 HZ PHE 35 HZ PHE 35 -8.758 2.249 3.421 279 H GLU 36 H GLU 36 -16.296 -0.059 1.557 280 HA GLU 36 HA GLU 36 -17.229 -2.661 1.453 281 HB2 GLU 36 HB2 GLU 36 -18.591 -0.826 2.268 282 HB3 GLU 36 HB3 GLU 36 -18.625 -0.094 0.671 283 HG2 GLU 36 HG2 GLU 36 -20.720 -1.134 1.025 284 HG3 GLU 36 HG3 GLU 36 -19.837 -2.114 -0.146 285 H ALA 37 H ALA 37 -17.149 -0.281 -1.189 286 HA ALA 37 HA ALA 37 -18.054 -2.189 -3.133 287 HB1 ALA 37 HB1 ALA 37 -17.694 -0.384 -4.749 288 HB2 ALA 37 HB2 ALA 37 -16.898 0.572 -3.499 289 HB3 ALA 37 HB3 ALA 37 -18.609 0.173 -3.348 290 H GLY 38 H GLY 38 -14.946 -0.741 -2.262 291 HA2 GLY 38 HA2 GLY 38 -13.470 -1.455 -4.509 292 HA3 GLY 38 HA3 GLY 38 -12.799 -1.156 -2.917 293 H TYR 39 H TYR 39 -13.880 -3.305 -1.490 294 HA TYR 39 HA TYR 39 -12.078 -5.356 -2.303 295 HB2 TYR 39 HB2 TYR 39 -14.144 -5.200 -0.123 296 HB3 TYR 39 HB3 TYR 39 -13.221 -6.666 -0.419 297 HD1 TYR 39 HD1 TYR 39 -10.614 -6.368 -0.433 298 HD2 TYR 39 HD2 TYR 39 -13.324 -3.625 1.364 299 HE1 TYR 39 HE1 TYR 39 -8.802 -5.531 1.003 300 HE2 TYR 39 HE2 TYR 39 -11.520 -2.775 2.802 301 HH TYR 39 HH TYR 39 -9.366 -3.526 3.703 302 H HIS 40 H HIS 40 -15.569 -4.948 -2.482 303 HA HIS 40 HA HIS 40 -16.102 -7.612 -3.358 304 HB2 HIS 40 HB2 HIS 40 -17.859 -6.401 -2.244 305 HB3 HIS 40 HB3 HIS 40 -17.788 -5.101 -3.430 306 HD1 HIS 40 HD1 HIS 40 -18.953 -8.668 -3.032 307 HD2 HIS 40 HD2 HIS 40 -19.236 -5.528 -5.747 308 HE1 HIS 40 HE1 HIS 40 -20.668 -9.384 -4.728 309 HE2 HIS 40 HE2 HIS 40 -20.685 -7.547 -6.457 310 H ASP 41 H ASP 41 -15.679 -4.509 -4.987 311 HA ASP 41 HA ASP 41 -16.321 -5.681 -7.568 312 HB2 ASP 41 HB2 ASP 41 -16.870 -3.257 -6.671 313 HB3 ASP 41 HB3 ASP 41 -15.244 -2.901 -7.249 314 H ILE 42 H ILE 42 -14.583 -4.350 -9.249 315 HA ILE 42 HA ILE 42 -12.599 -4.657 -10.306 316 HB ILE 42 HB ILE 42 -11.284 -5.026 -7.609 317 HG12 ILE 42 HG12 ILE 42 -12.051 -2.410 -8.935 318 HG13 ILE 42 HG13 ILE 42 -12.801 -3.078 -7.488 319 HG21 ILE 42 HG21 ILE 42 -9.405 -3.863 -8.702 320 HG22 ILE 42 HG22 ILE 42 -10.337 -3.792 -10.198 321 HG23 ILE 42 HG23 ILE 42 -9.843 -5.351 -9.540 322 HD11 ILE 42 HD11 ILE 42 -11.224 -1.332 -6.920 323 HD12 ILE 42 HD12 ILE 42 -9.935 -2.199 -7.754 324 HD13 ILE 42 HD13 ILE 42 -10.669 -2.889 -6.306 325 H LEU 43 H LEU 43 -10.613 -6.317 -10.357 326 HA LEU 43 HA LEU 43 -9.856 -8.440 -10.588 327 HB2 LEU 43 HB2 LEU 43 -11.859 -8.973 -8.406 328 HB3 LEU 43 HB3 LEU 43 -10.908 -10.254 -9.127 329 HG LEU 43 HG LEU 43 -9.812 -9.678 -7.124 330 HD11 LEU 43 HD11 LEU 43 -8.301 -10.007 -8.980 331 HD12 LEU 43 HD12 LEU 43 -7.651 -8.807 -7.864 332 HD13 LEU 43 HD13 LEU 43 -8.385 -8.292 -9.383 333 HD21 LEU 43 HD21 LEU 43 -10.897 -7.551 -6.681 334 HD22 LEU 43 HD22 LEU 43 -9.962 -6.789 -7.967 335 HD23 LEU 43 HD23 LEU 43 -9.146 -7.401 -6.528 336 H GLN 44 H GLN 44 -13.032 -7.568 -11.255 337 HA GLN 44 HA GLN 44 -14.244 -9.887 -12.151 338 HB2 GLN 44 HB2 GLN 44 -15.358 -7.696 -11.918 339 HB3 GLN 44 HB3 GLN 44 -14.482 -7.112 -13.325 340 HG2 GLN 44 HG2 GLN 44 -15.600 -8.788 -14.709 341 HG3 GLN 44 HG3 GLN 44 -16.488 -9.356 -13.294 342 HE21 GLN 44 HE21 GLN 44 -18.052 -8.005 -12.358 343 HE22 GLN 44 HE22 GLN 44 -18.779 -6.714 -13.261 344 H LEU 45 H LEU 45 -12.307 -7.577 -14.057 345 HA LEU 45 HA LEU 45 -12.343 -9.374 -16.318 346 HB2 LEU 45 HB2 LEU 45 -11.244 -7.669 -17.556 347 HB3 LEU 45 HB3 LEU 45 -12.510 -6.918 -16.612 348 HG LEU 45 HG LEU 45 -9.594 -6.870 -15.824 349 HD11 LEU 45 HD11 LEU 45 -9.936 -5.752 -17.971 350 HD12 LEU 45 HD12 LEU 45 -9.567 -4.597 -16.690 351 HD13 LEU 45 HD13 LEU 45 -11.226 -4.781 -17.259 352 HD21 LEU 45 HD21 LEU 45 -11.945 -5.218 -14.903 353 HD22 LEU 45 HD22 LEU 45 -10.272 -5.028 -14.380 354 HD23 LEU 45 HD23 LEU 45 -11.160 -6.498 -13.976 355 H LEU 46 H LEU 46 -10.770 -9.596 -13.579 356 HA LEU 46 HA LEU 46 -8.228 -10.466 -14.753 357 HB2 LEU 46 HB2 LEU 46 -9.136 -9.895 -11.962 358 HB3 LEU 46 HB3 LEU 46 -7.839 -11.048 -12.198 359 HG LEU 46 HG LEU 46 -6.893 -8.898 -11.698 360 HD11 LEU 46 HD11 LEU 46 -5.480 -8.553 -13.659 361 HD12 LEU 46 HD12 LEU 46 -6.582 -9.536 -14.625 362 HD13 LEU 46 HD13 LEU 46 -5.684 -10.266 -13.294 363 HD21 LEU 46 HD21 LEU 46 -8.773 -7.497 -12.379 364 HD22 LEU 46 HD22 LEU 46 -8.417 -7.837 -14.072 365 HD23 LEU 46 HD23 LEU 46 -7.260 -6.939 -13.090 366 H ALA 47 H ALA 47 -10.771 -11.678 -12.576 367 HA ALA 47 HA ALA 47 -9.995 -14.393 -12.723 368 HB1 ALA 47 HB1 ALA 47 -11.380 -13.495 -10.909 369 HB2 ALA 47 HB2 ALA 47 -12.153 -14.870 -11.697 370 HB3 ALA 47 HB3 ALA 47 -12.698 -13.231 -12.050 371 H GLY 48 H GLY 48 -12.282 -12.432 -14.570 372 HA2 GLY 48 HA2 GLY 48 -13.248 -14.594 -16.168 373 HA3 GLY 48 HA3 GLY 48 -13.432 -12.881 -16.518 374 H GLN 49 H GLN 49 -10.314 -12.935 -16.111 375 HA GLN 49 HA GLN 49 -9.744 -13.416 -18.943 376 HB2 GLN 49 HB2 GLN 49 -9.172 -11.225 -17.844 377 HB3 GLN 49 HB3 GLN 49 -8.012 -12.085 -16.845 378 HG2 GLN 49 HG2 GLN 49 -6.790 -12.750 -18.864 379 HG3 GLN 49 HG3 GLN 49 -7.942 -11.844 -19.844 380 HE21 GLN 49 HE21 GLN 49 -8.161 -9.735 -17.793 381 HE22 GLN 49 HE22 GLN 49 -6.712 -8.804 -17.943 382 H GLY 50 H GLY 50 -9.627 -15.049 -16.086 383 HA2 GLY 50 HA2 GLY 50 -8.713 -17.111 -15.593 384 HA3 GLY 50 HA3 GLY 50 -7.872 -17.064 -17.135 385 H LYS 51 H LYS 51 -7.440 -14.316 -15.154 386 HA LYS 51 HA LYS 51 -4.804 -15.333 -14.309 387 HB2 LYS 51 HB2 LYS 51 -5.518 -12.570 -15.284 388 HB3 LYS 51 HB3 LYS 51 -3.976 -13.002 -14.557 389 HG2 LYS 51 HG2 LYS 51 -3.803 -14.764 -16.399 390 HG3 LYS 51 HG3 LYS 51 -5.118 -13.883 -17.181 391 HD2 LYS 51 HD2 LYS 51 -3.003 -13.110 -18.043 392 HD3 LYS 51 HD3 LYS 51 -3.747 -11.831 -17.082 393 HE2 LYS 51 HE2 LYS 51 -1.428 -11.919 -16.528 394 HE3 LYS 51 HE3 LYS 51 -2.335 -12.548 -15.161 395 HZ1 LYS 51 HZ1 LYS 51 -1.765 -14.772 -15.787 396 HZ2 LYS 51 HZ2 LYS 51 -0.332 -13.861 -15.731 397 HZ3 LYS 51 HZ3 LYS 51 -1.035 -14.244 -17.226 398 H SER 52 H SER 52 -3.908 -13.557 -12.622 399 HA SER 52 HA SER 52 -5.985 -12.682 -10.789 400 HB2 SER 52 HB2 SER 52 -3.888 -14.719 -9.978 401 HB3 SER 52 HB3 SER 52 -5.022 -13.926 -8.882 402 HG SER 52 HG SER 52 -6.362 -15.006 -10.942 403 HA PRO 53 HA PRO 53 -3.005 -9.526 -9.711 404 HB2 PRO 53 HB2 PRO 53 -3.081 -9.633 -6.938 405 HB3 PRO 53 HB3 PRO 53 -4.193 -8.706 -7.945 406 HG2 PRO 53 HG2 PRO 53 -4.563 -11.372 -6.666 407 HG3 PRO 53 HG3 PRO 53 -5.735 -10.063 -6.897 408 HD2 PRO 53 HD2 PRO 53 -5.737 -12.263 -8.443 409 HD3 PRO 53 HD3 PRO 53 -6.168 -10.666 -9.085 410 H SER 54 H SER 54 -0.842 -9.461 -9.370 411 HA SER 54 HA SER 54 0.449 -12.013 -8.874 412 HB2 SER 54 HB2 SER 54 1.644 -9.363 -9.716 413 HB3 SER 54 HB3 SER 54 2.448 -10.932 -9.757 414 HG SER 54 HG SER 54 0.666 -11.572 -11.210 415 H GLY 55 H GLY 55 -0.784 -10.335 -6.700 416 HA2 GLY 55 HA2 GLY 55 0.970 -10.937 -4.647 417 HA3 GLY 55 HA3 GLY 55 1.324 -9.279 -5.113 418 HA PRO 56 HA PRO 56 -2.235 -9.290 -2.122 419 HB2 PRO 56 HB2 PRO 56 -1.086 -8.025 -0.070 420 HB3 PRO 56 HB3 PRO 56 -0.824 -9.752 -0.346 421 HG2 PRO 56 HG2 PRO 56 0.956 -7.437 -1.001 422 HG3 PRO 56 HG3 PRO 56 1.380 -9.019 -0.321 423 HD2 PRO 56 HD2 PRO 56 1.643 -8.348 -2.978 424 HD3 PRO 56 HD3 PRO 56 1.473 -10.006 -2.373 425 HA PRO 57 HA PRO 57 -3.517 -5.121 -3.031 426 HB2 PRO 57 HB2 PRO 57 -4.940 -5.093 -0.457 427 HB3 PRO 57 HB3 PRO 57 -5.586 -4.986 -2.096 428 HG2 PRO 57 HG2 PRO 57 -5.918 -7.181 -0.577 429 HG3 PRO 57 HG3 PRO 57 -5.716 -7.275 -2.337 430 HD2 PRO 57 HD2 PRO 57 -3.722 -7.792 -0.165 431 HD3 PRO 57 HD3 PRO 57 -3.985 -8.674 -1.684 432 H PHE 58 H PHE 58 -2.955 -3.027 -2.540 433 HA PHE 58 HA PHE 58 -1.360 -2.681 -0.071 434 HB2 PHE 58 HB2 PHE 58 -1.049 -1.145 -2.661 435 HB3 PHE 58 HB3 PHE 58 -0.018 -1.040 -1.241 436 HD1 PHE 58 HD1 PHE 58 1.046 -3.352 -0.506 437 HD2 PHE 58 HD2 PHE 58 -0.344 -2.429 -4.420 438 HE1 PHE 58 HE1 PHE 58 2.503 -5.102 -1.433 439 HE2 PHE 58 HE2 PHE 58 1.113 -4.177 -5.353 440 HZ PHE 58 HZ PHE 58 2.539 -5.518 -3.859 441 H ALA 59 H ALA 59 -1.194 -0.099 0.318 442 HA ALA 59 HA ALA 59 -3.654 1.275 -0.401 443 HB1 ALA 59 HB1 ALA 59 -4.252 1.829 1.897 444 HB2 ALA 59 HB2 ALA 59 -2.921 0.837 2.491 445 HB3 ALA 59 HB3 ALA 59 -4.272 0.084 1.645 446 H ARG 60 H ARG 60 -2.818 3.062 -1.271 447 HA ARG 60 HA ARG 60 -0.660 4.460 0.154 448 HB2 ARG 60 HB2 ARG 60 -1.681 4.689 -2.677 449 HB3 ARG 60 HB3 ARG 60 -0.651 5.917 -1.960 450 HG2 ARG 60 HG2 ARG 60 0.790 4.551 -3.182 451 HG3 ARG 60 HG3 ARG 60 1.003 4.041 -1.509 452 HD2 ARG 60 HD2 ARG 60 -0.495 2.151 -1.891 453 HD3 ARG 60 HD3 ARG 60 -0.730 2.670 -3.560 454 HE ARG 60 HE ARG 60 2.024 2.224 -2.854 455 HH11 ARG 60 HH11 ARG 60 -0.923 0.778 -4.050 456 HH12 ARG 60 HH12 ARG 60 -0.118 -0.544 -4.823 457 HH21 ARG 60 HH21 ARG 60 3.118 0.481 -3.880 458 HH22 ARG 60 HH22 ARG 60 2.191 -0.711 -4.731 459 H TYR 61 H TYR 61 -0.976 6.411 1.061 460 HA TYR 61 HA TYR 61 -3.625 7.653 0.706 461 HB2 TYR 61 HB2 TYR 61 -1.975 7.582 3.245 462 HB3 TYR 61 HB3 TYR 61 -3.524 8.391 3.049 463 HD1 TYR 61 HD2 TYR 61 -1.850 5.123 3.296 464 HD2 TYR 61 HD1 TYR 61 -5.584 7.157 3.120 465 HE1 TYR 61 HE2 TYR 61 -2.996 3.065 3.993 466 HE2 TYR 61 HE1 TYR 61 -6.741 5.101 3.821 467 HH TYR 61 HH TYR 61 -5.021 2.334 4.983 468 H PHE 62 H PHE 62 -3.287 9.404 -0.515 469 HA PHE 62 HA PHE 62 -0.942 11.080 0.070 470 HB2 PHE 62 HB2 PHE 62 -1.143 10.332 -2.272 471 HB3 PHE 62 HB3 PHE 62 -2.733 11.087 -2.371 472 HD1 PHE 62 HD1 PHE 62 0.860 11.812 -1.825 473 HD2 PHE 62 HD2 PHE 62 -2.953 13.348 -2.921 474 HE1 PHE 62 HE1 PHE 62 1.914 13.931 -2.496 475 HE2 PHE 62 HE2 PHE 62 -1.906 15.466 -3.597 476 HZ PHE 62 HZ PHE 62 0.529 15.763 -3.383 477 H GLY 63 H GLY 63 -1.271 12.822 1.226 478 HA2 GLY 63 HA2 GLY 63 -2.573 14.914 1.486 479 HA3 GLY 63 HA3 GLY 63 -4.015 13.910 1.363 480 H MET 64 H MET 64 -1.450 15.002 3.388 481 HA MET 64 HA MET 64 -2.129 13.094 5.485 482 HB2 MET 64 HB2 MET 64 0.136 15.069 5.214 483 HB3 MET 64 HB3 MET 64 -0.118 14.062 6.634 484 HG2 MET 64 HG2 MET 64 0.134 12.062 5.285 485 HG3 MET 64 HG3 MET 64 0.341 13.049 3.841 486 HE1 MET 64 HE1 MET 64 2.556 11.598 3.392 487 HE2 MET 64 HE2 MET 64 2.353 10.732 4.914 488 HE3 MET 64 HE3 MET 64 3.897 11.493 4.533 489 H SER 65 H SER 65 -3.668 15.651 4.635 490 HA SER 65 HA SER 65 -4.002 16.560 7.408 491 HB2 SER 65 HB2 SER 65 -2.931 18.247 5.772 492 HB3 SER 65 HB3 SER 65 -4.546 18.371 5.071 493 HG SER 65 HG SER 65 -4.104 18.654 7.851 494 H ALA 66 H ALA 66 -6.268 18.085 7.108 495 HA ALA 66 HA ALA 66 -8.216 15.999 6.378 496 HB1 ALA 66 HB1 ALA 66 -9.671 16.881 8.112 497 HB2 ALA 66 HB2 ALA 66 -8.496 18.143 8.480 498 HB3 ALA 66 HB3 ALA 66 -8.099 16.453 8.788 499 H GLY 67 H GLY 67 -9.479 16.440 4.735 500 HA2 GLY 67 HA2 GLY 67 -11.160 18.428 4.213 501 HA3 GLY 67 HA3 GLY 67 -9.643 19.154 3.692 502 H THR 68 H THR 68 -8.334 17.766 2.187 503 HA THR 68 HA THR 68 -9.995 16.012 0.520 504 HB THR 68 HB THR 68 -7.978 17.968 -0.600 505 HG1 THR 68 HG1 THR 68 -9.851 19.107 -1.372 506 HG21 THR 68 HG21 THR 68 -10.048 16.218 -1.925 507 HG22 THR 68 HG22 THR 68 -8.300 15.984 -1.962 508 HG23 THR 68 HG23 THR 68 -9.019 17.386 -2.754 509 H PHE 69 H PHE 69 -9.053 14.079 0.321 510 HA PHE 69 HA PHE 69 -6.216 13.876 -0.094 511 HB2 PHE 69 HB2 PHE 69 -5.856 12.202 1.701 512 HB3 PHE 69 HB3 PHE 69 -6.220 13.807 2.315 513 HD1 PHE 69 HD1 PHE 69 -8.589 14.260 3.136 514 HD2 PHE 69 HD2 PHE 69 -7.084 10.352 2.373 515 HE1 PHE 69 HE1 PHE 69 -10.341 13.307 4.576 516 HE2 PHE 69 HE2 PHE 69 -8.840 9.393 3.802 517 HZ PHE 69 HZ PHE 69 -10.472 10.872 4.908 518 H GLU 70 H GLU 70 -5.645 12.149 -1.275 519 HA GLU 70 HA GLU 70 -7.898 10.565 -2.266 520 HB2 GLU 70 HB2 GLU 70 -6.587 10.278 -4.341 521 HB3 GLU 70 HB3 GLU 70 -6.958 11.956 -3.989 522 HG2 GLU 70 HG2 GLU 70 -4.661 12.195 -3.059 523 HG3 GLU 70 HG3 GLU 70 -4.320 10.560 -3.629 524 H VAL 71 H VAL 71 -7.932 8.495 -2.085 525 HA VAL 71 HA VAL 71 -5.613 7.144 -0.899 526 HB VAL 71 HB VAL 71 -7.291 5.468 -0.098 527 HG11 VAL 71 HG11 VAL 71 -8.172 6.875 1.703 528 HG12 VAL 71 HG12 VAL 71 -7.780 8.318 0.769 529 HG13 VAL 71 HG13 VAL 71 -6.489 7.271 1.358 530 HG21 VAL 71 HG21 VAL 71 -9.659 6.081 -0.090 531 HG22 VAL 71 HG22 VAL 71 -9.047 5.864 -1.730 532 HG23 VAL 71 HG23 VAL 71 -9.292 7.488 -1.089 533 H GLU 72 H GLU 72 -4.735 5.431 -1.888 534 HA GLU 72 HA GLU 72 -6.122 4.269 -4.206 535 HB2 GLU 72 HB2 GLU 72 -4.514 5.899 -5.081 536 HB3 GLU 72 HB3 GLU 72 -3.230 5.157 -4.138 537 HG2 GLU 72 HG2 GLU 72 -3.698 3.031 -5.427 538 HG3 GLU 72 HG3 GLU 72 -4.686 4.021 -6.503 539 H PHE 73 H PHE 73 -6.517 2.283 -3.301 540 HA PHE 73 HA PHE 73 -4.590 0.967 -1.674 541 HB2 PHE 73 HB2 PHE 73 -6.151 -1.074 -2.188 542 HB3 PHE 73 HB3 PHE 73 -6.723 0.237 -1.167 543 HD1 PHE 73 HD2 PHE 73 -8.351 1.859 -2.034 544 HD2 PHE 73 HD1 PHE 73 -7.154 -1.531 -4.312 545 HE1 PHE 73 HE2 PHE 73 -10.313 2.150 -3.492 546 HE2 PHE 73 HE1 PHE 73 -9.110 -1.246 -5.773 547 HZ PHE 73 HZ PHE 73 -10.694 0.597 -5.363 548 H GLY 74 H GLY 74 -5.823 0.088 -4.915 549 HA2 GLY 74 HA2 GLY 74 -4.679 -0.639 -6.768 550 HA3 GLY 74 HA3 GLY 74 -3.190 -0.189 -5.957 551 H PHE 75 H PHE 75 -4.183 -2.566 -7.556 552 HA PHE 75 HA PHE 75 -3.082 -4.607 -5.730 553 HB2 PHE 75 HB2 PHE 75 -4.919 -5.066 -8.100 554 HB3 PHE 75 HB3 PHE 75 -4.298 -6.299 -7.011 555 HD1 PHE 75 HD1 PHE 75 -5.198 -6.538 -4.758 556 HD2 PHE 75 HD2 PHE 75 -6.755 -3.648 -7.469 557 HE1 PHE 75 HE1 PHE 75 -7.205 -6.301 -3.351 558 HE2 PHE 75 HE2 PHE 75 -8.757 -3.399 -6.060 559 HZ PHE 75 HZ PHE 75 -8.986 -4.726 -4.002 560 HA PRO 76 HA PRO 76 0.153 -4.661 -8.772 561 HB2 PRO 76 HB2 PRO 76 1.456 -6.902 -8.023 562 HB3 PRO 76 HB3 PRO 76 1.509 -5.414 -7.072 563 HG2 PRO 76 HG2 PRO 76 -0.071 -7.901 -6.622 564 HG3 PRO 76 HG3 PRO 76 0.692 -6.824 -5.440 565 HD2 PRO 76 HD2 PRO 76 -2.003 -6.827 -6.080 566 HD3 PRO 76 HD3 PRO 76 -1.136 -5.472 -5.333 567 H VAL 77 H VAL 77 0.182 -5.305 -10.847 568 HA VAL 77 HA VAL 77 -1.145 -7.852 -11.476 569 HB VAL 77 HB VAL 77 -1.737 -6.872 -13.699 570 HG11 VAL 77 HG11 VAL 77 -3.646 -5.581 -12.855 571 HG12 VAL 77 HG12 VAL 77 -2.878 -5.498 -11.270 572 HG13 VAL 77 HG13 VAL 77 -3.383 -7.057 -11.923 573 HG21 VAL 77 HG21 VAL 77 -0.921 -4.276 -12.396 574 HG22 VAL 77 HG22 VAL 77 -1.766 -4.433 -13.936 575 HG23 VAL 77 HG23 VAL 77 -0.122 -5.048 -13.766 576 H GLU 78 H GLU 78 -0.396 -8.980 -13.304 577 HA GLU 78 HA GLU 78 2.386 -9.344 -13.244 578 HB2 GLU 78 HB2 GLU 78 0.695 -11.096 -13.668 579 HB3 GLU 78 HB3 GLU 78 0.357 -10.369 -15.229 580 HG2 GLU 78 HG2 GLU 78 2.722 -10.803 -15.865 581 HG3 GLU 78 HG3 GLU 78 2.907 -11.690 -14.349 582 H GLY 79 H GLY 79 0.259 -7.994 -15.739 583 HA2 GLY 79 HA2 GLY 79 1.476 -6.005 -16.860 584 HA3 GLY 79 HA3 GLY 79 2.618 -7.261 -17.322 585 H GLY 80 H GLY 80 0.432 -5.460 -18.664 586 HA2 GLY 80 HA2 GLY 80 -0.597 -5.742 -20.743 587 HA3 GLY 80 HA3 GLY 80 -0.353 -7.478 -20.606 588 H VAL 81 H VAL 81 -1.799 -5.478 -18.129 589 HA VAL 81 HA VAL 81 -4.258 -7.069 -18.407 590 HB VAL 81 HB VAL 81 -3.456 -5.369 -16.048 591 HG11 VAL 81 HG11 VAL 81 -5.438 -7.627 -16.301 592 HG12 VAL 81 HG12 VAL 81 -5.823 -5.913 -16.150 593 HG13 VAL 81 HG13 VAL 81 -5.046 -6.762 -14.815 594 HG21 VAL 81 HG21 VAL 81 -2.669 -7.415 -14.965 595 HG22 VAL 81 HG22 VAL 81 -1.737 -7.063 -16.421 596 HG23 VAL 81 HG23 VAL 81 -2.974 -8.321 -16.446 597 H GLU 82 H GLU 82 -6.294 -6.004 -18.169 598 HA GLU 82 HA GLU 82 -6.266 -3.333 -19.348 599 HB2 GLU 82 HB2 GLU 82 -7.505 -5.134 -20.515 600 HB3 GLU 82 HB3 GLU 82 -8.530 -5.330 -19.103 601 HG2 GLU 82 HG2 GLU 82 -9.626 -4.044 -20.859 602 HG3 GLU 82 HG3 GLU 82 -9.403 -3.090 -19.392 603 H GLY 83 H GLY 83 -7.755 -1.730 -18.566 604 HA2 GLY 83 HA2 GLY 83 -8.387 -2.062 -15.700 605 HA3 GLY 83 HA3 GLY 83 -7.837 -0.543 -16.398 606 H SER 84 H SER 84 -10.496 -2.137 -15.337 607 HA SER 84 HA SER 84 -12.263 -0.332 -16.762 608 HB2 SER 84 HB2 SER 84 -12.199 -2.445 -18.114 609 HB3 SER 84 HB3 SER 84 -12.816 -3.309 -16.706 610 HG SER 84 HG SER 84 -14.557 -2.773 -17.990 611 H GLY 85 H GLY 85 -14.221 0.042 -15.660 612 HA2 GLY 85 HA2 GLY 85 -15.680 -0.024 -13.843 613 HA3 GLY 85 HA3 GLY 85 -14.679 -1.279 -13.120 614 H ARG 86 H ARG 86 -14.077 2.044 -14.212 615 HA ARG 86 HA ARG 86 -13.405 3.931 -13.135 616 HB2 ARG 86 HB2 ARG 86 -14.957 3.078 -11.291 617 HB3 ARG 86 HB3 ARG 86 -13.511 2.463 -10.506 618 HG2 ARG 86 HG2 ARG 86 -12.604 4.766 -10.465 619 HG3 ARG 86 HG3 ARG 86 -14.130 5.340 -11.146 620 HD2 ARG 86 HD2 ARG 86 -15.220 4.117 -9.158 621 HD3 ARG 86 HD3 ARG 86 -13.604 4.125 -8.457 622 HE ARG 86 HE ARG 86 -14.698 6.678 -9.359 623 HH11 ARG 86 HH11 ARG 86 -13.871 4.562 -6.696 624 HH12 ARG 86 HH12 ARG 86 -14.116 5.779 -5.488 625 HH21 ARG 86 HH21 ARG 86 -15.008 8.281 -7.771 626 HH22 ARG 86 HH22 ARG 86 -14.740 7.905 -6.093 627 H VAL 87 H VAL 87 -11.921 0.900 -12.184 628 HA VAL 87 HA VAL 87 -9.437 2.130 -11.367 629 HB VAL 87 HB VAL 87 -9.987 -0.802 -11.848 630 HG11 VAL 87 HG11 VAL 87 -7.636 -0.220 -11.620 631 HG12 VAL 87 HG12 VAL 87 -8.197 -1.159 -10.237 632 HG13 VAL 87 HG13 VAL 87 -7.975 0.584 -10.088 633 HG21 VAL 87 HG21 VAL 87 -10.520 -0.957 -9.454 634 HG22 VAL 87 HG22 VAL 87 -11.671 0.052 -10.329 635 HG23 VAL 87 HG23 VAL 87 -10.425 0.799 -9.331 636 H VAL 88 H VAL 88 -7.507 2.137 -12.505 637 HA VAL 88 HA VAL 88 -7.628 1.162 -15.282 638 HB VAL 88 HB VAL 88 -6.257 3.118 -15.966 639 HG11 VAL 88 HG11 VAL 88 -8.652 3.125 -16.351 640 HG12 VAL 88 HG12 VAL 88 -8.089 4.747 -15.954 641 HG13 VAL 88 HG13 VAL 88 -8.930 3.786 -14.740 642 HG21 VAL 88 HG21 VAL 88 -6.897 4.146 -13.202 643 HG22 VAL 88 HG22 VAL 88 -6.139 5.074 -14.497 644 HG23 VAL 88 HG23 VAL 88 -5.302 3.687 -13.799 645 H THR 89 H THR 89 -5.540 0.707 -16.241 646 HA THR 89 HA THR 89 -3.723 -0.457 -14.309 647 HB THR 89 HB THR 89 -3.045 -0.574 -17.186 648 HG1 THR 89 HG1 THR 89 -4.769 -2.296 -17.329 649 HG21 THR 89 HG21 THR 89 -2.736 -2.953 -16.630 650 HG22 THR 89 HG22 THR 89 -3.365 -2.646 -15.011 651 HG23 THR 89 HG23 THR 89 -1.853 -1.899 -15.527 652 H GLY 90 H GLY 90 -1.482 0.010 -14.193 653 HA2 GLY 90 HA2 GLY 90 0.047 1.589 -15.809 654 HA3 GLY 90 HA3 GLY 90 -0.780 2.739 -14.767 655 H LEU 91 H LEU 91 0.982 3.432 -13.634 656 HA LEU 91 HA LEU 91 2.251 1.424 -11.896 657 HB2 LEU 91 HB2 LEU 91 3.430 3.904 -13.137 658 HB3 LEU 91 HB3 LEU 91 4.148 3.137 -11.736 659 HG LEU 91 HG LEU 91 4.288 1.016 -13.159 660 HD11 LEU 91 HD11 LEU 91 2.750 1.710 -14.925 661 HD12 LEU 91 HD12 LEU 91 4.347 1.333 -15.571 662 HD13 LEU 91 HD13 LEU 91 3.848 3.014 -15.374 663 HD21 LEU 91 HD21 LEU 91 6.371 1.739 -14.201 664 HD22 LEU 91 HD22 LEU 91 6.222 2.375 -12.562 665 HD23 LEU 91 HD23 LEU 91 5.919 3.424 -13.946 666 H THR 92 H THR 92 2.382 1.879 -9.743 667 HA THR 92 HA THR 92 0.545 3.861 -8.743 668 HB THR 92 HB THR 92 0.576 1.675 -7.682 669 HG1 THR 92 HG1 THR 92 0.115 3.363 -6.249 670 HG21 THR 92 HG21 THR 92 2.870 1.033 -8.145 671 HG22 THR 92 HG22 THR 92 2.535 0.884 -6.420 672 HG23 THR 92 HG23 THR 92 3.461 2.258 -7.024 673 HA PRO 93 HA PRO 93 3.241 7.280 -8.124 674 HB2 PRO 93 HB2 PRO 93 2.444 8.000 -5.549 675 HB3 PRO 93 HB3 PRO 93 1.681 8.522 -7.053 676 HG2 PRO 93 HG2 PRO 93 0.914 6.306 -5.203 677 HG3 PRO 93 HG3 PRO 93 -0.125 7.445 -6.083 678 HD2 PRO 93 HD2 PRO 93 0.167 4.941 -6.933 679 HD3 PRO 93 HD3 PRO 93 0.112 6.286 -8.095 680 H SER 94 H SER 94 5.108 7.934 -7.120 681 HA SER 94 HA SER 94 6.259 6.017 -5.211 682 HB2 SER 94 HB2 SER 94 7.671 7.731 -7.270 683 HB3 SER 94 HB3 SER 94 8.453 6.604 -6.161 684 HG SER 94 HG SER 94 7.274 4.922 -7.156 685 H GLY 95 H GLY 95 6.973 6.764 -3.308 686 HA2 GLY 95 HA2 GLY 95 7.771 9.506 -2.937 687 HA3 GLY 95 HA3 GLY 95 6.251 9.099 -2.149 688 H LYS 96 H LYS 96 8.287 9.920 -0.571 689 HA LYS 96 HA LYS 96 9.413 7.438 0.541 690 HB2 LYS 96 HB2 LYS 96 10.274 10.304 0.944 691 HB3 LYS 96 HB3 LYS 96 10.977 8.926 1.779 692 HG2 LYS 96 HG2 LYS 96 11.485 8.015 -0.562 693 HG3 LYS 96 HG3 LYS 96 11.158 9.660 -1.117 694 HD2 LYS 96 HD2 LYS 96 12.848 10.486 0.492 695 HD3 LYS 96 HD3 LYS 96 13.222 8.816 0.915 696 HE2 LYS 96 HE2 LYS 96 13.795 8.408 -1.472 697 HE3 LYS 96 HE3 LYS 96 13.565 10.130 -1.778 698 HZ1 LYS 96 HZ1 LYS 96 15.285 10.486 0.031 699 HZ2 LYS 96 HZ2 LYS 96 15.847 9.861 -1.437 700 HZ3 LYS 96 HZ3 LYS 96 15.638 8.831 -0.108 701 H ALA 97 H ALA 97 9.212 6.955 2.705 702 HA ALA 97 HA ALA 97 7.795 8.698 4.530 703 HB1 ALA 97 HB1 ALA 97 5.908 7.180 4.908 704 HB2 ALA 97 HB2 ALA 97 6.460 6.159 3.580 705 HB3 ALA 97 HB3 ALA 97 5.913 7.807 3.260 706 H ALA 98 H ALA 98 7.686 7.768 6.687 707 HA ALA 98 HA ALA 98 9.950 6.107 7.276 708 HB1 ALA 98 HB1 ALA 98 7.761 7.122 9.097 709 HB2 ALA 98 HB2 ALA 98 9.300 7.926 8.782 710 HB3 ALA 98 HB3 ALA 98 9.271 6.372 9.614 711 H SER 99 H SER 99 9.960 3.957 7.347 712 HA SER 99 HA SER 99 7.349 2.598 7.415 713 HB2 SER 99 HB2 SER 99 9.699 1.736 5.735 714 HB3 SER 99 HB3 SER 99 8.036 1.155 5.650 715 HG SER 99 HG SER 99 8.642 3.880 5.223 716 H SER 100 H SER 100 7.163 0.941 8.732 717 HA SER 100 HA SER 100 9.556 -0.510 9.592 718 HB2 SER 100 HB2 SER 100 8.828 1.139 11.387 719 HB3 SER 100 HB3 SER 100 7.321 0.237 11.501 720 HG SER 100 HG SER 100 8.319 -1.329 12.516 721 H LEU 101 H LEU 101 9.144 -2.723 9.999 722 HA LEU 101 HA LEU 101 6.575 -3.610 8.897 723 HB2 LEU 101 HB2 LEU 101 7.697 -5.729 8.380 724 HB3 LEU 101 HB3 LEU 101 8.454 -4.364 7.594 725 HG LEU 101 HG LEU 101 10.065 -4.492 9.705 726 HD11 LEU 101 HD11 LEU 101 8.870 -6.307 10.806 727 HD12 LEU 101 HD12 LEU 101 10.493 -6.815 10.340 728 HD13 LEU 101 HD13 LEU 101 9.101 -7.333 9.389 729 HD21 LEU 101 HD21 LEU 101 10.744 -4.643 7.376 730 HD22 LEU 101 HD22 LEU 101 10.223 -6.328 7.323 731 HD23 LEU 101 HD23 LEU 101 11.573 -5.854 8.354 732 H TYR 102 H TYR 102 5.264 -4.951 10.008 733 HA TYR 102 HA TYR 102 6.212 -5.872 12.641 734 HB2 TYR 102 HB2 TYR 102 4.295 -4.282 12.730 735 HB3 TYR 102 HB3 TYR 102 3.348 -5.409 11.763 736 HD1 TYR 102 HD1 TYR 102 5.103 -5.029 15.007 737 HD2 TYR 102 HD2 TYR 102 2.205 -7.206 12.782 738 HE1 TYR 102 HE1 TYR 102 4.406 -6.185 17.060 739 HE2 TYR 102 HE2 TYR 102 1.500 -8.369 14.831 740 HH TYR 102 HH TYR 102 2.462 -7.349 17.942 741 H ILE 103 H ILE 103 6.357 -8.012 12.925 742 HA ILE 103 HA ILE 103 5.320 -9.687 10.766 743 HB ILE 103 HB ILE 103 6.900 -11.429 11.792 744 HG12 ILE 103 HG12 ILE 103 7.963 -8.895 13.052 745 HG13 ILE 103 HG13 ILE 103 7.453 -10.364 13.879 746 HG21 ILE 103 HG21 ILE 103 8.782 -10.541 10.481 747 HG22 ILE 103 HG22 ILE 103 7.968 -8.981 10.397 748 HG23 ILE 103 HG23 ILE 103 7.244 -10.394 9.632 749 HD11 ILE 103 HD11 ILE 103 9.823 -10.098 12.047 750 HD12 ILE 103 HD12 ILE 103 9.316 -11.573 12.869 751 HD13 ILE 103 HD13 ILE 103 9.874 -10.186 13.807 752 H GLY 104 H GLY 104 3.594 -10.805 11.095 753 HA2 GLY 104 HA2 GLY 104 2.746 -12.657 12.659 754 HA3 GLY 104 HA3 GLY 104 2.740 -11.362 13.854 755 HA PRO 105 HA PRO 105 -1.421 -11.133 11.890 756 HB2 PRO 105 HB2 PRO 105 -2.799 -10.801 14.192 757 HB3 PRO 105 HB3 PRO 105 -2.354 -12.398 13.577 758 HG2 PRO 105 HG2 PRO 105 -1.072 -10.767 15.728 759 HG3 PRO 105 HG3 PRO 105 -1.372 -12.513 15.674 760 HD2 PRO 105 HD2 PRO 105 1.055 -11.362 15.138 761 HD3 PRO 105 HD3 PRO 105 0.532 -12.924 14.478 762 H TYR 106 H TYR 106 -2.975 -9.283 12.015 763 HA TYR 106 HA TYR 106 -1.472 -6.818 12.468 764 HB2 TYR 106 HB2 TYR 106 -2.478 -7.121 10.251 765 HB3 TYR 106 HB3 TYR 106 -4.068 -7.296 10.986 766 HD1 TYR 106 HD2 TYR 106 -1.247 -4.879 10.683 767 HD2 TYR 106 HD1 TYR 106 -5.428 -5.418 11.260 768 HE1 TYR 106 HE2 TYR 106 -1.574 -2.447 10.546 769 HE2 TYR 106 HE1 TYR 106 -5.765 -2.984 11.128 770 HH TYR 106 HH TYR 106 -4.553 -0.937 11.392 771 H GLY 107 H GLY 107 -2.002 -5.350 13.972 772 HA2 GLY 107 HA2 GLY 107 -4.558 -4.932 15.056 773 HA3 GLY 107 HA3 GLY 107 -3.665 -5.997 16.132 774 H GLU 108 H GLU 108 -1.499 -5.220 16.826 775 HA GLU 108 HA GLU 108 -1.762 -2.499 17.734 776 HB2 GLU 108 HB2 GLU 108 0.371 -3.019 18.971 777 HB3 GLU 108 HB3 GLU 108 -0.997 -4.057 19.348 778 HG2 GLU 108 HG2 GLU 108 -0.098 -5.802 17.925 779 HG3 GLU 108 HG3 GLU 108 1.248 -4.759 17.468 780 H ILE 109 H ILE 109 -1.626 -1.835 15.332 781 HA ILE 109 HA ILE 109 1.026 -1.711 14.230 782 HB ILE 109 HB ILE 109 -0.938 -1.783 12.759 783 HG12 ILE 109 HG12 ILE 109 0.601 0.802 12.442 784 HG13 ILE 109 HG13 ILE 109 1.223 -0.788 12.014 785 HG21 ILE 109 HG21 ILE 109 -2.336 0.210 12.456 786 HG22 ILE 109 HG22 ILE 109 -1.511 0.985 13.808 787 HG23 ILE 109 HG23 ILE 109 -2.486 -0.460 14.081 788 HD11 ILE 109 HD11 ILE 109 -1.175 0.552 10.792 789 HD12 ILE 109 HD12 ILE 109 -0.553 -1.042 10.366 790 HD13 ILE 109 HD13 ILE 109 0.422 0.396 10.059 791 H GLU 110 H GLU 110 -0.895 0.275 16.350 792 HA GLU 110 HA GLU 110 0.591 2.672 15.991 793 HB2 GLU 110 HB2 GLU 110 -1.654 2.584 17.072 794 HB3 GLU 110 HB3 GLU 110 -0.916 1.802 18.464 795 HG2 GLU 110 HG2 GLU 110 0.430 3.755 18.901 796 HG3 GLU 110 HG3 GLU 110 -0.176 4.537 17.442 797 H ALA 111 H ALA 111 1.125 -0.246 17.817 798 HA ALA 111 HA ALA 111 3.279 0.664 19.413 799 HB1 ALA 111 HB1 ALA 111 2.793 -2.094 18.279 800 HB2 ALA 111 HB2 ALA 111 2.171 -1.483 19.812 801 HB3 ALA 111 HB3 ALA 111 3.908 -1.695 19.587 802 H VAL 112 H VAL 112 2.994 -0.429 16.109 803 HA VAL 112 HA VAL 112 5.771 -0.358 15.463 804 HB VAL 112 HB VAL 112 3.343 -0.085 13.666 805 HG11 VAL 112 HG11 VAL 112 6.200 -0.724 12.949 806 HG12 VAL 112 HG12 VAL 112 5.351 0.780 12.593 807 HG13 VAL 112 HG13 VAL 112 4.828 -0.728 11.841 808 HG21 VAL 112 HG21 VAL 112 3.346 -2.192 14.863 809 HG22 VAL 112 HG22 VAL 112 5.011 -2.496 14.368 810 HG23 VAL 112 HG23 VAL 112 3.725 -2.458 13.162 811 H TYR 113 H TYR 113 3.098 1.919 15.326 812 HA TYR 113 HA TYR 113 4.368 4.020 13.973 813 HB2 TYR 113 HB2 TYR 113 1.863 3.669 14.769 814 HB3 TYR 113 HB3 TYR 113 2.407 4.592 16.164 815 HD1 TYR 113 HD2 TYR 113 4.232 6.555 14.896 816 HD2 TYR 113 HD1 TYR 113 0.439 5.107 13.625 817 HE1 TYR 113 HE2 TYR 113 3.868 8.629 13.637 818 HE2 TYR 113 HE1 TYR 113 0.067 7.178 12.354 819 HH TYR 113 HH TYR 113 2.517 9.359 11.641 820 H ASP 114 H ASP 114 4.230 3.201 17.425 821 HA ASP 114 HA ASP 114 5.566 5.462 18.408 822 HB2 ASP 114 HB2 ASP 114 4.415 3.925 19.899 823 HB3 ASP 114 HB3 ASP 114 5.552 2.641 19.494 824 H ALA 115 H ALA 115 6.814 2.426 17.127 825 HA ALA 115 HA ALA 115 9.531 2.843 17.749 826 HB1 ALA 115 HB1 ALA 115 8.317 1.301 15.458 827 HB2 ALA 115 HB2 ALA 115 8.661 0.670 17.070 828 HB3 ALA 115 HB3 ALA 115 9.985 1.172 16.017 829 H LEU 116 H LEU 116 7.622 3.621 14.861 830 HA LEU 116 HA LEU 116 9.724 4.893 13.451 831 HB2 LEU 116 HB2 LEU 116 6.729 5.185 13.249 832 HB3 LEU 116 HB3 LEU 116 7.860 5.932 12.134 833 HG LEU 116 HG LEU 116 7.577 2.960 12.574 834 HD11 LEU 116 HD11 LEU 116 6.609 4.702 10.312 835 HD12 LEU 116 HD12 LEU 116 5.601 3.868 11.494 836 HD13 LEU 116 HD13 LEU 116 6.564 2.941 10.344 837 HD21 LEU 116 HD21 LEU 116 9.823 3.640 11.904 838 HD22 LEU 116 HD22 LEU 116 9.151 4.525 10.534 839 HD23 LEU 116 HD23 LEU 116 9.003 2.768 10.608 840 H MET 117 H MET 117 7.345 6.010 15.767 841 HA MET 117 HA MET 117 7.827 8.775 15.498 842 HB2 MET 117 HB2 MET 117 5.838 7.781 16.609 843 HB3 MET 117 HB3 MET 117 6.868 7.284 17.944 844 HG2 MET 117 HG2 MET 117 7.291 9.531 18.570 845 HG3 MET 117 HG3 MET 117 6.553 10.146 17.092 846 HE1 MET 117 HE1 MET 117 4.147 8.089 20.461 847 HE2 MET 117 HE2 MET 117 5.887 8.369 20.554 848 HE3 MET 117 HE3 MET 117 5.238 7.224 19.381 849 H LYS 118 H LYS 118 9.459 6.249 17.268 850 HA LYS 118 HA LYS 118 11.161 7.979 18.761 851 HB2 LYS 118 HB2 LYS 118 10.942 5.700 19.492 852 HB3 LYS 118 HB3 LYS 118 11.442 5.090 17.921 853 HG2 LYS 118 HG2 LYS 118 13.675 6.097 18.295 854 HG3 LYS 118 HG3 LYS 118 13.155 6.553 19.917 855 HD2 LYS 118 HD2 LYS 118 12.905 4.274 20.562 856 HD3 LYS 118 HD3 LYS 118 13.113 3.719 18.898 857 HE2 LYS 118 HE2 LYS 118 15.136 3.367 20.243 858 HE3 LYS 118 HE3 LYS 118 15.418 4.480 18.905 859 HZ1 LYS 118 HZ1 LYS 118 15.295 6.328 20.417 860 HZ2 LYS 118 HZ2 LYS 118 16.432 5.217 21.004 861 HZ3 LYS 118 HZ3 LYS 118 14.893 5.306 21.712 862 H TRP 119 H TRP 119 11.444 6.300 15.649 863 HA TRP 119 HA TRP 119 14.127 7.056 15.166 864 HB2 TRP 119 HB2 TRP 119 12.851 5.157 14.068 865 HB3 TRP 119 HB3 TRP 119 12.079 6.371 13.056 866 HD1 TRP 119 HD1 TRP 119 15.622 5.028 13.828 867 HE1 TRP 119 HE1 TRP 119 17.070 5.325 11.720 868 HE3 TRP 119 HE3 TRP 119 12.258 7.513 10.886 869 HZ2 TRP 119 HZ2 TRP 119 16.812 6.461 9.151 870 HZ3 TRP 119 HZ3 TRP 119 12.938 8.168 8.615 871 HH2 TRP 119 HH2 TRP 119 15.168 7.651 7.767 872 H VAL 120 H VAL 120 11.026 8.497 14.216 873 HA VAL 120 HA VAL 120 12.147 10.554 12.603 874 HB VAL 120 HB VAL 120 9.761 9.873 12.529 875 HG11 VAL 120 HG11 VAL 120 8.174 10.872 14.116 876 HG12 VAL 120 HG12 VAL 120 9.536 11.398 15.108 877 HG13 VAL 120 HG13 VAL 120 9.233 9.676 14.865 878 HG21 VAL 120 HG21 VAL 120 10.453 11.901 11.466 879 HG22 VAL 120 HG22 VAL 120 10.333 12.784 12.987 880 HG23 VAL 120 HG23 VAL 120 8.878 12.154 12.215 881 H ASP 121 H ASP 121 11.266 10.387 16.020 882 HA ASP 121 HA ASP 121 11.903 13.053 16.682 883 HB2 ASP 121 HB2 ASP 121 10.613 11.729 18.223 884 HB3 ASP 121 HB3 ASP 121 11.896 10.532 18.349 885 H ASP 122 H ASP 122 13.818 10.132 16.491 886 HA ASP 122 HA ASP 122 16.140 11.044 17.779 887 HB2 ASP 122 HB2 ASP 122 15.592 8.669 17.282 888 HB3 ASP 122 HB3 ASP 122 15.920 8.979 15.581 889 H ASN 123 H ASN 123 15.115 11.238 14.409 890 HA ASN 123 HA ASN 123 17.606 12.639 13.713 891 HB2 ASN 123 HB2 ASN 123 15.409 11.472 11.987 892 HB3 ASN 123 HB3 ASN 123 16.779 12.373 11.352 893 HD21 ASN 123 HD21 ASN 123 15.734 9.420 12.864 894 HD22 ASN 123 HD22 ASN 123 17.179 8.519 12.556 895 H GLY 124 H GLY 124 14.709 13.351 14.902 896 HA2 GLY 124 HA2 GLY 124 13.676 15.378 15.262 897 HA3 GLY 124 HA3 GLY 124 14.775 16.118 14.111 898 H PHE 125 H PHE 125 13.975 13.978 12.103 899 HA PHE 125 HA PHE 125 11.247 13.657 11.915 900 HB2 PHE 125 HB2 PHE 125 10.695 15.008 9.942 901 HB3 PHE 125 HB3 PHE 125 11.039 15.966 11.359 902 HD1 PHE 125 HD1 PHE 125 13.085 17.341 11.457 903 HD2 PHE 125 HD2 PHE 125 12.083 15.066 8.006 904 HE1 PHE 125 HE1 PHE 125 14.725 18.617 10.140 905 HE2 PHE 125 HE2 PHE 125 13.721 16.336 6.687 906 HZ PHE 125 HZ PHE 125 15.044 18.112 7.752 907 H ASP 126 H ASP 126 10.592 13.031 9.642 908 HA ASP 126 HA ASP 126 12.788 12.060 7.993 909 HB2 ASP 126 HB2 ASP 126 11.918 10.138 9.347 910 HB3 ASP 126 HB3 ASP 126 10.322 10.420 8.658 911 H LEU 127 H LEU 127 11.479 11.216 5.822 912 HA LEU 127 HA LEU 127 10.301 13.690 4.895 913 HB2 LEU 127 HB2 LEU 127 10.891 11.112 3.453 914 HB3 LEU 127 HB3 LEU 127 10.154 12.501 2.687 915 HG LEU 127 HG LEU 127 12.251 13.794 3.452 916 HD11 LEU 127 HD11 LEU 127 13.311 10.978 3.606 917 HD12 LEU 127 HD12 LEU 127 13.111 12.079 4.969 918 HD13 LEU 127 HD13 LEU 127 14.265 12.459 3.692 919 HD21 LEU 127 HD21 LEU 127 11.723 13.274 1.132 920 HD22 LEU 127 HD22 LEU 127 12.444 11.676 1.318 921 HD23 LEU 127 HD23 LEU 127 13.454 13.117 1.439 922 H SER 128 H SER 128 8.215 14.153 4.753 923 HA SER 128 HA SER 128 6.295 11.992 5.165 924 HB2 SER 128 HB2 SER 128 4.676 13.965 5.477 925 HB3 SER 128 HB3 SER 128 5.901 13.717 6.721 926 HG SER 128 HG SER 128 7.061 15.424 5.932 927 H GLY 129 H GLY 129 6.684 11.232 2.969 928 HA2 GLY 129 HA2 GLY 129 5.627 12.851 0.811 929 HA3 GLY 129 HA3 GLY 129 6.203 11.194 0.690 930 H GLU 130 H GLU 130 4.795 9.493 1.483 931 HA GLU 130 HA GLU 130 1.960 10.180 1.643 932 HB2 GLU 130 HB2 GLU 130 3.152 8.289 -0.401 933 HB3 GLU 130 HB3 GLU 130 1.432 8.416 -0.054 934 HG2 GLU 130 HG2 GLU 130 1.320 10.612 -0.903 935 HG3 GLU 130 HG3 GLU 130 3.075 10.766 -0.943 936 H ALA 131 H ALA 131 0.647 8.429 2.470 937 HA ALA 131 HA ALA 131 2.148 6.672 4.271 938 HB1 ALA 131 HB1 ALA 131 -0.832 7.113 4.001 939 HB2 ALA 131 HB2 ALA 131 0.229 7.909 5.163 940 HB3 ALA 131 HB3 ALA 131 -0.033 6.167 5.256 941 H TYR 132 H TYR 132 1.925 4.402 4.251 942 HA TYR 132 HA TYR 132 0.702 3.200 1.883 943 HB2 TYR 132 HB2 TYR 132 2.880 3.635 1.054 944 HB3 TYR 132 HB3 TYR 132 3.638 3.128 2.557 945 HD1 TYR 132 HD2 TYR 132 2.014 1.956 -0.537 946 HD2 TYR 132 HD1 TYR 132 4.099 0.817 2.993 947 HE1 TYR 132 HE2 TYR 132 2.364 -0.292 -1.471 948 HE2 TYR 132 HE1 TYR 132 4.459 -1.427 2.066 949 HH TYR 132 HH TYR 132 3.187 -2.903 0.264 950 H GLU 133 H GLU 133 -0.468 1.561 2.552 951 HA GLU 133 HA GLU 133 0.601 -0.138 4.707 952 HB2 GLU 133 HB2 GLU 133 -2.262 0.221 3.797 953 HB3 GLU 133 HB3 GLU 133 -1.735 -0.962 4.984 954 HG2 GLU 133 HG2 GLU 133 -0.888 0.936 6.373 955 HG3 GLU 133 HG3 GLU 133 -1.663 2.033 5.230 956 H ILE 134 H ILE 134 0.135 -2.447 4.477 957 HA ILE 134 HA ILE 134 -0.453 -3.382 1.777 958 HB ILE 134 HB ILE 134 1.992 -3.283 1.799 959 HG12 ILE 134 HG12 ILE 134 0.964 -6.117 2.066 960 HG13 ILE 134 HG13 ILE 134 0.923 -5.140 0.602 961 HG21 ILE 134 HG21 ILE 134 2.399 -3.360 4.178 962 HG22 ILE 134 HG22 ILE 134 3.308 -4.637 3.368 963 HG23 ILE 134 HG23 ILE 134 1.828 -5.027 4.244 964 HD11 ILE 134 HD11 ILE 134 3.357 -5.113 0.546 965 HD12 ILE 134 HD12 ILE 134 2.733 -6.763 0.547 966 HD13 ILE 134 HD13 ILE 134 3.406 -6.072 2.025 967 H TYR 135 H TYR 135 -1.777 -5.133 1.850 968 HA TYR 135 HA TYR 135 -1.846 -6.583 4.403 969 HB2 TYR 135 HB2 TYR 135 -4.182 -5.759 2.689 970 HB3 TYR 135 HB3 TYR 135 -4.299 -7.001 3.934 971 HD1 TYR 135 HD1 TYR 135 -2.941 -6.077 6.202 972 HD2 TYR 135 HD2 TYR 135 -5.120 -3.760 3.377 973 HE1 TYR 135 HE1 TYR 135 -3.299 -4.347 7.912 974 HE2 TYR 135 HE2 TYR 135 -5.483 -2.025 5.078 975 HH TYR 135 HH TYR 135 -3.804 -1.648 7.738 976 H LEU 136 H LEU 136 -0.443 -8.093 3.665 977 HA LEU 136 HA LEU 136 -1.041 -9.683 1.348 978 HB2 LEU 136 HB2 LEU 136 0.870 -11.033 1.995 979 HB3 LEU 136 HB3 LEU 136 1.282 -9.334 2.019 980 HG LEU 136 HG LEU 136 0.586 -10.859 4.528 981 HD11 LEU 136 HD11 LEU 136 3.312 -10.368 3.332 982 HD12 LEU 136 HD12 LEU 136 2.493 -11.928 3.418 983 HD13 LEU 136 HD13 LEU 136 2.978 -11.103 4.901 984 HD21 LEU 136 HD21 LEU 136 2.099 -8.289 4.051 985 HD22 LEU 136 HD22 LEU 136 1.821 -9.048 5.618 986 HD23 LEU 136 HD23 LEU 136 0.459 -8.419 4.688 987 H ASP 137 H ASP 137 -0.748 -12.266 2.032 988 HA ASP 137 HA ASP 137 -3.288 -12.806 3.234 989 HB2 ASP 137 HB2 ASP 137 -1.983 -14.122 1.358 990 HB3 ASP 137 HB3 ASP 137 -1.299 -14.982 2.739 991 H ASN 138 H ASN 138 -3.341 -14.712 4.901 992 HA ASN 138 HA ASN 138 -2.214 -13.539 7.263 993 HB2 ASN 138 HB2 ASN 138 -3.925 -15.999 6.841 994 HB3 ASN 138 HB3 ASN 138 -3.454 -15.386 8.423 995 HD21 ASN 138 HD21 ASN 138 -6.089 -15.689 7.148 996 HD22 ASN 138 HD22 ASN 138 -6.819 -14.126 7.218 997 HA PRO 139 HA PRO 139 1.445 -15.877 7.995 998 HB2 PRO 139 HB2 PRO 139 0.886 -16.841 10.565 999 HB3 PRO 139 HB3 PRO 139 1.671 -15.310 10.175 1000 HG2 PRO 139 HG2 PRO 139 -1.172 -15.859 10.868 1001 HG3 PRO 139 HG3 PRO 139 -0.162 -14.457 11.272 1002 HD2 PRO 139 HD2 PRO 139 -2.031 -14.325 9.356 1003 HD3 PRO 139 HD3 PRO 139 -0.478 -13.477 9.189 1004 H ALA 140 H ALA 140 2.255 -17.967 8.108 1005 HA ALA 140 HA ALA 140 2.328 -20.231 7.956 1006 HB1 ALA 140 HB1 ALA 140 0.493 -21.648 8.656 1007 HB2 ALA 140 HB2 ALA 140 -0.588 -20.255 8.714 1008 HB3 ALA 140 HB3 ALA 140 0.766 -20.366 9.838 1009 H GLU 141 H GLU 141 0.368 -18.248 6.083 1010 HA GLU 141 HA GLU 141 -0.294 -20.235 4.105 1011 HB2 GLU 141 HB2 GLU 141 -1.478 -17.970 4.477 1012 HB3 GLU 141 HB3 GLU 141 -0.114 -17.257 3.634 1013 HG2 GLU 141 HG2 GLU 141 -1.933 -19.361 2.487 1014 HG3 GLU 141 HG3 GLU 141 -2.082 -17.630 2.198 1015 H THR 142 H THR 142 1.701 -17.324 3.751 1016 HA THR 142 HA THR 142 3.474 -18.681 1.937 1017 HB THR 142 HB THR 142 3.016 -16.394 1.419 1018 HG1 THR 142 HG1 THR 142 5.279 -17.194 1.252 1019 HG21 THR 142 HG21 THR 142 3.544 -14.532 2.914 1020 HG22 THR 142 HG22 THR 142 4.059 -15.670 4.159 1021 HG23 THR 142 HG23 THR 142 2.370 -15.622 3.652 1022 H ALA 143 H ALA 143 3.609 -17.390 5.212 1023 HA ALA 143 HA ALA 143 5.388 -19.413 6.089 1024 HB1 ALA 143 HB1 ALA 143 7.331 -18.047 6.630 1025 HB2 ALA 143 HB2 ALA 143 6.572 -16.641 5.884 1026 HB3 ALA 143 HB3 ALA 143 7.032 -18.025 4.892 1027 HA PRO 144 HA PRO 144 3.692 -17.728 9.894 1028 HB2 PRO 144 HB2 PRO 144 4.666 -19.541 11.595 1029 HB3 PRO 144 HB3 PRO 144 3.400 -19.968 10.438 1030 HG2 PRO 144 HG2 PRO 144 6.328 -20.534 10.339 1031 HG3 PRO 144 HG3 PRO 144 4.968 -21.561 9.851 1032 HD2 PRO 144 HD2 PRO 144 6.526 -20.035 8.124 1033 HD3 PRO 144 HD3 PRO 144 4.910 -20.664 7.770 1034 H ASP 145 H ASP 145 4.403 -16.391 11.449 1035 HA ASP 145 HA ASP 145 5.735 -15.097 12.753 1036 HB2 ASP 145 HB2 ASP 145 6.885 -17.174 13.425 1037 HB3 ASP 145 HB3 ASP 145 7.974 -17.007 12.051 1038 H GLN 146 H GLN 146 7.039 -16.026 9.648 1039 HA GLN 146 HA GLN 146 8.575 -13.581 9.361 1040 HB2 GLN 146 HB2 GLN 146 9.285 -15.858 8.481 1041 HB3 GLN 146 HB3 GLN 146 8.022 -15.698 7.271 1042 HG2 GLN 146 HG2 GLN 146 9.117 -13.631 6.464 1043 HG3 GLN 146 HG3 GLN 146 10.422 -13.911 7.613 1044 HE21 GLN 146 HE21 GLN 146 8.910 -14.965 4.676 1045 HE22 GLN 146 HE22 GLN 146 10.189 -15.999 4.145 1046 H LEU 147 H LEU 147 5.629 -13.490 9.666 1047 HA LEU 147 HA LEU 147 4.603 -12.709 7.074 1048 HB2 LEU 147 HB2 LEU 147 3.349 -13.814 9.108 1049 HB3 LEU 147 HB3 LEU 147 3.201 -12.163 9.669 1050 HG LEU 147 HG LEU 147 1.197 -13.001 8.467 1051 HD11 LEU 147 HD11 LEU 147 2.608 -10.704 7.123 1052 HD12 LEU 147 HD12 LEU 147 1.618 -10.613 8.579 1053 HD13 LEU 147 HD13 LEU 147 0.880 -11.049 7.039 1054 HD21 LEU 147 HD21 LEU 147 2.282 -14.433 6.850 1055 HD22 LEU 147 HD22 LEU 147 3.052 -13.038 6.093 1056 HD23 LEU 147 HD23 LEU 147 1.299 -13.221 6.026 1057 H ARG 148 H ARG 148 6.003 -11.006 6.534 1058 HA ARG 148 HA ARG 148 6.385 -8.797 8.353 1059 HB2 ARG 148 HB2 ARG 148 7.327 -9.273 5.528 1060 HB3 ARG 148 HB3 ARG 148 7.747 -7.858 6.476 1061 HG2 ARG 148 HG2 ARG 148 8.992 -9.167 8.017 1062 HG3 ARG 148 HG3 ARG 148 8.395 -10.670 7.311 1063 HD2 ARG 148 HD2 ARG 148 10.749 -9.954 6.656 1064 HD3 ARG 148 HD3 ARG 148 9.649 -10.375 5.345 1065 HE ARG 148 HE ARG 148 9.289 -7.866 5.173 1066 HH11 ARG 148 HH11 ARG 148 12.318 -9.306 6.229 1067 HH12 ARG 148 HH12 ARG 148 13.280 -7.955 5.695 1068 HH21 ARG 148 HH21 ARG 148 10.562 -6.107 4.466 1069 HH22 ARG 148 HH22 ARG 148 12.280 -6.120 4.720 1070 H THR 149 H THR 149 4.626 -7.485 8.596 1071 HA THR 149 HA THR 149 3.358 -6.445 6.154 1072 HB THR 149 HB THR 149 2.488 -5.765 8.971 1073 HG1 THR 149 HG1 THR 149 2.497 -8.096 8.620 1074 HG21 THR 149 HG21 THR 149 1.048 -5.850 6.323 1075 HG22 THR 149 HG22 THR 149 1.595 -4.399 7.164 1076 HG23 THR 149 HG23 THR 149 0.334 -5.406 7.873 1077 H ARG 150 H ARG 150 4.684 -4.931 5.347 1078 HA ARG 150 HA ARG 150 6.081 -3.094 7.094 1079 HB2 ARG 150 HB2 ARG 150 7.134 -2.258 5.049 1080 HB3 ARG 150 HB3 ARG 150 7.241 -4.010 5.134 1081 HG2 ARG 150 HG2 ARG 150 5.397 -4.210 3.557 1082 HG3 ARG 150 HG3 ARG 150 5.258 -2.452 3.486 1083 HD2 ARG 150 HD2 ARG 150 7.702 -2.466 2.748 1084 HD3 ARG 150 HD3 ARG 150 7.491 -4.199 2.493 1085 HE ARG 150 HE ARG 150 5.407 -3.011 1.163 1086 HH11 ARG 150 HH11 ARG 150 8.892 -2.977 0.971 1087 HH12 ARG 150 HH12 ARG 150 8.928 -2.425 -0.676 1088 HH21 ARG 150 HH21 ARG 150 5.427 -2.327 -1.004 1089 HH22 ARG 150 HH22 ARG 150 6.945 -2.051 -1.812 1090 H VAL 151 H VAL 151 5.331 -1.159 7.679 1091 HA VAL 151 HA VAL 151 3.165 -0.001 6.061 1092 HB VAL 151 HB VAL 151 2.268 -0.811 8.165 1093 HG11 VAL 151 HG11 VAL 151 2.964 0.127 10.313 1094 HG12 VAL 151 HG12 VAL 151 4.262 1.009 9.508 1095 HG13 VAL 151 HG13 VAL 151 4.273 -0.755 9.529 1096 HG21 VAL 151 HG21 VAL 151 2.449 2.197 8.113 1097 HG22 VAL 151 HG22 VAL 151 1.231 1.248 8.964 1098 HG23 VAL 151 HG23 VAL 151 1.310 1.208 7.202 1099 H SER 152 H SER 152 3.528 1.903 5.240 1100 HA SER 152 HA SER 152 5.713 3.557 6.301 1101 HB2 SER 152 HB2 SER 152 4.292 3.781 3.633 1102 HB3 SER 152 HB3 SER 152 5.747 4.644 4.129 1103 HG SER 152 HG SER 152 6.889 2.741 4.089 1104 H LEU 153 H LEU 153 5.243 5.519 7.197 1105 HA LEU 153 HA LEU 153 2.418 6.353 7.111 1106 HB2 LEU 153 HB2 LEU 153 4.169 6.028 9.520 1107 HB3 LEU 153 HB3 LEU 153 2.629 6.863 9.550 1108 HG LEU 153 HG LEU 153 2.952 3.965 8.757 1109 HD11 LEU 153 HD11 LEU 153 2.054 3.437 10.975 1110 HD12 LEU 153 HD12 LEU 153 2.137 5.144 11.410 1111 HD13 LEU 153 HD13 LEU 153 3.617 4.246 11.075 1112 HD21 LEU 153 HD21 LEU 153 0.545 3.877 9.064 1113 HD22 LEU 153 HD22 LEU 153 0.965 5.101 7.867 1114 HD23 LEU 153 HD23 LEU 153 0.517 5.582 9.504 1115 H MET 154 H MET 154 2.182 8.494 8.354 1116 HA MET 154 HA MET 154 4.135 10.368 7.283 1117 HB2 MET 154 HB2 MET 154 2.537 12.086 7.735 1118 HB3 MET 154 HB3 MET 154 1.644 10.741 7.040 1119 HG2 MET 154 HG2 MET 154 0.869 10.074 9.227 1120 HG3 MET 154 HG3 MET 154 1.836 11.339 9.983 1121 HE1 MET 154 HE1 MET 154 -1.604 12.841 10.668 1122 HE2 MET 154 HE2 MET 154 0.020 12.532 11.282 1123 HE3 MET 154 HE3 MET 154 -1.033 11.182 10.859 1124 H LEU 155 H LEU 155 5.284 11.786 8.550 1125 HA LEU 155 HA LEU 155 5.815 10.993 11.267 1126 HB2 LEU 155 HB2 LEU 155 6.786 13.477 9.839 1127 HB3 LEU 155 HB3 LEU 155 7.462 12.772 11.289 1128 HG LEU 155 HG LEU 155 8.958 12.289 9.519 1129 HD11 LEU 155 HD11 LEU 155 8.663 10.429 11.025 1130 HD12 LEU 155 HD12 LEU 155 8.970 9.854 9.387 1131 HD13 LEU 155 HD13 LEU 155 7.333 9.814 10.042 1132 HD21 LEU 155 HD21 LEU 155 7.519 12.708 7.638 1133 HD22 LEU 155 HD22 LEU 155 6.607 11.237 7.972 1134 HD23 LEU 155 HD23 LEU 155 8.295 11.134 7.467 1135 H HIS 156 H HIS 156 5.676 12.602 13.081 1136 HA HIS 156 HA HIS 156 3.149 14.031 12.928 1137 HB2 HIS 156 HB2 HIS 156 5.006 13.361 15.203 1138 HB3 HIS 156 HB3 HIS 156 3.724 14.549 15.400 1139 HD1 HIS 156 HD1 HIS 156 3.435 12.228 17.189 1140 HD2 HIS 156 HD2 HIS 156 1.991 12.151 13.282 1141 HE1 HIS 156 HE1 HIS 156 1.662 10.443 17.149 1142 HE2 HIS 156 HE2 HIS 156 0.694 10.518 14.822 1143 H GLU 157 H GLU 157 3.117 16.252 14.033 1144 HA GLU 157 HA GLU 157 3.674 18.451 14.000 1145 HB2 GLU 157 HB2 GLU 157 6.478 17.454 13.453 1146 HB3 GLU 157 HB3 GLU 157 6.063 19.143 13.702 1147 HG2 GLU 157 HG2 GLU 157 5.199 18.538 15.950 1148 HG3 GLU 157 HG3 GLU 157 5.798 16.900 15.688 1149 H SER 158 H SER 158 3.205 16.600 11.611 1150 HA SER 158 HA SER 158 4.094 18.331 9.434 1151 HB2 SER 158 HB2 SER 158 4.363 15.839 9.255 1152 HB3 SER 158 HB3 SER 158 2.608 15.689 9.297 1153 HG SER 158 HG SER 158 4.199 16.231 7.205 1154 H LEU 159 H LEU 159 1.833 17.568 7.754 1155 HA LEU 159 HA LEU 159 0.123 19.722 8.106 1156 HB2 LEU 159 HB2 LEU 159 -0.585 17.080 6.825 1157 HB3 LEU 159 HB3 LEU 159 -1.340 18.630 6.509 1158 HG LEU 159 HG LEU 159 1.524 17.937 5.856 1159 HD11 LEU 159 HD11 LEU 159 -0.012 16.688 4.464 1160 HD12 LEU 159 HD12 LEU 159 0.762 17.964 3.523 1161 HD13 LEU 159 HD13 LEU 159 -0.899 18.163 4.081 1162 HD21 LEU 159 HD21 LEU 159 1.184 20.310 6.337 1163 HD22 LEU 159 HD22 LEU 159 -0.124 20.362 5.154 1164 HD23 LEU 159 HD23 LEU 159 1.528 20.038 4.629 1165 H GLU 160 H GLU 160 -0.559 16.315 8.863 1166 HA GLU 160 HA GLU 160 -1.950 15.280 10.298 1167 HB2 GLU 160 HB2 GLU 160 -1.404 17.786 11.881 1168 HB3 GLU 160 HB3 GLU 160 -2.341 16.441 12.520 1169 HG2 GLU 160 HG2 GLU 160 -0.394 14.957 12.108 1170 HG3 GLU 160 HG3 GLU 160 0.533 16.373 11.620 1171 H HIS 161 H HIS 161 -4.039 15.862 11.847 1172 HA HIS 161 HA HIS 161 -5.973 16.548 9.799 1173 HB2 HIS 161 HB2 HIS 161 -6.269 15.369 12.562 1174 HB3 HIS 161 HB3 HIS 161 -7.641 15.750 11.527 1175 HD1 HIS 161 HD1 HIS 161 -5.030 13.229 12.133 1176 HD2 HIS 161 HD2 HIS 161 -7.800 14.119 9.162 1177 HE1 HIS 161 HE1 HIS 161 -5.189 11.157 10.711 1178 HE2 HIS 161 HE2 HIS 161 -6.650 11.835 8.766 1179 H HIS 162 H HIS 162 -7.376 18.212 9.815 1180 HA HIS 162 HA HIS 162 -6.848 20.409 11.644 1181 HB2 HIS 162 HB2 HIS 162 -7.076 20.766 9.174 1182 HB3 HIS 162 HB3 HIS 162 -8.759 20.272 9.291 1183 HD1 HIS 162 HD1 HIS 162 -9.543 22.583 8.437 1184 HD2 HIS 162 HD2 HIS 162 -7.375 22.725 11.983 1185 HE1 HIS 162 HE1 HIS 162 -9.941 24.882 9.379 1186 HE2 HIS 162 HE2 HIS 162 -8.755 24.885 11.609 1187 H HIS 163 H HIS 163 -8.356 17.787 12.181 1188 HA HIS 163 HA HIS 163 -10.501 19.066 13.720 1189 HB2 HIS 163 HB2 HIS 163 -10.682 16.491 12.148 1190 HB3 HIS 163 HB3 HIS 163 -11.786 16.874 13.459 1191 HD1 HIS 163 HD1 HIS 163 -11.881 16.809 10.028 1192 HD2 HIS 163 HD2 HIS 163 -12.805 19.782 12.788 1193 HE1 HIS 163 HE1 HIS 163 -13.448 18.383 8.836 1194 HE2 HIS 163 HE2 HIS 163 -14.127 20.069 10.584 1195 H HIS 164 H HIS 164 -11.023 17.893 15.693 1196 HA HIS 164 HA HIS 164 -8.765 16.219 16.579 1197 HB2 HIS 164 HB2 HIS 164 -10.402 18.185 18.191 1198 HB3 HIS 164 HB3 HIS 164 -9.267 17.041 18.900 1199 HD1 HIS 164 HD1 HIS 164 -9.194 20.337 18.694 1200 HD2 HIS 164 HD2 HIS 164 -6.786 17.537 16.783 1201 HE1 HIS 164 HE1 HIS 164 -7.074 21.554 18.104 1202 HE2 HIS 164 HE2 HIS 164 -5.737 19.899 16.751 1203 H HIS 165 H HIS 165 -9.774 14.340 15.918 1204 HA HIS 165 HA HIS 165 -12.284 13.604 17.237 1205 HB2 HIS 165 HB2 HIS 165 -11.986 13.154 14.799 1206 HB3 HIS 165 HB3 HIS 165 -10.653 12.076 15.188 1207 HD1 HIS 165 HD1 HIS 165 -11.252 9.754 16.210 1208 HD2 HIS 165 HD2 HIS 165 -14.540 12.130 15.265 1209 HE1 HIS 165 HE1 HIS 165 -13.245 8.229 16.303 1210 HE2 HIS 165 HE2 HIS 165 -15.195 9.645 15.558 1211 H HIS 166 H HIS 166 -12.400 12.010 18.772 1212 HA HIS 166 HA HIS 166 -9.968 10.518 19.380 1213 HB2 HIS 166 HB2 HIS 166 -10.283 10.850 21.809 1214 HB3 HIS 166 HB3 HIS 166 -9.936 12.354 20.973 1215 HD1 HIS 166 HD1 HIS 166 -11.920 11.175 23.594 1216 HD2 HIS 166 HD2 HIS 166 -12.678 13.672 20.354 1217 HE1 HIS 166 HE1 HIS 166 -13.949 12.522 24.232 1218 HE2 HIS 166 HE2 HIS 166 -14.508 13.870 22.177