data_18720 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18720 _Entry.PDB_ID 2LYD save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18720 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 123.960 123.960 124.836 -0.876 18720 2 1 1 . 1 1 2 2 ALA C C 2 177.620 177.620 176.882 0.738 18720 3 1 1 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.586 1.324 18720 4 1 1 . 1 1 2 2 ALA CB C 2 19.050 19.050 19.951 -0.901 18720 5 1 1 . 1 1 3 3 ASP N N 3 119.570 119.570 121.949 -2.379 18720 6 1 1 . 1 1 3 3 ASP C C 3 177.150 177.150 177.264 -0.114 18720 7 1 1 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.952 0.848 18720 8 1 1 . 1 1 3 3 ASP CB C 3 41.610 41.610 41.936 -0.326 18720 9 1 1 . 1 1 4 4 GLU N N 4 123.110 123.110 123.355 -0.245 18720 10 1 1 . 1 1 4 4 GLU C C 4 177.710 177.710 178.119 -0.409 18720 11 1 1 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.281 -0.891 18720 12 1 1 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.811 -0.011 18720 13 1 1 . 1 1 5 5 SER N N 5 116.020 116.020 114.970 1.050 18720 14 1 1 . 1 1 5 5 SER CA C 5 60.870 60.870 61.128 -0.258 18720 15 1 1 . 1 1 5 5 SER CB C 5 62.940 62.940 62.685 0.255 18720 16 1 1 . 1 1 6 6 ILE N N 6 123.790 123.790 122.400 1.390 18720 17 1 1 . 1 1 6 6 ILE C C 6 178.180 178.180 178.064 0.116 18720 18 1 1 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.203 0.467 18720 19 1 1 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.672 0.988 18720 20 1 1 . 1 1 7 7 THR N N 7 117.450 117.450 117.092 0.358 18720 21 1 1 . 1 1 7 7 THR C C 7 176.030 176.030 176.777 -0.747 18720 22 1 1 . 1 1 7 7 THR CA C 7 66.370 66.370 66.720 -0.350 18720 23 1 1 . 1 1 7 7 THR CB C 7 68.640 68.640 68.565 0.075 18720 24 1 1 . 1 1 8 8 ARG N N 8 120.770 120.770 121.485 -0.715 18720 25 1 1 . 1 1 8 8 ARG C C 8 179.040 179.040 178.327 0.713 18720 26 1 1 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.899 -0.509 18720 27 1 1 . 1 1 8 8 ARG CB C 8 29.990 29.990 30.155 -0.166 18720 28 1 1 . 1 1 9 9 MET N N 9 119.840 119.840 117.382 2.458 18720 29 1 1 . 1 1 9 9 MET C C 9 178.760 178.760 178.606 0.154 18720 30 1 1 . 1 1 9 9 MET CA C 9 58.240 58.240 57.912 0.328 18720 31 1 1 . 1 1 9 9 MET CB C 9 31.970 31.970 31.418 0.552 18720 32 1 1 . 1 1 10 10 ASN N N 10 120.190 120.190 119.027 1.163 18720 33 1 1 . 1 1 10 10 ASN C C 10 176.660 176.660 177.792 -1.132 18720 34 1 1 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.219 -0.579 18720 35 1 1 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.507 -0.197 18720 36 1 1 . 1 1 11 11 LEU N N 11 121.490 121.490 120.823 0.667 18720 37 1 1 . 1 1 11 11 LEU C C 11 177.690 177.690 177.787 -0.097 18720 38 1 1 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.639 -0.249 18720 39 1 1 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.626 -0.646 18720 40 1 1 . 1 1 12 12 ALA N N 12 120.380 120.380 121.783 -1.403 18720 41 1 1 . 1 1 12 12 ALA C C 12 179.910 179.910 179.422 0.488 18720 42 1 1 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.111 -0.221 18720 43 1 1 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.902 -0.342 18720 44 1 1 . 1 1 13 13 ALA N N 13 119.960 119.960 121.108 -1.148 18720 45 1 1 . 1 1 13 13 ALA C C 13 179.740 179.740 180.017 -0.277 18720 46 1 1 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.655 0.175 18720 47 1 1 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.250 -0.730 18720 48 1 1 . 1 1 14 14 ILE N N 14 118.040 118.040 119.770 -1.730 18720 49 1 1 . 1 1 14 14 ILE C C 14 178.220 178.220 177.714 0.506 18720 50 1 1 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.114 -0.754 18720 51 1 1 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.281 -0.141 18720 52 1 1 . 1 1 15 15 LYS N N 15 118.740 118.740 117.552 1.188 18720 53 1 1 . 1 1 15 15 LYS C C 15 177.440 177.440 178.810 -1.370 18720 54 1 1 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.702 -0.882 18720 55 1 1 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.863 1.027 18720 56 1 1 . 1 1 16 16 LYS N N 16 115.750 115.750 119.288 -3.538 18720 57 1 1 . 1 1 16 16 LYS C C 16 177.060 177.060 177.587 -0.527 18720 58 1 1 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.776 -0.215 18720 59 1 1 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.441 0.149 18720 60 1 1 . 1 1 17 17 ILE N N 17 115.830 115.830 114.563 1.267 18720 61 1 1 . 1 1 17 17 ILE C C 17 175.500 175.500 176.158 -0.658 18720 62 1 1 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.501 -1.061 18720 63 1 1 . 1 1 17 17 ILE CB C 17 38.960 38.960 38.813 0.146 18720 64 1 1 . 1 1 18 18 ASP N N 18 119.320 119.320 122.022 -2.702 18720 65 1 1 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.432 -0.692 18720 66 1 1 . 1 1 18 18 ASP CB C 18 40.710 40.710 41.958 -1.248 18720 67 1 1 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.207 -0.607 18720 68 1 1 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.806 0.204 18720 69 1 1 . 1 1 20 20 TYR N N 20 115.540 115.540 114.394 1.146 18720 70 1 1 . 1 1 20 20 TYR C C 20 175.350 175.350 174.109 1.241 18720 71 1 1 . 1 1 20 20 TYR CA C 20 57.810 57.810 54.402 3.408 18720 72 1 1 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.785 0.355 18720 73 1 1 . 1 1 21 21 ALA N N 21 122.720 122.720 122.817 -0.097 18720 74 1 1 . 1 1 21 21 ALA C C 21 175.410 175.410 175.733 -0.323 18720 75 1 1 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.023 3.307 18720 76 1 1 . 1 1 21 21 ALA CB C 21 20.690 20.690 19.221 1.469 18720 77 1 1 . 1 1 22 22 LYS N N 22 121.370 121.370 124.681 -3.311 18720 78 1 1 . 1 1 22 22 LYS C C 22 175.400 175.400 176.439 -1.039 18720 79 1 1 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.892 -0.072 18720 80 1 1 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.231 1.629 18720 81 1 1 . 1 1 23 23 GLU N N 23 113.820 113.820 119.192 -5.372 18720 82 1 1 . 1 1 23 23 GLU C C 23 174.470 174.470 174.661 -0.191 18720 83 1 1 . 1 1 23 23 GLU CA C 23 55.330 55.330 54.936 0.394 18720 84 1 1 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.905 0.135 18720 85 1 1 . 1 1 24 24 ILE N N 24 125.650 125.650 124.335 1.315 18720 86 1 1 . 1 1 24 24 ILE C C 24 175.360 175.360 176.372 -1.012 18720 87 1 1 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.440 1.330 18720 88 1 1 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.403 -0.793 18720 89 1 1 . 1 1 25 25 VAL N N 25 127.290 127.290 127.172 0.118 18720 90 1 1 . 1 1 25 25 VAL C C 25 175.240 175.240 176.040 -0.800 18720 91 1 1 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.074 -0.454 18720 92 1 1 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.761 0.578 18720 93 1 1 . 1 1 26 26 ASP N N 26 117.410 117.410 116.971 0.439 18720 94 1 1 . 1 1 26 26 ASP C C 26 174.000 174.000 174.106 -0.106 18720 95 1 1 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.445 -0.415 18720 96 1 1 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.285 0.425 18720 97 1 1 . 1 1 27 27 SER N N 27 115.600 115.600 117.121 -1.521 18720 98 1 1 . 1 1 27 27 SER C C 27 172.420 172.420 172.936 -0.516 18720 99 1 1 . 1 1 27 27 SER CA C 27 57.200 57.200 57.052 0.148 18720 100 1 1 . 1 1 27 27 SER CB C 27 67.230 67.230 65.845 1.385 18720 101 1 1 . 1 1 28 28 SER N N 28 113.820 113.820 120.071 -6.251 18720 102 1 1 . 1 1 28 28 SER C C 28 176.140 176.140 175.305 0.835 18720 103 1 1 . 1 1 28 28 SER CA C 28 57.840 57.840 55.971 1.869 18720 104 1 1 . 1 1 28 28 SER CB C 28 65.830 65.830 64.884 0.946 18720 105 1 1 . 1 1 29 29 SER N N 29 121.670 121.670 123.644 -1.974 18720 106 1 1 . 1 1 29 29 SER CA C 29 61.900 61.900 61.706 0.194 18720 107 1 1 . 1 1 29 29 SER CB C 29 63.720 63.720 63.692 0.028 18720 108 1 1 . 1 1 30 30 HIS CA C 30 56.630 56.630 55.878 0.752 18720 109 1 1 . 1 1 31 31 VAL N N 31 127.450 127.450 125.932 1.518 18720 110 1 1 . 1 1 31 31 VAL C C 31 173.480 173.480 173.348 0.132 18720 111 1 1 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.989 -0.659 18720 112 1 1 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.712 -0.171 18720 113 1 1 . 1 1 32 32 ALA N N 32 125.580 125.580 126.076 -0.496 18720 114 1 1 . 1 1 32 32 ALA C C 32 175.260 175.260 175.117 0.143 18720 115 1 1 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.850 0.960 18720 116 1 1 . 1 1 32 32 ALA CB C 32 23.020 23.020 22.874 0.146 18720 117 1 1 . 1 1 33 33 PHE N N 33 123.530 123.530 122.450 1.080 18720 118 1 1 . 1 1 33 33 PHE C C 33 174.210 174.210 173.484 0.726 18720 119 1 1 . 1 1 33 33 PHE CA C 33 56.050 56.050 56.877 -0.827 18720 120 1 1 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.907 -0.887 18720 121 1 1 . 1 1 34 34 TYR N N 34 130.040 130.040 125.820 4.220 18720 122 1 1 . 1 1 34 34 TYR C C 34 173.300 173.300 175.060 -1.760 18720 123 1 1 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.953 0.547 18720 124 1 1 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.920 1.230 18720 125 1 1 . 1 1 35 35 THR N N 35 109.080 109.080 117.819 -8.739 18720 126 1 1 . 1 1 35 35 THR C C 35 172.150 172.150 172.718 -0.568 18720 127 1 1 . 1 1 35 35 THR CA C 35 59.670 59.670 61.696 -2.026 18720 128 1 1 . 1 1 35 35 THR CB C 35 70.820 70.820 71.769 -0.949 18720 129 1 1 . 1 1 36 36 PHE N N 36 126.090 126.090 125.416 0.674 18720 130 1 1 . 1 1 36 36 PHE C C 36 173.570 173.570 173.659 -0.089 18720 131 1 1 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.240 1.670 18720 132 1 1 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.261 -2.491 18720 133 1 1 . 1 1 37 37 ASN N N 37 128.500 128.500 125.078 3.422 18720 134 1 1 . 1 1 37 37 ASN C C 37 175.280 175.280 175.497 -0.217 18720 135 1 1 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.131 0.399 18720 136 1 1 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.096 -1.366 18720 137 1 1 . 1 1 38 38 SER N N 38 121.880 121.880 122.030 -0.150 18720 138 1 1 . 1 1 38 38 SER CB C 38 63.050 63.050 63.155 -0.105 18720 139 1 1 . 1 1 39 39 SER C C 39 175.410 175.410 175.959 -0.549 18720 140 1 1 . 1 1 39 39 SER CA C 39 61.020 61.020 60.816 0.204 18720 141 1 1 . 1 1 39 39 SER CB C 39 62.700 62.700 63.290 -0.590 18720 142 1 1 . 1 1 40 40 GLN N N 40 117.370 117.370 119.421 -2.051 18720 143 1 1 . 1 1 40 40 GLN C C 40 174.910 174.910 175.801 -0.891 18720 144 1 1 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.523 -0.723 18720 145 1 1 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.685 0.125 18720 146 1 1 . 1 1 41 41 ASN N N 41 118.400 118.400 116.266 2.134 18720 147 1 1 . 1 1 41 41 ASN C C 41 173.240 173.240 173.510 -0.270 18720 148 1 1 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.210 -0.010 18720 149 1 1 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.757 -0.117 18720 150 1 1 . 1 1 42 42 GLU N N 42 112.910 112.910 117.010 -4.100 18720 151 1 1 . 1 1 42 42 GLU C C 42 174.620 174.620 174.370 0.250 18720 152 1 1 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.972 -0.862 18720 153 1 1 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.450 1.000 18720 154 1 1 . 1 1 43 43 TRP N N 43 123.140 123.140 120.960 2.180 18720 155 1 1 . 1 1 43 43 TRP C C 43 175.850 175.850 176.855 -1.005 18720 156 1 1 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.191 0.449 18720 157 1 1 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.989 0.621 18720 158 1 1 . 1 1 44 44 GLU N N 44 120.660 120.660 123.104 -2.444 18720 159 1 1 . 1 1 44 44 GLU C C 44 175.030 175.030 175.353 -0.323 18720 160 1 1 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.465 0.655 18720 161 1 1 . 1 1 44 44 GLU CB C 44 32.110 32.110 32.610 -0.500 18720 162 1 1 . 1 1 45 45 LYS N N 45 123.100 123.100 125.964 -2.864 18720 163 1 1 . 1 1 45 45 LYS C C 45 176.810 176.810 176.727 0.083 18720 164 1 1 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.320 0.640 18720 165 1 1 . 1 1 45 45 LYS CB C 45 33.340 33.340 33.060 0.280 18720 166 1 1 . 1 1 46 46 THR N N 46 114.570 114.570 117.561 -2.991 18720 167 1 1 . 1 1 46 46 THR C C 46 174.130 174.130 174.718 -0.588 18720 168 1 1 . 1 1 46 46 THR CA C 46 61.720 61.720 61.087 0.633 18720 169 1 1 . 1 1 46 46 THR CB C 46 71.720 71.720 69.828 1.892 18720 170 1 1 . 1 1 47 47 ASP N N 47 118.590 118.590 119.642 -1.052 18720 171 1 1 . 1 1 47 47 ASP C C 47 174.390 174.390 175.371 -0.981 18720 172 1 1 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.617 -0.707 18720 173 1 1 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.113 -0.243 18720 174 1 1 . 1 1 48 48 VAL N N 48 118.730 118.730 120.659 -1.929 18720 175 1 1 . 1 1 48 48 VAL C C 48 174.840 174.840 173.684 1.156 18720 176 1 1 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.356 1.004 18720 177 1 1 . 1 1 48 48 VAL CB C 48 32.390 32.390 32.326 0.064 18720 178 1 1 . 1 1 49 49 GLU N N 49 127.180 127.180 128.518 -1.338 18720 179 1 1 . 1 1 49 49 GLU C C 49 174.140 174.140 175.234 -1.094 18720 180 1 1 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.062 0.168 18720 181 1 1 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.490 0.380 18720 182 1 1 . 1 1 50 50 GLY N N 50 110.640 110.640 112.126 -1.486 18720 183 1 1 . 1 1 50 50 GLY C C 50 171.360 171.360 171.917 -0.557 18720 184 1 1 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.043 0.677 18720 185 1 1 . 1 1 51 51 ALA N N 51 124.800 124.800 121.862 2.938 18720 186 1 1 . 1 1 51 51 ALA C C 51 174.220 174.220 175.722 -1.502 18720 187 1 1 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.343 1.327 18720 188 1 1 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.747 -0.477 18720 189 1 1 . 1 1 52 52 PHE N N 52 123.680 123.680 125.614 -1.934 18720 190 1 1 . 1 1 52 52 PHE C C 52 173.650 173.650 173.336 0.314 18720 191 1 1 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.078 -0.158 18720 192 1 1 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.401 2.299 18720 193 1 1 . 1 1 53 53 PHE N N 53 123.690 123.690 126.334 -2.644 18720 194 1 1 . 1 1 53 53 PHE C C 53 174.760 174.760 174.055 0.705 18720 195 1 1 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.461 1.059 18720 196 1 1 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.505 -0.085 18720 197 1 1 . 1 1 54 54 ILE N N 54 119.970 119.970 121.361 -1.391 18720 198 1 1 . 1 1 54 54 ILE C C 54 175.240 175.240 174.702 0.538 18720 199 1 1 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.778 -1.288 18720 200 1 1 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.360 -0.470 18720 201 1 1 . 1 1 55 55 TYR N N 55 125.670 125.670 126.621 -0.951 18720 202 1 1 . 1 1 55 55 TYR C C 55 170.980 170.980 175.107 -4.127 18720 203 1 1 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.477 0.843 18720 204 1 1 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.868 2.112 18720 205 1 1 . 1 1 56 56 HIS N N 56 121.710 121.710 122.595 -0.885 18720 206 1 1 . 1 1 56 56 HIS C C 56 175.000 175.000 173.636 1.364 18720 207 1 1 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.681 -1.951 18720 208 1 1 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.316 -0.016 18720 209 1 1 . 1 1 57 57 ARG N N 57 126.870 126.870 125.117 1.753 18720 210 1 1 . 1 1 57 57 ARG C C 57 174.770 174.770 174.103 0.667 18720 211 1 1 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.619 0.411 18720 212 1 1 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.342 1.748 18720 213 1 1 . 1 1 58 58 ASN N N 58 115.660 115.660 120.990 -5.330 18720 214 1 1 . 1 1 58 58 ASN C C 58 173.540 173.540 174.056 -0.516 18720 215 1 1 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.714 -0.944 18720 216 1 1 . 1 1 58 58 ASN CB C 58 39.180 39.180 38.031 1.149 18720 217 1 1 . 1 1 59 59 ALA N N 59 120.190 120.190 121.173 -0.983 18720 218 1 1 . 1 1 59 59 ALA C C 59 173.000 173.000 174.880 -1.880 18720 219 1 1 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.703 -0.363 18720 220 1 1 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.071 0.809 18720 221 1 1 . 1 1 60 60 GLU N N 60 117.270 117.270 119.826 -2.556 18720 222 1 1 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.031 0.479 18720 223 1 1 . 1 1 60 60 GLU CB C 60 29.670 29.670 30.126 -0.456 18720 224 1 1 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.547 -0.487 18720 225 1 1 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.307 1.323 18720 226 1 1 . 1 1 62 62 PHE N N 62 120.680 120.680 119.032 1.648 18720 227 1 1 . 1 1 62 62 PHE C C 62 174.840 174.840 175.499 -0.659 18720 228 1 1 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.631 -0.851 18720 229 1 1 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.719 -0.499 18720 230 1 1 . 1 1 63 63 HIS N N 63 115.820 115.820 112.768 3.052 18720 231 1 1 . 1 1 63 63 HIS C C 63 174.540 174.540 173.839 0.701 18720 232 1 1 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.541 0.449 18720 233 1 1 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.733 0.597 18720 234 1 1 . 1 1 64 64 SER N N 64 114.040 114.040 116.488 -2.448 18720 235 1 1 . 1 1 64 64 SER C C 64 169.620 169.620 172.204 -2.584 18720 236 1 1 . 1 1 64 64 SER CA C 64 55.980 55.980 57.453 -1.473 18720 237 1 1 . 1 1 64 64 SER CB C 64 66.770 66.770 65.506 1.264 18720 238 1 1 . 1 1 65 65 ILE N N 65 125.090 125.090 122.755 2.335 18720 239 1 1 . 1 1 65 65 ILE C C 65 174.630 174.630 173.823 0.807 18720 240 1 1 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.365 -0.145 18720 241 1 1 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.971 -0.381 18720 242 1 1 . 1 1 66 66 PHE N N 66 127.730 127.730 126.588 1.142 18720 243 1 1 . 1 1 66 66 PHE C C 66 174.680 174.680 173.001 1.679 18720 244 1 1 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.602 -0.302 18720 245 1 1 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.413 1.617 18720 246 1 1 . 1 1 67 67 ILE N N 67 124.780 124.780 124.550 0.230 18720 247 1 1 . 1 1 67 67 ILE C C 67 174.180 174.180 173.550 0.630 18720 248 1 1 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.557 0.113 18720 249 1 1 . 1 1 67 67 ILE CB C 67 40.720 40.720 40.989 -0.269 18720 250 1 1 . 1 1 68 68 ASN N N 68 124.620 124.620 124.998 -0.378 18720 251 1 1 . 1 1 68 68 ASN C C 68 174.260 174.260 174.019 0.241 18720 252 1 1 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.878 -0.808 18720 253 1 1 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.346 -0.346 18720 254 1 1 . 1 1 69 69 ASN N N 69 124.120 124.120 125.522 -1.402 18720 255 1 1 . 1 1 69 69 ASN C C 69 175.740 175.740 175.694 0.046 18720 256 1 1 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.951 0.249 18720 257 1 1 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.902 0.618 18720 258 1 1 . 1 1 70 70 ARG N N 70 123.310 123.310 127.990 -4.680 18720 259 1 1 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.751 -1.791 18720 260 1 1 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.596 0.464 18720 261 1 1 . 1 1 73 73 THR C C 73 175.310 175.310 173.197 2.113 18720 262 1 1 . 1 1 73 73 THR CA C 73 62.320 62.320 63.939 -1.619 18720 263 1 1 . 1 1 73 73 THR CB C 73 69.070 69.070 66.848 2.222 18720 264 1 1 . 1 1 74 74 THR N N 74 119.010 119.010 116.376 2.634 18720 265 1 1 . 1 1 74 74 THR C C 74 173.810 173.810 173.118 0.692 18720 266 1 1 . 1 1 74 74 THR CA C 74 62.700 62.700 61.557 1.143 18720 267 1 1 . 1 1 74 74 THR CB C 74 69.750 69.750 72.078 -2.328 18720 268 1 1 . 1 1 75 75 SER N N 75 120.750 120.750 118.600 2.150 18720 269 1 1 . 1 1 75 75 SER C C 75 172.250 172.250 173.523 -1.273 18720 270 1 1 . 1 1 75 75 SER CA C 75 58.300 58.300 57.572 0.728 18720 271 1 1 . 1 1 75 75 SER CB C 75 65.290 65.290 64.726 0.564 18720 272 1 1 . 1 1 76 76 PHE N N 76 122.090 122.090 127.644 -5.554 18720 273 1 1 . 1 1 76 76 PHE C C 76 172.040 172.040 172.802 -0.762 18720 274 1 1 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.599 0.181 18720 275 1 1 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.495 0.805 18720 276 1 1 . 1 1 77 77 VAL N N 77 124.490 124.490 126.504 -2.014 18720 277 1 1 . 1 1 77 77 VAL C C 77 174.390 174.390 173.460 0.930 18720 278 1 1 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.608 0.132 18720 279 1 1 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.220 0.390 18720 280 1 1 . 1 1 78 78 GLU N N 78 125.760 125.760 126.943 -1.183 18720 281 1 1 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.799 -0.679 18720 282 1 1 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.169 0.621 18720 283 1 1 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.489 0.281 18720 284 1 1 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.680 -0.120 18720 285 1 1 . 1 1 80 80 ILE N N 80 123.190 123.190 123.410 -0.220 18720 286 1 1 . 1 1 80 80 ILE C C 80 174.250 174.250 176.278 -2.028 18720 287 1 1 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.522 -0.102 18720 288 1 1 . 1 1 80 80 ILE CB C 80 36.640 36.640 37.833 -1.193 18720 289 1 1 . 1 1 81 81 THR N N 81 115.840 115.840 119.806 -3.966 18720 290 1 1 . 1 1 81 81 THR C C 81 174.140 174.140 175.682 -1.542 18720 291 1 1 . 1 1 81 81 THR CA C 81 59.500 59.500 60.689 -1.189 18720 292 1 1 . 1 1 81 81 THR CB C 81 71.030 71.030 70.505 0.525 18720 293 1 1 . 1 1 82 82 GLY N N 82 128.890 128.890 107.847 21.043 18720 294 1 1 . 1 1 82 82 GLY C C 82 176.630 176.630 174.813 1.817 18720 295 1 1 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.093 1.327 18720 296 1 1 . 1 1 83 83 SER N N 83 113.780 113.780 114.619 -0.839 18720 297 1 1 . 1 1 83 83 SER C C 83 173.410 173.410 174.492 -1.082 18720 298 1 1 . 1 1 83 83 SER CA C 83 57.840 57.840 58.158 -0.318 18720 299 1 1 . 1 1 83 83 SER CB C 83 63.480 63.480 63.673 -0.193 18720 300 1 1 . 1 1 84 84 LEU N N 84 123.770 123.770 123.457 0.313 18720 301 1 1 . 1 1 84 84 LEU C C 84 175.350 175.350 176.604 -1.254 18720 302 1 1 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.079 1.051 18720 303 1 1 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.394 0.296 18720 304 1 1 . 1 1 85 85 GLU N N 85 124.380 124.380 123.769 0.611 18720 305 1 1 . 1 1 85 85 GLU C C 85 174.280 174.280 174.868 -0.588 18720 306 1 1 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.264 -0.394 18720 307 1 1 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.093 1.327 18720 308 1 1 . 1 1 86 86 LEU N N 86 121.400 121.400 124.698 -3.298 18720 309 1 1 . 1 1 86 86 LEU C C 86 177.240 177.240 176.858 0.382 18720 310 1 1 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.755 0.735 18720 311 1 1 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.532 1.587 18720 312 1 1 . 1 1 87 87 GLN N N 87 121.690 121.690 119.541 2.149 18720 313 1 1 . 1 1 87 87 GLN C C 87 173.460 173.460 173.962 -0.502 18720 314 1 1 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.698 1.382 18720 315 1 1 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.319 -1.549 18720 316 1 1 . 1 1 88 88 SER N N 88 120.000 120.000 117.594 2.406 18720 317 1 1 . 1 1 88 88 SER C C 88 174.930 174.930 173.652 1.278 18720 318 1 1 . 1 1 88 88 SER CA C 88 57.540 57.540 57.679 -0.139 18720 319 1 1 . 1 1 88 88 SER CB C 88 63.750 63.750 63.321 0.429 18720 320 1 1 . 1 1 89 89 GLN N N 89 129.170 129.170 127.454 1.716 18720 321 1 1 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.641 0.979 18720 322 1 1 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.729 -0.229 18720 323 1 1 . 1 1 93 93 LEU C C 93 173.810 173.810 174.274 -0.464 18720 324 1 1 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.921 -0.031 18720 325 1 1 . 1 1 93 93 LEU CB C 93 45.790 45.790 44.135 1.655 18720 326 1 1 . 1 1 94 94 LEU N N 94 125.950 125.950 127.548 -1.598 18720 327 1 1 . 1 1 94 94 LEU C C 94 175.680 175.680 174.358 1.322 18720 328 1 1 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.822 1.149 18720 329 1 1 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.069 -1.789 18720 330 1 1 . 1 1 95 95 TYR N N 95 118.250 118.250 121.249 -2.999 18720 331 1 1 . 1 1 95 95 TYR C C 95 171.830 171.830 173.402 -1.572 18720 332 1 1 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.397 1.723 18720 333 1 1 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.261 0.349 18720 334 1 1 . 1 1 96 96 ARG N N 96 114.570 114.570 119.413 -4.843 18720 335 1 1 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.906 -1.706 18720 336 1 1 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.908 0.072 18720 337 1 1 . 1 1 99 99 ARG C C 99 175.470 175.470 175.235 0.235 18720 338 1 1 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.439 0.941 18720 339 1 1 . 1 1 100 100 SER N N 100 110.460 110.460 109.610 0.850 18720 340 1 1 . 1 1 100 100 SER C C 100 173.620 173.620 173.783 -0.163 18720 341 1 1 . 1 1 100 100 SER CA C 100 59.570 59.570 59.385 0.185 18720 342 1 1 . 1 1 100 100 SER CB C 100 62.640 62.640 62.145 0.495 18720 343 1 1 . 1 1 101 101 ARG N N 101 119.500 119.500 119.439 0.061 18720 344 1 1 . 1 1 101 101 ARG C C 101 174.900 174.900 174.479 0.421 18720 345 1 1 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.369 0.141 18720 346 1 1 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.484 -2.014 18720 347 1 1 . 1 1 102 102 ILE N N 102 124.730 124.730 121.717 3.013 18720 348 1 1 . 1 1 102 102 ILE C C 102 175.360 175.360 174.777 0.583 18720 349 1 1 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.501 1.169 18720 350 1 1 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.406 -0.676 18720 351 1 1 . 1 1 103 103 ARG N N 103 130.770 130.770 125.050 5.720 18720 352 1 1 . 1 1 103 103 ARG C C 103 173.480 173.480 174.375 -0.895 18720 353 1 1 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.242 0.588 18720 354 1 1 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.922 1.367 18720 355 1 1 . 1 1 104 104 GLY N N 104 128.260 128.260 107.632 20.628 18720 356 1 1 . 1 1 104 104 GLY C C 104 170.890 170.890 171.480 -0.590 18720 357 1 1 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.093 2.346 18720 358 1 1 . 1 1 105 105 PHE N N 105 118.120 118.120 117.923 0.197 18720 359 1 1 . 1 1 105 105 PHE C C 105 173.920 173.920 174.073 -0.153 18720 360 1 1 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.848 -2.188 18720 361 1 1 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.777 -0.557 18720 362 1 1 . 1 1 106 106 TRP N N 106 124.290 124.290 124.810 -0.520 18720 363 1 1 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.904 -0.493 18720 364 1 1 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.639 -0.759 18720 365 1 1 . 1 1 110 110 SER C C 110 175.240 175.240 175.980 -0.740 18720 366 1 1 . 1 1 110 110 SER CA C 110 62.920 62.920 61.352 1.568 18720 367 1 1 . 1 1 110 110 SER CB C 110 64.980 64.980 63.270 1.710 18720 368 1 1 . 1 1 111 111 GLU N N 111 122.310 122.310 119.391 2.919 18720 369 1 1 . 1 1 111 111 GLU C C 111 179.150 179.150 178.436 0.714 18720 370 1 1 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.427 0.113 18720 371 1 1 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.072 -0.502 18720 372 1 1 . 1 1 112 112 GLU N N 112 118.920 118.920 120.310 -1.390 18720 373 1 1 . 1 1 112 112 GLU C C 112 176.360 176.360 178.411 -2.051 18720 374 1 1 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.021 -0.941 18720 375 1 1 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.468 0.772 18720 376 1 1 . 1 1 113 113 CYS N N 113 117.090 117.090 117.308 -0.218 18720 377 1 1 . 1 1 113 113 CYS C C 113 176.110 176.110 176.007 0.103 18720 378 1 1 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.642 -1.142 18720 379 1 1 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.799 0.000 18720 380 1 1 . 1 1 114 114 ASP N N 114 118.820 118.820 120.359 -1.539 18720 381 1 1 . 1 1 114 114 ASP C C 114 178.460 178.460 178.106 0.354 18720 382 1 1 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.011 0.329 18720 383 1 1 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.533 0.537 18720 384 1 1 . 1 1 115 115 ARG N N 115 120.870 120.870 119.164 1.706 18720 385 1 1 . 1 1 115 115 ARG C C 115 179.440 179.440 178.957 0.483 18720 386 1 1 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.276 0.374 18720 387 1 1 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.162 0.538 18720 388 1 1 . 1 1 116 116 ILE N N 116 119.500 119.500 119.682 -0.182 18720 389 1 1 . 1 1 116 116 ILE C C 116 177.680 177.680 177.951 -0.271 18720 390 1 1 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.424 -1.484 18720 391 1 1 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.581 -1.861 18720 392 1 1 . 1 1 117 117 SER N N 117 115.890 115.890 115.860 0.030 18720 393 1 1 . 1 1 117 117 SER C C 117 176.720 176.720 176.955 -0.235 18720 394 1 1 . 1 1 117 117 SER CA C 117 62.630 62.630 61.912 0.718 18720 395 1 1 . 1 1 117 117 SER CB C 117 62.660 62.660 62.710 -0.050 18720 396 1 1 . 1 1 118 118 GLY N N 118 130.780 130.780 109.971 20.809 18720 397 1 1 . 1 1 118 118 GLY C C 118 176.570 176.570 175.592 0.978 18720 398 1 1 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.053 0.037 18720 399 1 1 . 1 1 119 119 LEU N N 119 124.450 124.450 122.520 1.930 18720 400 1 1 . 1 1 119 119 LEU C C 119 179.470 179.470 178.898 0.572 18720 401 1 1 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.748 0.062 18720 402 1 1 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.719 0.591 18720 403 1 1 . 1 1 120 120 VAL N N 120 119.140 119.140 119.008 0.132 18720 404 1 1 . 1 1 120 120 VAL C C 120 177.380 177.380 177.818 -0.438 18720 405 1 1 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.872 0.558 18720 406 1 1 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.337 -0.467 18720 407 1 1 . 1 1 121 121 ASN N N 121 116.650 116.650 118.398 -1.748 18720 408 1 1 . 1 1 121 121 ASN C C 121 178.330 178.330 177.749 0.581 18720 409 1 1 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.817 -0.147 18720 410 1 1 . 1 1 121 121 ASN CB C 121 38.560 38.560 38.000 0.560 18720 411 1 1 . 1 1 122 122 GLY N N 122 129.450 129.450 108.667 20.783 18720 412 1 1 . 1 1 122 122 GLY C C 122 176.190 176.190 175.680 0.510 18720 413 1 1 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.784 -0.004 18720 414 1 1 . 1 1 123 123 LEU N N 123 121.510 121.510 122.237 -0.727 18720 415 1 1 . 1 1 123 123 LEU C C 123 179.060 179.060 179.794 -0.734 18720 416 1 1 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.287 -0.897 18720 417 1 1 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.540 0.050 18720 418 1 1 . 1 1 124 124 LEU N N 124 119.080 119.080 117.842 1.238 18720 419 1 1 . 1 1 124 124 LEU C C 124 177.880 177.880 178.122 -0.242 18720 420 1 1 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.411 -1.131 18720 421 1 1 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.848 0.452 18720 422 1 1 . 1 1 125 125 LYS N N 125 118.600 118.600 114.503 4.097 18720 423 1 1 . 1 1 125 125 LYS C C 125 176.540 176.540 176.783 -0.243 18720 424 1 1 . 1 1 125 125 LYS CA C 125 56.470 56.470 56.395 0.075 18720 425 1 1 . 1 1 125 125 LYS CB C 125 32.730 32.730 33.110 -0.380 18720 426 1 1 . 1 1 126 126 SER N N 126 116.570 116.570 115.234 1.336 18720 427 1 1 . 1 1 126 126 SER C C 126 173.590 173.590 172.443 1.147 18720 428 1 1 . 1 1 126 126 SER CA C 126 58.550 58.550 57.476 1.074 18720 429 1 1 . 1 1 126 126 SER CB C 126 63.880 63.880 64.790 -0.910 18720 430 1 2 . 1 1 2 2 ALA N N 2 123.960 123.960 124.864 -0.904 18720 431 1 2 . 1 1 2 2 ALA C C 2 177.620 177.620 175.553 2.067 18720 432 1 2 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.473 1.437 18720 433 1 2 . 1 1 2 2 ALA CB C 2 19.050 19.050 21.757 -2.707 18720 434 1 2 . 1 1 3 3 ASP N N 3 119.570 119.570 123.536 -3.966 18720 435 1 2 . 1 1 3 3 ASP C C 3 177.150 177.150 176.638 0.512 18720 436 1 2 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.705 1.095 18720 437 1 2 . 1 1 3 3 ASP CB C 3 41.610 41.610 41.380 0.230 18720 438 1 2 . 1 1 4 4 GLU N N 4 123.110 123.110 123.728 -0.618 18720 439 1 2 . 1 1 4 4 GLU C C 4 177.710 177.710 177.678 0.032 18720 440 1 2 . 1 1 4 4 GLU CA C 4 58.390 58.390 58.951 -0.561 18720 441 1 2 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.765 0.035 18720 442 1 2 . 1 1 5 5 SER N N 5 116.020 116.020 115.176 0.844 18720 443 1 2 . 1 1 5 5 SER CA C 5 60.870 60.870 61.339 -0.469 18720 444 1 2 . 1 1 5 5 SER CB C 5 62.940 62.940 62.437 0.503 18720 445 1 2 . 1 1 6 6 ILE N N 6 123.790 123.790 121.119 2.671 18720 446 1 2 . 1 1 6 6 ILE C C 6 178.180 178.180 178.177 0.003 18720 447 1 2 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.268 0.402 18720 448 1 2 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.705 0.956 18720 449 1 2 . 1 1 7 7 THR N N 7 117.450 117.450 116.754 0.696 18720 450 1 2 . 1 1 7 7 THR C C 7 176.030 176.030 176.862 -0.832 18720 451 1 2 . 1 1 7 7 THR CA C 7 66.370 66.370 67.128 -0.758 18720 452 1 2 . 1 1 7 7 THR CB C 7 68.640 68.640 68.459 0.181 18720 453 1 2 . 1 1 8 8 ARG N N 8 120.770 120.770 120.711 0.059 18720 454 1 2 . 1 1 8 8 ARG C C 8 179.040 179.040 178.452 0.588 18720 455 1 2 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.962 -0.572 18720 456 1 2 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.993 -0.003 18720 457 1 2 . 1 1 9 9 MET N N 9 119.840 119.840 118.249 1.591 18720 458 1 2 . 1 1 9 9 MET C C 9 178.760 178.760 178.527 0.233 18720 459 1 2 . 1 1 9 9 MET CA C 9 58.240 58.240 57.869 0.371 18720 460 1 2 . 1 1 9 9 MET CB C 9 31.970 31.970 31.432 0.538 18720 461 1 2 . 1 1 10 10 ASN N N 10 120.190 120.190 118.786 1.404 18720 462 1 2 . 1 1 10 10 ASN C C 10 176.660 176.660 177.928 -1.268 18720 463 1 2 . 1 1 10 10 ASN CA C 10 55.640 55.640 55.969 -0.329 18720 464 1 2 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.208 0.102 18720 465 1 2 . 1 1 11 11 LEU N N 11 121.490 121.490 121.182 0.308 18720 466 1 2 . 1 1 11 11 LEU C C 11 177.690 177.690 177.971 -0.281 18720 467 1 2 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.802 -0.412 18720 468 1 2 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.521 -0.541 18720 469 1 2 . 1 1 12 12 ALA N N 12 120.380 120.380 121.417 -1.037 18720 470 1 2 . 1 1 12 12 ALA C C 12 179.910 179.910 179.917 -0.007 18720 471 1 2 . 1 1 12 12 ALA CA C 12 54.890 54.890 54.951 -0.061 18720 472 1 2 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.851 -0.291 18720 473 1 2 . 1 1 13 13 ALA N N 13 119.960 119.960 121.992 -2.032 18720 474 1 2 . 1 1 13 13 ALA C C 13 179.740 179.740 179.817 -0.077 18720 475 1 2 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.662 0.168 18720 476 1 2 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.250 -0.730 18720 477 1 2 . 1 1 14 14 ILE N N 14 118.040 118.040 119.742 -1.702 18720 478 1 2 . 1 1 14 14 ILE C C 14 178.220 178.220 177.695 0.525 18720 479 1 2 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.122 -0.762 18720 480 1 2 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.255 -0.115 18720 481 1 2 . 1 1 15 15 LYS N N 15 118.740 118.740 117.614 1.126 18720 482 1 2 . 1 1 15 15 LYS C C 15 177.440 177.440 178.171 -0.731 18720 483 1 2 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.449 -0.629 18720 484 1 2 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.856 1.034 18720 485 1 2 . 1 1 16 16 LYS N N 16 115.750 115.750 117.380 -1.630 18720 486 1 2 . 1 1 16 16 LYS C C 16 177.060 177.060 177.528 -0.468 18720 487 1 2 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.420 0.140 18720 488 1 2 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.371 0.219 18720 489 1 2 . 1 1 17 17 ILE N N 17 115.830 115.830 114.495 1.335 18720 490 1 2 . 1 1 17 17 ILE C C 17 175.500 175.500 176.038 -0.538 18720 491 1 2 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.297 -0.857 18720 492 1 2 . 1 1 17 17 ILE CB C 17 38.960 38.960 38.959 0.001 18720 493 1 2 . 1 1 18 18 ASP N N 18 119.320 119.320 122.259 -2.939 18720 494 1 2 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.374 -0.634 18720 495 1 2 . 1 1 18 18 ASP CB C 18 40.710 40.710 41.780 -1.070 18720 496 1 2 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.075 -0.475 18720 497 1 2 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.717 0.293 18720 498 1 2 . 1 1 20 20 TYR N N 20 115.540 115.540 113.620 1.920 18720 499 1 2 . 1 1 20 20 TYR C C 20 175.350 175.350 174.590 0.760 18720 500 1 2 . 1 1 20 20 TYR CA C 20 57.810 57.810 55.207 2.603 18720 501 1 2 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.936 0.204 18720 502 1 2 . 1 1 21 21 ALA N N 21 122.720 122.720 122.869 -0.149 18720 503 1 2 . 1 1 21 21 ALA C C 21 175.410 175.410 176.353 -0.943 18720 504 1 2 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.504 2.826 18720 505 1 2 . 1 1 21 21 ALA CB C 21 20.690 20.690 18.920 1.770 18720 506 1 2 . 1 1 22 22 LYS N N 22 121.370 121.370 123.769 -2.399 18720 507 1 2 . 1 1 22 22 LYS C C 22 175.400 175.400 176.652 -1.252 18720 508 1 2 . 1 1 22 22 LYS CA C 22 56.820 56.820 57.261 -0.441 18720 509 1 2 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.042 1.818 18720 510 1 2 . 1 1 23 23 GLU N N 23 113.820 113.820 119.289 -5.469 18720 511 1 2 . 1 1 23 23 GLU C C 23 174.470 174.470 174.400 0.070 18720 512 1 2 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.107 0.223 18720 513 1 2 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.913 0.127 18720 514 1 2 . 1 1 24 24 ILE N N 24 125.650 125.650 124.917 0.733 18720 515 1 2 . 1 1 24 24 ILE C C 24 175.360 175.360 176.275 -0.915 18720 516 1 2 . 1 1 24 24 ILE CA C 24 62.770 62.770 62.023 0.747 18720 517 1 2 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.087 -0.477 18720 518 1 2 . 1 1 25 25 VAL N N 25 127.290 127.290 127.549 -0.259 18720 519 1 2 . 1 1 25 25 VAL C C 25 175.240 175.240 176.025 -0.785 18720 520 1 2 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.204 -0.584 18720 521 1 2 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.805 0.535 18720 522 1 2 . 1 1 26 26 ASP N N 26 117.410 117.410 117.208 0.202 18720 523 1 2 . 1 1 26 26 ASP C C 26 174.000 174.000 173.999 0.001 18720 524 1 2 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.494 -0.464 18720 525 1 2 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.367 0.343 18720 526 1 2 . 1 1 27 27 SER N N 27 115.600 115.600 117.759 -2.159 18720 527 1 2 . 1 1 27 27 SER C C 27 172.420 172.420 173.038 -0.618 18720 528 1 2 . 1 1 27 27 SER CA C 27 57.200 57.200 56.844 0.356 18720 529 1 2 . 1 1 27 27 SER CB C 27 67.230 67.230 65.898 1.331 18720 530 1 2 . 1 1 28 28 SER N N 28 113.820 113.820 119.858 -6.038 18720 531 1 2 . 1 1 28 28 SER C C 28 176.140 176.140 175.471 0.669 18720 532 1 2 . 1 1 28 28 SER CA C 28 57.840 57.840 55.842 1.998 18720 533 1 2 . 1 1 28 28 SER CB C 28 65.830 65.830 64.787 1.043 18720 534 1 2 . 1 1 29 29 SER N N 29 121.670 121.670 124.448 -2.778 18720 535 1 2 . 1 1 29 29 SER CA C 29 61.900 61.900 61.443 0.458 18720 536 1 2 . 1 1 29 29 SER CB C 29 63.720 63.720 63.658 0.062 18720 537 1 2 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.161 0.469 18720 538 1 2 . 1 1 31 31 VAL N N 31 127.450 127.450 125.764 1.686 18720 539 1 2 . 1 1 31 31 VAL C C 31 173.480 173.480 173.251 0.229 18720 540 1 2 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.675 -0.345 18720 541 1 2 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.671 -0.131 18720 542 1 2 . 1 1 32 32 ALA N N 32 125.580 125.580 126.384 -0.804 18720 543 1 2 . 1 1 32 32 ALA C C 32 175.260 175.260 175.151 0.109 18720 544 1 2 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.849 0.961 18720 545 1 2 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.029 -0.009 18720 546 1 2 . 1 1 33 33 PHE N N 33 123.530 123.530 122.517 1.013 18720 547 1 2 . 1 1 33 33 PHE C C 33 174.210 174.210 173.458 0.752 18720 548 1 2 . 1 1 33 33 PHE CA C 33 56.050 56.050 56.921 -0.871 18720 549 1 2 . 1 1 33 33 PHE CB C 33 41.020 41.020 42.044 -1.024 18720 550 1 2 . 1 1 34 34 TYR N N 34 130.040 130.040 125.884 4.156 18720 551 1 2 . 1 1 34 34 TYR C C 34 173.300 173.300 174.985 -1.685 18720 552 1 2 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.968 0.532 18720 553 1 2 . 1 1 34 34 TYR CB C 34 44.150 44.150 43.041 1.109 18720 554 1 2 . 1 1 35 35 THR N N 35 109.080 109.080 117.944 -8.864 18720 555 1 2 . 1 1 35 35 THR C C 35 172.150 172.150 172.607 -0.457 18720 556 1 2 . 1 1 35 35 THR CA C 35 59.670 59.670 61.395 -1.725 18720 557 1 2 . 1 1 35 35 THR CB C 35 70.820 70.820 71.679 -0.859 18720 558 1 2 . 1 1 36 36 PHE N N 36 126.090 126.090 125.026 1.064 18720 559 1 2 . 1 1 36 36 PHE C C 36 173.570 173.570 173.667 -0.097 18720 560 1 2 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.217 1.693 18720 561 1 2 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.399 -2.629 18720 562 1 2 . 1 1 37 37 ASN N N 37 128.500 128.500 125.414 3.086 18720 563 1 2 . 1 1 37 37 ASN C C 37 175.280 175.280 175.100 0.180 18720 564 1 2 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.416 0.114 18720 565 1 2 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.705 -1.974 18720 566 1 2 . 1 1 38 38 SER N N 38 121.880 121.880 122.815 -0.935 18720 567 1 2 . 1 1 38 38 SER CB C 38 63.050 63.050 62.967 0.083 18720 568 1 2 . 1 1 39 39 SER C C 39 175.410 175.410 175.712 -0.302 18720 569 1 2 . 1 1 39 39 SER CA C 39 61.020 61.020 61.000 0.020 18720 570 1 2 . 1 1 39 39 SER CB C 39 62.700 62.700 63.364 -0.664 18720 571 1 2 . 1 1 40 40 GLN N N 40 117.370 117.370 118.521 -1.151 18720 572 1 2 . 1 1 40 40 GLN C C 40 174.910 174.910 175.659 -0.749 18720 573 1 2 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.176 -0.376 18720 574 1 2 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.304 0.506 18720 575 1 2 . 1 1 41 41 ASN N N 41 118.400 118.400 116.948 1.452 18720 576 1 2 . 1 1 41 41 ASN C C 41 173.240 173.240 173.504 -0.264 18720 577 1 2 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.161 0.039 18720 578 1 2 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.675 -0.035 18720 579 1 2 . 1 1 42 42 GLU N N 42 112.910 112.910 117.469 -4.559 18720 580 1 2 . 1 1 42 42 GLU C C 42 174.620 174.620 174.479 0.141 18720 581 1 2 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.676 -0.566 18720 582 1 2 . 1 1 42 42 GLU CB C 42 34.450 34.450 32.696 1.754 18720 583 1 2 . 1 1 43 43 TRP N N 43 123.140 123.140 122.559 0.581 18720 584 1 2 . 1 1 43 43 TRP C C 43 175.850 175.850 176.510 -0.660 18720 585 1 2 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.363 0.277 18720 586 1 2 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.629 0.981 18720 587 1 2 . 1 1 44 44 GLU N N 44 120.660 120.660 124.543 -3.883 18720 588 1 2 . 1 1 44 44 GLU C C 44 175.030 175.030 175.084 -0.054 18720 589 1 2 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.538 0.582 18720 590 1 2 . 1 1 44 44 GLU CB C 44 32.110 32.110 33.088 -0.978 18720 591 1 2 . 1 1 45 45 LYS N N 45 123.100 123.100 127.507 -4.407 18720 592 1 2 . 1 1 45 45 LYS C C 45 176.810 176.810 176.588 0.222 18720 593 1 2 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.454 0.506 18720 594 1 2 . 1 1 45 45 LYS CB C 45 33.340 33.340 33.009 0.331 18720 595 1 2 . 1 1 46 46 THR N N 46 114.570 114.570 117.596 -3.026 18720 596 1 2 . 1 1 46 46 THR C C 46 174.130 174.130 174.485 -0.355 18720 597 1 2 . 1 1 46 46 THR CA C 46 61.720 61.720 60.950 0.770 18720 598 1 2 . 1 1 46 46 THR CB C 46 71.720 71.720 69.751 1.969 18720 599 1 2 . 1 1 47 47 ASP N N 47 118.590 118.590 118.497 0.093 18720 600 1 2 . 1 1 47 47 ASP C C 47 174.390 174.390 175.450 -1.060 18720 601 1 2 . 1 1 47 47 ASP CA C 47 53.910 53.910 53.937 -0.027 18720 602 1 2 . 1 1 47 47 ASP CB C 47 39.870 39.870 39.717 0.153 18720 603 1 2 . 1 1 48 48 VAL N N 48 118.730 118.730 121.186 -2.456 18720 604 1 2 . 1 1 48 48 VAL C C 48 174.840 174.840 173.908 0.932 18720 605 1 2 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.642 0.718 18720 606 1 2 . 1 1 48 48 VAL CB C 48 32.390 32.390 32.487 -0.097 18720 607 1 2 . 1 1 49 49 GLU N N 49 127.180 127.180 128.872 -1.692 18720 608 1 2 . 1 1 49 49 GLU C C 49 174.140 174.140 175.022 -0.882 18720 609 1 2 . 1 1 49 49 GLU CA C 49 55.230 55.230 54.989 0.241 18720 610 1 2 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.481 0.389 18720 611 1 2 . 1 1 50 50 GLY N N 50 110.640 110.640 112.073 -1.433 18720 612 1 2 . 1 1 50 50 GLY C C 50 171.360 171.360 171.944 -0.584 18720 613 1 2 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.028 0.692 18720 614 1 2 . 1 1 51 51 ALA N N 51 124.800 124.800 121.735 3.065 18720 615 1 2 . 1 1 51 51 ALA C C 51 174.220 174.220 175.715 -1.495 18720 616 1 2 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.324 1.346 18720 617 1 2 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.452 -0.182 18720 618 1 2 . 1 1 52 52 PHE N N 52 123.680 123.680 125.778 -2.098 18720 619 1 2 . 1 1 52 52 PHE C C 52 173.650 173.650 173.335 0.315 18720 620 1 2 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.016 -0.096 18720 621 1 2 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.505 2.195 18720 622 1 2 . 1 1 53 53 PHE N N 53 123.690 123.690 126.328 -2.638 18720 623 1 2 . 1 1 53 53 PHE C C 53 174.760 174.760 174.050 0.710 18720 624 1 2 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.399 1.121 18720 625 1 2 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.428 -0.009 18720 626 1 2 . 1 1 54 54 ILE N N 54 119.970 119.970 121.333 -1.363 18720 627 1 2 . 1 1 54 54 ILE C C 54 175.240 175.240 174.651 0.589 18720 628 1 2 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.748 -1.258 18720 629 1 2 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.366 -0.476 18720 630 1 2 . 1 1 55 55 TYR N N 55 125.670 125.670 126.526 -0.856 18720 631 1 2 . 1 1 55 55 TYR C C 55 170.980 170.980 175.123 -4.143 18720 632 1 2 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.550 0.770 18720 633 1 2 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.857 2.123 18720 634 1 2 . 1 1 56 56 HIS N N 56 121.710 121.710 122.597 -0.887 18720 635 1 2 . 1 1 56 56 HIS C C 56 175.000 175.000 173.629 1.371 18720 636 1 2 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.720 -1.990 18720 637 1 2 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.203 0.097 18720 638 1 2 . 1 1 57 57 ARG N N 57 126.870 126.870 124.881 1.989 18720 639 1 2 . 1 1 57 57 ARG C C 57 174.770 174.770 173.930 0.840 18720 640 1 2 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.781 0.249 18720 641 1 2 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.575 1.515 18720 642 1 2 . 1 1 58 58 ASN N N 58 115.660 115.660 120.579 -4.919 18720 643 1 2 . 1 1 58 58 ASN C C 58 173.540 173.540 174.097 -0.557 18720 644 1 2 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.327 -0.557 18720 645 1 2 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.356 1.824 18720 646 1 2 . 1 1 59 59 ALA N N 59 120.190 120.190 121.147 -0.957 18720 647 1 2 . 1 1 59 59 ALA C C 59 173.000 173.000 174.668 -1.668 18720 648 1 2 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.774 -0.434 18720 649 1 2 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.244 0.635 18720 650 1 2 . 1 1 60 60 GLU N N 60 117.270 117.270 119.748 -2.478 18720 651 1 2 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.093 0.417 18720 652 1 2 . 1 1 60 60 GLU CB C 60 29.670 29.670 30.259 -0.590 18720 653 1 2 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.553 -0.493 18720 654 1 2 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.374 1.256 18720 655 1 2 . 1 1 62 62 PHE N N 62 120.680 120.680 119.103 1.577 18720 656 1 2 . 1 1 62 62 PHE C C 62 174.840 174.840 175.512 -0.672 18720 657 1 2 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.642 -0.862 18720 658 1 2 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.709 -0.489 18720 659 1 2 . 1 1 63 63 HIS N N 63 115.820 115.820 112.753 3.067 18720 660 1 2 . 1 1 63 63 HIS C C 63 174.540 174.540 173.854 0.686 18720 661 1 2 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.593 0.397 18720 662 1 2 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.755 0.575 18720 663 1 2 . 1 1 64 64 SER N N 64 114.040 114.040 116.480 -2.440 18720 664 1 2 . 1 1 64 64 SER C C 64 169.620 169.620 172.248 -2.628 18720 665 1 2 . 1 1 64 64 SER CA C 64 55.980 55.980 57.527 -1.547 18720 666 1 2 . 1 1 64 64 SER CB C 64 66.770 66.770 65.486 1.284 18720 667 1 2 . 1 1 65 65 ILE N N 65 125.090 125.090 122.789 2.301 18720 668 1 2 . 1 1 65 65 ILE C C 65 174.630 174.630 173.857 0.773 18720 669 1 2 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.343 -0.123 18720 670 1 2 . 1 1 65 65 ILE CB C 65 40.590 40.590 41.032 -0.442 18720 671 1 2 . 1 1 66 66 PHE N N 66 127.730 127.730 126.602 1.128 18720 672 1 2 . 1 1 66 66 PHE C C 66 174.680 174.680 173.018 1.662 18720 673 1 2 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.717 -0.417 18720 674 1 2 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.470 1.560 18720 675 1 2 . 1 1 67 67 ILE N N 67 124.780 124.780 124.467 0.313 18720 676 1 2 . 1 1 67 67 ILE C C 67 174.180 174.180 173.668 0.512 18720 677 1 2 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.549 0.121 18720 678 1 2 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.160 -0.440 18720 679 1 2 . 1 1 68 68 ASN N N 68 124.620 124.620 124.794 -0.174 18720 680 1 2 . 1 1 68 68 ASN C C 68 174.260 174.260 173.975 0.285 18720 681 1 2 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.839 -0.769 18720 682 1 2 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.561 -0.561 18720 683 1 2 . 1 1 69 69 ASN N N 69 124.120 124.120 125.451 -1.331 18720 684 1 2 . 1 1 69 69 ASN C C 69 175.740 175.740 176.088 -0.348 18720 685 1 2 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.875 0.325 18720 686 1 2 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.813 0.707 18720 687 1 2 . 1 1 70 70 ARG N N 70 123.310 123.310 126.973 -3.663 18720 688 1 2 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.993 -2.033 18720 689 1 2 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.563 0.497 18720 690 1 2 . 1 1 73 73 THR C C 73 175.310 175.310 173.104 2.206 18720 691 1 2 . 1 1 73 73 THR CA C 73 62.320 62.320 63.696 -1.376 18720 692 1 2 . 1 1 73 73 THR CB C 73 69.070 69.070 67.075 1.995 18720 693 1 2 . 1 1 74 74 THR N N 74 119.010 119.010 116.308 2.702 18720 694 1 2 . 1 1 74 74 THR C C 74 173.810 173.810 172.991 0.819 18720 695 1 2 . 1 1 74 74 THR CA C 74 62.700 62.700 61.280 1.420 18720 696 1 2 . 1 1 74 74 THR CB C 74 69.750 69.750 72.308 -2.558 18720 697 1 2 . 1 1 75 75 SER N N 75 120.750 120.750 118.584 2.166 18720 698 1 2 . 1 1 75 75 SER C C 75 172.250 172.250 173.481 -1.231 18720 699 1 2 . 1 1 75 75 SER CA C 75 58.300 58.300 57.606 0.694 18720 700 1 2 . 1 1 75 75 SER CB C 75 65.290 65.290 64.960 0.330 18720 701 1 2 . 1 1 76 76 PHE N N 76 122.090 122.090 126.606 -4.516 18720 702 1 2 . 1 1 76 76 PHE C C 76 172.040 172.040 172.737 -0.697 18720 703 1 2 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.708 0.072 18720 704 1 2 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.697 0.603 18720 705 1 2 . 1 1 77 77 VAL N N 77 124.490 124.490 126.510 -2.020 18720 706 1 2 . 1 1 77 77 VAL C C 77 174.390 174.390 173.421 0.969 18720 707 1 2 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.629 0.111 18720 708 1 2 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.102 0.508 18720 709 1 2 . 1 1 78 78 GLU N N 78 125.760 125.760 127.157 -1.397 18720 710 1 2 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.756 -0.636 18720 711 1 2 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.154 0.636 18720 712 1 2 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.481 0.289 18720 713 1 2 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.671 -0.111 18720 714 1 2 . 1 1 80 80 ILE N N 80 123.190 123.190 123.387 -0.197 18720 715 1 2 . 1 1 80 80 ILE C C 80 174.250 174.250 176.382 -2.132 18720 716 1 2 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.461 -0.041 18720 717 1 2 . 1 1 80 80 ILE CB C 80 36.640 36.640 37.506 -0.866 18720 718 1 2 . 1 1 81 81 THR N N 81 115.840 115.840 118.312 -2.472 18720 719 1 2 . 1 1 81 81 THR C C 81 174.140 174.140 175.673 -1.533 18720 720 1 2 . 1 1 81 81 THR CA C 81 59.500 59.500 60.546 -1.046 18720 721 1 2 . 1 1 81 81 THR CB C 81 71.030 71.030 70.695 0.335 18720 722 1 2 . 1 1 82 82 GLY N N 82 128.890 128.890 107.618 21.272 18720 723 1 2 . 1 1 82 82 GLY C C 82 176.630 176.630 174.839 1.791 18720 724 1 2 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.069 1.351 18720 725 1 2 . 1 1 83 83 SER N N 83 113.780 113.780 113.916 -0.136 18720 726 1 2 . 1 1 83 83 SER C C 83 173.410 173.410 174.677 -1.267 18720 727 1 2 . 1 1 83 83 SER CA C 83 57.840 57.840 58.153 -0.313 18720 728 1 2 . 1 1 83 83 SER CB C 83 63.480 63.480 62.944 0.535 18720 729 1 2 . 1 1 84 84 LEU N N 84 123.770 123.770 123.562 0.208 18720 730 1 2 . 1 1 84 84 LEU C C 84 175.350 175.350 176.453 -1.103 18720 731 1 2 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.088 1.042 18720 732 1 2 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.440 0.250 18720 733 1 2 . 1 1 85 85 GLU N N 85 124.380 124.380 123.421 0.959 18720 734 1 2 . 1 1 85 85 GLU C C 85 174.280 174.280 174.820 -0.540 18720 735 1 2 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.304 -0.434 18720 736 1 2 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.249 1.171 18720 737 1 2 . 1 1 86 86 LEU N N 86 121.400 121.400 124.536 -3.136 18720 738 1 2 . 1 1 86 86 LEU C C 86 177.240 177.240 176.799 0.441 18720 739 1 2 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.766 0.724 18720 740 1 2 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.676 1.444 18720 741 1 2 . 1 1 87 87 GLN N N 87 121.690 121.690 119.643 2.047 18720 742 1 2 . 1 1 87 87 GLN C C 87 173.460 173.460 174.098 -0.638 18720 743 1 2 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.599 1.480 18720 744 1 2 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.316 -1.546 18720 745 1 2 . 1 1 88 88 SER N N 88 120.000 120.000 117.586 2.414 18720 746 1 2 . 1 1 88 88 SER C C 88 174.930 174.930 173.640 1.290 18720 747 1 2 . 1 1 88 88 SER CA C 88 57.540 57.540 58.090 -0.550 18720 748 1 2 . 1 1 88 88 SER CB C 88 63.750 63.750 63.144 0.606 18720 749 1 2 . 1 1 89 89 GLN N N 89 129.170 129.170 127.433 1.737 18720 750 1 2 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.592 1.028 18720 751 1 2 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.570 -0.070 18720 752 1 2 . 1 1 93 93 LEU C C 93 173.810 173.810 174.591 -0.781 18720 753 1 2 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.968 -0.077 18720 754 1 2 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.336 0.454 18720 755 1 2 . 1 1 94 94 LEU N N 94 125.950 125.950 127.887 -1.937 18720 756 1 2 . 1 1 94 94 LEU C C 94 175.680 175.680 174.302 1.378 18720 757 1 2 . 1 1 94 94 LEU CA C 94 54.970 54.970 54.004 0.966 18720 758 1 2 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.176 -1.896 18720 759 1 2 . 1 1 95 95 TYR N N 95 118.250 118.250 121.190 -2.940 18720 760 1 2 . 1 1 95 95 TYR C C 95 171.830 171.830 173.286 -1.456 18720 761 1 2 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.782 1.338 18720 762 1 2 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.417 0.193 18720 763 1 2 . 1 1 96 96 ARG N N 96 114.570 114.570 119.255 -4.685 18720 764 1 2 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.821 -1.621 18720 765 1 2 . 1 1 96 96 ARG CB C 96 32.980 32.980 33.343 -0.363 18720 766 1 2 . 1 1 99 99 ARG C C 99 175.470 175.470 175.389 0.081 18720 767 1 2 . 1 1 99 99 ARG CB C 99 29.380 29.380 29.435 -0.055 18720 768 1 2 . 1 1 100 100 SER N N 100 110.460 110.460 112.120 -1.660 18720 769 1 2 . 1 1 100 100 SER C C 100 173.620 173.620 173.768 -0.148 18720 770 1 2 . 1 1 100 100 SER CA C 100 59.570 59.570 59.788 -0.218 18720 771 1 2 . 1 1 100 100 SER CB C 100 62.640 62.640 62.572 0.068 18720 772 1 2 . 1 1 101 101 ARG N N 101 119.500 119.500 119.200 0.300 18720 773 1 2 . 1 1 101 101 ARG C C 101 174.900 174.900 174.850 0.050 18720 774 1 2 . 1 1 101 101 ARG CA C 101 55.510 55.510 54.338 1.172 18720 775 1 2 . 1 1 101 101 ARG CB C 101 30.470 30.470 31.456 -0.986 18720 776 1 2 . 1 1 102 102 ILE N N 102 124.730 124.730 122.461 2.269 18720 777 1 2 . 1 1 102 102 ILE C C 102 175.360 175.360 174.791 0.569 18720 778 1 2 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.717 0.953 18720 779 1 2 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.288 -0.558 18720 780 1 2 . 1 1 103 103 ARG N N 103 130.770 130.770 124.979 5.791 18720 781 1 2 . 1 1 103 103 ARG C C 103 173.480 173.480 174.264 -0.784 18720 782 1 2 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.206 0.625 18720 783 1 2 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.787 1.503 18720 784 1 2 . 1 1 104 104 GLY N N 104 128.260 128.260 107.482 20.778 18720 785 1 2 . 1 1 104 104 GLY C C 104 170.890 170.890 171.451 -0.561 18720 786 1 2 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.044 2.397 18720 787 1 2 . 1 1 105 105 PHE N N 105 118.120 118.120 117.985 0.135 18720 788 1 2 . 1 1 105 105 PHE C C 105 173.920 173.920 173.435 0.485 18720 789 1 2 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.555 -1.895 18720 790 1 2 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.775 -0.555 18720 791 1 2 . 1 1 106 106 TRP N N 106 124.290 124.290 124.206 0.084 18720 792 1 2 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.452 -0.042 18720 793 1 2 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.243 -0.363 18720 794 1 2 . 1 1 110 110 SER C C 110 175.240 175.240 176.013 -0.773 18720 795 1 2 . 1 1 110 110 SER CA C 110 62.920 62.920 61.166 1.754 18720 796 1 2 . 1 1 110 110 SER CB C 110 64.980 64.980 63.291 1.689 18720 797 1 2 . 1 1 111 111 GLU N N 111 122.310 122.310 120.613 1.697 18720 798 1 2 . 1 1 111 111 GLU C C 111 179.150 179.150 178.490 0.660 18720 799 1 2 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.122 0.418 18720 800 1 2 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.080 -0.510 18720 801 1 2 . 1 1 112 112 GLU N N 112 118.920 118.920 119.946 -1.026 18720 802 1 2 . 1 1 112 112 GLU C C 112 176.360 176.360 178.405 -2.045 18720 803 1 2 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.084 -1.004 18720 804 1 2 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.480 0.760 18720 805 1 2 . 1 1 113 113 CYS N N 113 117.090 117.090 117.461 -0.371 18720 806 1 2 . 1 1 113 113 CYS C C 113 176.110 176.110 176.294 -0.184 18720 807 1 2 . 1 1 113 113 CYS CA C 113 61.500 61.500 61.821 -0.320 18720 808 1 2 . 1 1 113 113 CYS CB C 113 26.800 26.800 25.973 0.827 18720 809 1 2 . 1 1 114 114 ASP N N 114 118.820 118.820 120.468 -1.648 18720 810 1 2 . 1 1 114 114 ASP C C 114 178.460 178.460 178.251 0.209 18720 811 1 2 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.258 0.082 18720 812 1 2 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.677 0.393 18720 813 1 2 . 1 1 115 115 ARG N N 115 120.870 120.870 119.160 1.710 18720 814 1 2 . 1 1 115 115 ARG C C 115 179.440 179.440 178.929 0.511 18720 815 1 2 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.300 0.350 18720 816 1 2 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.173 0.527 18720 817 1 2 . 1 1 116 116 ILE N N 116 119.500 119.500 119.577 -0.077 18720 818 1 2 . 1 1 116 116 ILE C C 116 177.680 177.680 178.022 -0.342 18720 819 1 2 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.300 -1.360 18720 820 1 2 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.535 -1.815 18720 821 1 2 . 1 1 117 117 SER N N 117 115.890 115.890 116.192 -0.302 18720 822 1 2 . 1 1 117 117 SER C C 117 176.720 176.720 176.790 -0.070 18720 823 1 2 . 1 1 117 117 SER CA C 117 62.630 62.630 61.858 0.773 18720 824 1 2 . 1 1 117 117 SER CB C 117 62.660 62.660 62.799 -0.139 18720 825 1 2 . 1 1 118 118 GLY N N 118 130.780 130.780 109.999 20.781 18720 826 1 2 . 1 1 118 118 GLY C C 118 176.570 176.570 175.615 0.955 18720 827 1 2 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.010 0.080 18720 828 1 2 . 1 1 119 119 LEU N N 119 124.450 124.450 122.521 1.929 18720 829 1 2 . 1 1 119 119 LEU C C 119 179.470 179.470 178.980 0.490 18720 830 1 2 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.798 0.012 18720 831 1 2 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.824 0.486 18720 832 1 2 . 1 1 120 120 VAL N N 120 119.140 119.140 119.316 -0.176 18720 833 1 2 . 1 1 120 120 VAL C C 120 177.380 177.380 177.983 -0.603 18720 834 1 2 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.699 0.731 18720 835 1 2 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.215 -0.345 18720 836 1 2 . 1 1 121 121 ASN N N 121 116.650 116.650 118.661 -2.011 18720 837 1 2 . 1 1 121 121 ASN C C 121 178.330 178.330 177.795 0.535 18720 838 1 2 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.261 0.409 18720 839 1 2 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.746 0.814 18720 840 1 2 . 1 1 122 122 GLY N N 122 129.450 129.450 108.597 20.853 18720 841 1 2 . 1 1 122 122 GLY C C 122 176.190 176.190 176.165 0.025 18720 842 1 2 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.944 -0.164 18720 843 1 2 . 1 1 123 123 LEU N N 123 121.510 121.510 121.852 -0.342 18720 844 1 2 . 1 1 123 123 LEU C C 123 179.060 179.060 178.044 1.016 18720 845 1 2 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.270 -0.880 18720 846 1 2 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.632 -0.042 18720 847 1 2 . 1 1 124 124 LEU N N 124 119.080 119.080 116.135 2.945 18720 848 1 2 . 1 1 124 124 LEU C C 124 177.880 177.880 178.944 -1.064 18720 849 1 2 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.087 -0.807 18720 850 1 2 . 1 1 124 124 LEU CB C 124 42.300 42.300 42.082 0.218 18720 851 1 2 . 1 1 125 125 LYS N N 125 118.600 118.600 115.491 3.109 18720 852 1 2 . 1 1 125 125 LYS C C 125 176.540 176.540 177.467 -0.927 18720 853 1 2 . 1 1 125 125 LYS CA C 125 56.470 56.470 57.851 -1.381 18720 854 1 2 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.638 0.092 18720 855 1 2 . 1 1 126 126 SER N N 126 116.570 116.570 117.007 -0.437 18720 856 1 2 . 1 1 126 126 SER C C 126 173.590 173.590 173.834 -0.244 18720 857 1 2 . 1 1 126 126 SER CA C 126 58.550 58.550 58.560 -0.010 18720 858 1 2 . 1 1 126 126 SER CB C 126 63.880 63.880 64.166 -0.286 18720 859 1 3 . 1 1 2 2 ALA N N 2 123.960 123.960 124.608 -0.648 18720 860 1 3 . 1 1 2 2 ALA C C 2 177.620 177.620 176.231 1.389 18720 861 1 3 . 1 1 2 2 ALA CA C 2 52.910 52.910 52.362 0.548 18720 862 1 3 . 1 1 2 2 ALA CB C 2 19.050 19.050 19.304 -0.254 18720 863 1 3 . 1 1 3 3 ASP N N 3 119.570 119.570 121.684 -2.114 18720 864 1 3 . 1 1 3 3 ASP C C 3 177.150 177.150 176.897 0.253 18720 865 1 3 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.361 1.439 18720 866 1 3 . 1 1 3 3 ASP CB C 3 41.610 41.610 42.482 -0.872 18720 867 1 3 . 1 1 4 4 GLU N N 4 123.110 123.110 121.015 2.095 18720 868 1 3 . 1 1 4 4 GLU C C 4 177.710 177.710 178.853 -1.143 18720 869 1 3 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.473 -1.083 18720 870 1 3 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.616 0.184 18720 871 1 3 . 1 1 5 5 SER N N 5 116.020 116.020 114.482 1.538 18720 872 1 3 . 1 1 5 5 SER CA C 5 60.870 60.870 61.331 -0.461 18720 873 1 3 . 1 1 5 5 SER CB C 5 62.940 62.940 62.701 0.239 18720 874 1 3 . 1 1 6 6 ILE N N 6 123.790 123.790 120.072 3.718 18720 875 1 3 . 1 1 6 6 ILE C C 6 178.180 178.180 177.794 0.386 18720 876 1 3 . 1 1 6 6 ILE CA C 6 63.670 63.670 64.100 -0.430 18720 877 1 3 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.641 1.019 18720 878 1 3 . 1 1 7 7 THR N N 7 117.450 117.450 116.526 0.924 18720 879 1 3 . 1 1 7 7 THR C C 7 176.030 176.030 176.635 -0.605 18720 880 1 3 . 1 1 7 7 THR CA C 7 66.370 66.370 67.412 -1.042 18720 881 1 3 . 1 1 7 7 THR CB C 7 68.640 68.640 68.399 0.241 18720 882 1 3 . 1 1 8 8 ARG N N 8 120.770 120.770 120.917 -0.147 18720 883 1 3 . 1 1 8 8 ARG C C 8 179.040 179.040 178.535 0.505 18720 884 1 3 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.977 -0.587 18720 885 1 3 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.940 0.050 18720 886 1 3 . 1 1 9 9 MET N N 9 119.840 119.840 118.587 1.253 18720 887 1 3 . 1 1 9 9 MET C C 9 178.760 178.760 178.350 0.410 18720 888 1 3 . 1 1 9 9 MET CA C 9 58.240 58.240 59.372 -1.132 18720 889 1 3 . 1 1 9 9 MET CB C 9 31.970 31.970 32.206 -0.236 18720 890 1 3 . 1 1 10 10 ASN N N 10 120.190 120.190 118.661 1.529 18720 891 1 3 . 1 1 10 10 ASN C C 10 176.660 176.660 177.779 -1.119 18720 892 1 3 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.012 -0.372 18720 893 1 3 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.256 0.054 18720 894 1 3 . 1 1 11 11 LEU N N 11 121.490 121.490 121.306 0.184 18720 895 1 3 . 1 1 11 11 LEU C C 11 177.690 177.690 177.893 -0.203 18720 896 1 3 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.730 -0.340 18720 897 1 3 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.568 -0.588 18720 898 1 3 . 1 1 12 12 ALA N N 12 120.380 120.380 121.717 -1.337 18720 899 1 3 . 1 1 12 12 ALA C C 12 179.910 179.910 179.382 0.528 18720 900 1 3 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.105 -0.215 18720 901 1 3 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.873 -0.313 18720 902 1 3 . 1 1 13 13 ALA N N 13 119.960 119.960 121.074 -1.114 18720 903 1 3 . 1 1 13 13 ALA C C 13 179.740 179.740 179.991 -0.251 18720 904 1 3 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.643 0.187 18720 905 1 3 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.224 -0.704 18720 906 1 3 . 1 1 14 14 ILE N N 14 118.040 118.040 119.692 -1.652 18720 907 1 3 . 1 1 14 14 ILE C C 14 178.220 178.220 177.686 0.534 18720 908 1 3 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.081 -0.721 18720 909 1 3 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.233 -0.093 18720 910 1 3 . 1 1 15 15 LYS N N 15 118.740 118.740 117.699 1.041 18720 911 1 3 . 1 1 15 15 LYS C C 15 177.440 177.440 178.879 -1.439 18720 912 1 3 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.737 -0.917 18720 913 1 3 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.920 0.970 18720 914 1 3 . 1 1 16 16 LYS N N 16 115.750 115.750 118.433 -2.683 18720 915 1 3 . 1 1 16 16 LYS C C 16 177.060 177.060 177.803 -0.743 18720 916 1 3 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.676 -0.116 18720 917 1 3 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.337 0.252 18720 918 1 3 . 1 1 17 17 ILE N N 17 115.830 115.830 115.520 0.310 18720 919 1 3 . 1 1 17 17 ILE C C 17 175.500 175.500 176.055 -0.555 18720 920 1 3 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.326 -0.886 18720 921 1 3 . 1 1 17 17 ILE CB C 17 38.960 38.960 38.862 0.098 18720 922 1 3 . 1 1 18 18 ASP N N 18 119.320 119.320 122.042 -2.722 18720 923 1 3 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.406 -0.666 18720 924 1 3 . 1 1 18 18 ASP CB C 18 40.710 40.710 42.001 -1.291 18720 925 1 3 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.150 -0.550 18720 926 1 3 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.874 0.136 18720 927 1 3 . 1 1 20 20 TYR N N 20 115.540 115.540 114.240 1.300 18720 928 1 3 . 1 1 20 20 TYR C C 20 175.350 175.350 174.140 1.210 18720 929 1 3 . 1 1 20 20 TYR CA C 20 57.810 57.810 54.862 2.948 18720 930 1 3 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.981 0.159 18720 931 1 3 . 1 1 21 21 ALA N N 21 122.720 122.720 122.765 -0.045 18720 932 1 3 . 1 1 21 21 ALA C C 21 175.410 175.410 175.879 -0.469 18720 933 1 3 . 1 1 21 21 ALA CA C 21 54.330 54.330 50.816 3.514 18720 934 1 3 . 1 1 21 21 ALA CB C 21 20.690 20.690 19.723 0.967 18720 935 1 3 . 1 1 22 22 LYS N N 22 121.370 121.370 122.699 -1.329 18720 936 1 3 . 1 1 22 22 LYS C C 22 175.400 175.400 176.329 -0.929 18720 937 1 3 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.862 -0.042 18720 938 1 3 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.505 1.355 18720 939 1 3 . 1 1 23 23 GLU N N 23 113.820 113.820 119.830 -6.010 18720 940 1 3 . 1 1 23 23 GLU C C 23 174.470 174.470 174.457 0.013 18720 941 1 3 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.003 0.327 18720 942 1 3 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.801 0.239 18720 943 1 3 . 1 1 24 24 ILE N N 24 125.650 125.650 125.039 0.611 18720 944 1 3 . 1 1 24 24 ILE C C 24 175.360 175.360 176.222 -0.862 18720 945 1 3 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.736 1.034 18720 946 1 3 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.123 -0.513 18720 947 1 3 . 1 1 25 25 VAL N N 25 127.290 127.290 125.473 1.817 18720 948 1 3 . 1 1 25 25 VAL C C 25 175.240 175.240 175.885 -0.645 18720 949 1 3 . 1 1 25 25 VAL CA C 25 63.620 63.620 63.501 0.119 18720 950 1 3 . 1 1 25 25 VAL CB C 25 33.340 33.340 33.084 0.256 18720 951 1 3 . 1 1 26 26 ASP N N 26 117.410 117.410 117.722 -0.312 18720 952 1 3 . 1 1 26 26 ASP C C 26 174.000 174.000 173.496 0.504 18720 953 1 3 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.216 -0.186 18720 954 1 3 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.135 0.575 18720 955 1 3 . 1 1 27 27 SER N N 27 115.600 115.600 117.269 -1.669 18720 956 1 3 . 1 1 27 27 SER C C 27 172.420 172.420 172.873 -0.453 18720 957 1 3 . 1 1 27 27 SER CA C 27 57.200 57.200 56.831 0.369 18720 958 1 3 . 1 1 27 27 SER CB C 27 67.230 67.230 65.831 1.399 18720 959 1 3 . 1 1 28 28 SER N N 28 113.820 113.820 120.268 -6.448 18720 960 1 3 . 1 1 28 28 SER C C 28 176.140 176.140 175.450 0.690 18720 961 1 3 . 1 1 28 28 SER CA C 28 57.840 57.840 55.778 2.062 18720 962 1 3 . 1 1 28 28 SER CB C 28 65.830 65.830 64.722 1.108 18720 963 1 3 . 1 1 29 29 SER N N 29 121.670 121.670 124.504 -2.834 18720 964 1 3 . 1 1 29 29 SER CA C 29 61.900 61.900 61.222 0.678 18720 965 1 3 . 1 1 29 29 SER CB C 29 63.720 63.720 63.556 0.164 18720 966 1 3 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.029 0.601 18720 967 1 3 . 1 1 31 31 VAL N N 31 127.450 127.450 126.061 1.389 18720 968 1 3 . 1 1 31 31 VAL C C 31 173.480 173.480 173.373 0.107 18720 969 1 3 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.969 -0.639 18720 970 1 3 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.606 -0.066 18720 971 1 3 . 1 1 32 32 ALA N N 32 125.580 125.580 126.344 -0.764 18720 972 1 3 . 1 1 32 32 ALA C C 32 175.260 175.260 175.236 0.024 18720 973 1 3 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.829 0.981 18720 974 1 3 . 1 1 32 32 ALA CB C 32 23.020 23.020 22.898 0.123 18720 975 1 3 . 1 1 33 33 PHE N N 33 123.530 123.530 122.517 1.013 18720 976 1 3 . 1 1 33 33 PHE C C 33 174.210 174.210 173.589 0.621 18720 977 1 3 . 1 1 33 33 PHE CA C 33 56.050 56.050 57.052 -1.002 18720 978 1 3 . 1 1 33 33 PHE CB C 33 41.020 41.020 42.045 -1.025 18720 979 1 3 . 1 1 34 34 TYR N N 34 130.040 130.040 125.477 4.563 18720 980 1 3 . 1 1 34 34 TYR C C 34 173.300 173.300 174.963 -1.663 18720 981 1 3 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.986 0.514 18720 982 1 3 . 1 1 34 34 TYR CB C 34 44.150 44.150 43.003 1.147 18720 983 1 3 . 1 1 35 35 THR N N 35 109.080 109.080 117.861 -8.781 18720 984 1 3 . 1 1 35 35 THR C C 35 172.150 172.150 172.737 -0.587 18720 985 1 3 . 1 1 35 35 THR CA C 35 59.670 59.670 61.821 -2.151 18720 986 1 3 . 1 1 35 35 THR CB C 35 70.820 70.820 71.562 -0.742 18720 987 1 3 . 1 1 36 36 PHE N N 36 126.090 126.090 125.050 1.040 18720 988 1 3 . 1 1 36 36 PHE C C 36 173.570 173.570 173.538 0.032 18720 989 1 3 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.130 1.780 18720 990 1 3 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.632 -2.862 18720 991 1 3 . 1 1 37 37 ASN N N 37 128.500 128.500 124.990 3.510 18720 992 1 3 . 1 1 37 37 ASN C C 37 175.280 175.280 175.242 0.038 18720 993 1 3 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.361 0.169 18720 994 1 3 . 1 1 37 37 ASN CB C 37 37.730 37.730 38.994 -1.264 18720 995 1 3 . 1 1 38 38 SER N N 38 121.880 121.880 122.311 -0.431 18720 996 1 3 . 1 1 38 38 SER CB C 38 63.050 63.050 63.215 -0.165 18720 997 1 3 . 1 1 39 39 SER C C 39 175.410 175.410 175.649 -0.239 18720 998 1 3 . 1 1 39 39 SER CA C 39 61.020 61.020 61.037 -0.017 18720 999 1 3 . 1 1 39 39 SER CB C 39 62.700 62.700 63.332 -0.632 18720 1000 1 3 . 1 1 40 40 GLN N N 40 117.370 117.370 118.325 -0.955 18720 1001 1 3 . 1 1 40 40 GLN C C 40 174.910 174.910 175.685 -0.775 18720 1002 1 3 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.654 -0.854 18720 1003 1 3 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.657 0.153 18720 1004 1 3 . 1 1 41 41 ASN N N 41 118.400 118.400 116.092 2.308 18720 1005 1 3 . 1 1 41 41 ASN C C 41 173.240 173.240 173.469 -0.229 18720 1006 1 3 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.143 0.057 18720 1007 1 3 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.681 -0.042 18720 1008 1 3 . 1 1 42 42 GLU N N 42 112.910 112.910 116.042 -3.132 18720 1009 1 3 . 1 1 42 42 GLU C C 42 174.620 174.620 174.425 0.195 18720 1010 1 3 . 1 1 42 42 GLU CA C 42 54.110 54.110 55.005 -0.895 18720 1011 1 3 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.625 0.825 18720 1012 1 3 . 1 1 43 43 TRP N N 43 123.140 123.140 120.952 2.188 18720 1013 1 3 . 1 1 43 43 TRP C C 43 175.850 175.850 176.900 -1.050 18720 1014 1 3 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.084 0.556 18720 1015 1 3 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.887 0.723 18720 1016 1 3 . 1 1 44 44 GLU N N 44 120.660 120.660 123.254 -2.594 18720 1017 1 3 . 1 1 44 44 GLU C C 44 175.030 175.030 175.522 -0.492 18720 1018 1 3 . 1 1 44 44 GLU CA C 44 55.120 55.120 55.092 0.028 18720 1019 1 3 . 1 1 44 44 GLU CB C 44 32.110 32.110 32.658 -0.548 18720 1020 1 3 . 1 1 45 45 LYS N N 45 123.100 123.100 127.158 -4.058 18720 1021 1 3 . 1 1 45 45 LYS C C 45 176.810 176.810 176.642 0.168 18720 1022 1 3 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.522 0.438 18720 1023 1 3 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.946 0.395 18720 1024 1 3 . 1 1 46 46 THR N N 46 114.570 114.570 117.444 -2.874 18720 1025 1 3 . 1 1 46 46 THR C C 46 174.130 174.130 174.478 -0.348 18720 1026 1 3 . 1 1 46 46 THR CA C 46 61.720 61.720 60.725 0.995 18720 1027 1 3 . 1 1 46 46 THR CB C 46 71.720 71.720 70.006 1.714 18720 1028 1 3 . 1 1 47 47 ASP N N 47 118.590 118.590 119.209 -0.619 18720 1029 1 3 . 1 1 47 47 ASP C C 47 174.390 174.390 175.214 -0.824 18720 1030 1 3 . 1 1 47 47 ASP CA C 47 53.910 53.910 53.862 0.048 18720 1031 1 3 . 1 1 47 47 ASP CB C 47 39.870 39.870 39.758 0.112 18720 1032 1 3 . 1 1 48 48 VAL N N 48 118.730 118.730 120.791 -2.061 18720 1033 1 3 . 1 1 48 48 VAL C C 48 174.840 174.840 173.689 1.151 18720 1034 1 3 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.578 0.782 18720 1035 1 3 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.978 0.412 18720 1036 1 3 . 1 1 49 49 GLU N N 49 127.180 127.180 128.569 -1.389 18720 1037 1 3 . 1 1 49 49 GLU C C 49 174.140 174.140 175.233 -1.093 18720 1038 1 3 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.082 0.148 18720 1039 1 3 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.433 0.437 18720 1040 1 3 . 1 1 50 50 GLY N N 50 110.640 110.640 112.171 -1.531 18720 1041 1 3 . 1 1 50 50 GLY C C 50 171.360 171.360 171.943 -0.583 18720 1042 1 3 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.047 0.673 18720 1043 1 3 . 1 1 51 51 ALA N N 51 124.800 124.800 121.887 2.913 18720 1044 1 3 . 1 1 51 51 ALA C C 51 174.220 174.220 175.765 -1.545 18720 1045 1 3 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.395 1.275 18720 1046 1 3 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.709 -0.439 18720 1047 1 3 . 1 1 52 52 PHE N N 52 123.680 123.680 125.629 -1.949 18720 1048 1 3 . 1 1 52 52 PHE C C 52 173.650 173.650 173.332 0.318 18720 1049 1 3 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.078 -0.158 18720 1050 1 3 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.231 2.469 18720 1051 1 3 . 1 1 53 53 PHE N N 53 123.690 123.690 126.484 -2.794 18720 1052 1 3 . 1 1 53 53 PHE C C 53 174.760 174.760 174.068 0.692 18720 1053 1 3 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.381 1.139 18720 1054 1 3 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.469 -0.049 18720 1055 1 3 . 1 1 54 54 ILE N N 54 119.970 119.970 121.382 -1.412 18720 1056 1 3 . 1 1 54 54 ILE C C 54 175.240 175.240 174.663 0.577 18720 1057 1 3 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.768 -1.278 18720 1058 1 3 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.346 -0.456 18720 1059 1 3 . 1 1 55 55 TYR N N 55 125.670 125.670 126.637 -0.967 18720 1060 1 3 . 1 1 55 55 TYR C C 55 170.980 170.980 175.068 -4.088 18720 1061 1 3 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.484 0.836 18720 1062 1 3 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.812 2.168 18720 1063 1 3 . 1 1 56 56 HIS N N 56 121.710 121.710 122.847 -1.137 18720 1064 1 3 . 1 1 56 56 HIS C C 56 175.000 175.000 173.628 1.372 18720 1065 1 3 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.889 -2.159 18720 1066 1 3 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.368 -0.068 18720 1067 1 3 . 1 1 57 57 ARG N N 57 126.870 126.870 123.239 3.631 18720 1068 1 3 . 1 1 57 57 ARG C C 57 174.770 174.770 174.465 0.305 18720 1069 1 3 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.256 0.774 18720 1070 1 3 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.395 1.695 18720 1071 1 3 . 1 1 58 58 ASN N N 58 115.660 115.660 121.954 -6.294 18720 1072 1 3 . 1 1 58 58 ASN C C 58 173.540 173.540 173.952 -0.412 18720 1073 1 3 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.161 -0.391 18720 1074 1 3 . 1 1 58 58 ASN CB C 58 39.180 39.180 38.068 1.112 18720 1075 1 3 . 1 1 59 59 ALA N N 59 120.190 120.190 120.887 -0.697 18720 1076 1 3 . 1 1 59 59 ALA C C 59 173.000 173.000 174.731 -1.731 18720 1077 1 3 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.836 -0.496 18720 1078 1 3 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.090 0.790 18720 1079 1 3 . 1 1 60 60 GLU N N 60 117.270 117.270 119.822 -2.552 18720 1080 1 3 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.866 -0.356 18720 1081 1 3 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.344 0.326 18720 1082 1 3 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.364 -0.304 18720 1083 1 3 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.494 1.136 18720 1084 1 3 . 1 1 62 62 PHE N N 62 120.680 120.680 119.395 1.285 18720 1085 1 3 . 1 1 62 62 PHE C C 62 174.840 174.840 175.588 -0.748 18720 1086 1 3 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.714 -0.934 18720 1087 1 3 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.728 -0.508 18720 1088 1 3 . 1 1 63 63 HIS N N 63 115.820 115.820 112.645 3.175 18720 1089 1 3 . 1 1 63 63 HIS C C 63 174.540 174.540 173.902 0.638 18720 1090 1 3 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.562 0.428 18720 1091 1 3 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.681 0.649 18720 1092 1 3 . 1 1 64 64 SER N N 64 114.040 114.040 116.579 -2.539 18720 1093 1 3 . 1 1 64 64 SER C C 64 169.620 169.620 172.149 -2.529 18720 1094 1 3 . 1 1 64 64 SER CA C 64 55.980 55.980 57.767 -1.788 18720 1095 1 3 . 1 1 64 64 SER CB C 64 66.770 66.770 65.688 1.082 18720 1096 1 3 . 1 1 65 65 ILE N N 65 125.090 125.090 123.060 2.030 18720 1097 1 3 . 1 1 65 65 ILE C C 65 174.630 174.630 173.807 0.823 18720 1098 1 3 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.455 -0.235 18720 1099 1 3 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.619 -0.029 18720 1100 1 3 . 1 1 66 66 PHE N N 66 127.730 127.730 126.671 1.059 18720 1101 1 3 . 1 1 66 66 PHE C C 66 174.680 174.680 173.006 1.674 18720 1102 1 3 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.736 -0.437 18720 1103 1 3 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.415 1.615 18720 1104 1 3 . 1 1 67 67 ILE N N 67 124.780 124.780 124.500 0.280 18720 1105 1 3 . 1 1 67 67 ILE C C 67 174.180 174.180 173.758 0.422 18720 1106 1 3 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.626 0.044 18720 1107 1 3 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.047 -0.327 18720 1108 1 3 . 1 1 68 68 ASN N N 68 124.620 124.620 125.014 -0.394 18720 1109 1 3 . 1 1 68 68 ASN C C 68 174.260 174.260 173.969 0.291 18720 1110 1 3 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.868 -0.798 18720 1111 1 3 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.616 -0.616 18720 1112 1 3 . 1 1 69 69 ASN N N 69 124.120 124.120 125.459 -1.339 18720 1113 1 3 . 1 1 69 69 ASN C C 69 175.740 175.740 175.779 -0.039 18720 1114 1 3 . 1 1 69 69 ASN CA C 69 53.200 53.200 53.047 0.153 18720 1115 1 3 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.907 0.613 18720 1116 1 3 . 1 1 70 70 ARG N N 70 123.310 123.310 128.028 -4.718 18720 1117 1 3 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.819 -1.859 18720 1118 1 3 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.608 0.452 18720 1119 1 3 . 1 1 73 73 THR C C 73 175.310 175.310 173.443 1.867 18720 1120 1 3 . 1 1 73 73 THR CA C 73 62.320 62.320 63.358 -1.038 18720 1121 1 3 . 1 1 73 73 THR CB C 73 69.070 69.070 66.523 2.547 18720 1122 1 3 . 1 1 74 74 THR N N 74 119.010 119.010 116.793 2.217 18720 1123 1 3 . 1 1 74 74 THR C C 74 173.810 173.810 173.703 0.107 18720 1124 1 3 . 1 1 74 74 THR CA C 74 62.700 62.700 61.913 0.787 18720 1125 1 3 . 1 1 74 74 THR CB C 74 69.750 69.750 72.428 -2.678 18720 1126 1 3 . 1 1 75 75 SER N N 75 120.750 120.750 120.936 -0.186 18720 1127 1 3 . 1 1 75 75 SER C C 75 172.250 172.250 173.728 -1.478 18720 1128 1 3 . 1 1 75 75 SER CA C 75 58.300 58.300 58.161 0.139 18720 1129 1 3 . 1 1 75 75 SER CB C 75 65.290 65.290 64.355 0.935 18720 1130 1 3 . 1 1 76 76 PHE N N 76 122.090 122.090 127.128 -5.038 18720 1131 1 3 . 1 1 76 76 PHE C C 76 172.040 172.040 172.667 -0.627 18720 1132 1 3 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.552 0.228 18720 1133 1 3 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.641 0.659 18720 1134 1 3 . 1 1 77 77 VAL N N 77 124.490 124.490 126.265 -1.775 18720 1135 1 3 . 1 1 77 77 VAL C C 77 174.390 174.390 173.355 1.035 18720 1136 1 3 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.726 0.014 18720 1137 1 3 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.178 0.432 18720 1138 1 3 . 1 1 78 78 GLU N N 78 125.760 125.760 126.779 -1.019 18720 1139 1 3 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.681 -0.562 18720 1140 1 3 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.227 0.563 18720 1141 1 3 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.502 0.268 18720 1142 1 3 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.668 -0.108 18720 1143 1 3 . 1 1 80 80 ILE N N 80 123.190 123.190 123.040 0.150 18720 1144 1 3 . 1 1 80 80 ILE C C 80 174.250 174.250 176.021 -1.771 18720 1145 1 3 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.418 0.002 18720 1146 1 3 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.101 -1.461 18720 1147 1 3 . 1 1 81 81 THR N N 81 115.840 115.840 117.936 -2.096 18720 1148 1 3 . 1 1 81 81 THR C C 81 174.140 174.140 176.000 -1.860 18720 1149 1 3 . 1 1 81 81 THR CA C 81 59.500 59.500 60.307 -0.807 18720 1150 1 3 . 1 1 81 81 THR CB C 81 71.030 71.030 70.976 0.054 18720 1151 1 3 . 1 1 82 82 GLY N N 82 128.890 128.890 108.772 20.118 18720 1152 1 3 . 1 1 82 82 GLY C C 82 176.630 176.630 175.222 1.408 18720 1153 1 3 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.605 0.814 18720 1154 1 3 . 1 1 83 83 SER N N 83 113.780 113.780 114.859 -1.079 18720 1155 1 3 . 1 1 83 83 SER C C 83 173.410 173.410 174.803 -1.393 18720 1156 1 3 . 1 1 83 83 SER CA C 83 57.840 57.840 58.130 -0.290 18720 1157 1 3 . 1 1 83 83 SER CB C 83 63.480 63.480 62.872 0.608 18720 1158 1 3 . 1 1 84 84 LEU N N 84 123.770 123.770 123.854 -0.084 18720 1159 1 3 . 1 1 84 84 LEU C C 84 175.350 175.350 176.517 -1.167 18720 1160 1 3 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.394 0.736 18720 1161 1 3 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.257 0.433 18720 1162 1 3 . 1 1 85 85 GLU N N 85 124.380 124.380 124.987 -0.607 18720 1163 1 3 . 1 1 85 85 GLU C C 85 174.280 174.280 174.921 -0.641 18720 1164 1 3 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.377 -0.507 18720 1165 1 3 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.149 1.271 18720 1166 1 3 . 1 1 86 86 LEU N N 86 121.400 121.400 124.645 -3.245 18720 1167 1 3 . 1 1 86 86 LEU C C 86 177.240 177.240 176.750 0.490 18720 1168 1 3 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.682 0.808 18720 1169 1 3 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.887 1.233 18720 1170 1 3 . 1 1 87 87 GLN N N 87 121.690 121.690 119.791 1.899 18720 1171 1 3 . 1 1 87 87 GLN C C 87 173.460 173.460 174.152 -0.692 18720 1172 1 3 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.640 1.440 18720 1173 1 3 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.012 -1.242 18720 1174 1 3 . 1 1 88 88 SER N N 88 120.000 120.000 118.285 1.715 18720 1175 1 3 . 1 1 88 88 SER C C 88 174.930 174.930 173.987 0.943 18720 1176 1 3 . 1 1 88 88 SER CA C 88 57.540 57.540 58.019 -0.479 18720 1177 1 3 . 1 1 88 88 SER CB C 88 63.750 63.750 63.102 0.647 18720 1178 1 3 . 1 1 89 89 GLN N N 89 129.170 129.170 127.262 1.908 18720 1179 1 3 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.512 1.108 18720 1180 1 3 . 1 1 89 89 GLN CB C 89 29.500 29.500 30.824 -1.324 18720 1181 1 3 . 1 1 93 93 LEU C C 93 173.810 173.810 174.412 -0.602 18720 1182 1 3 . 1 1 93 93 LEU CA C 93 53.890 53.890 54.121 -0.231 18720 1183 1 3 . 1 1 93 93 LEU CB C 93 45.790 45.790 44.000 1.790 18720 1184 1 3 . 1 1 94 94 LEU N N 94 125.950 125.950 127.575 -1.625 18720 1185 1 3 . 1 1 94 94 LEU C C 94 175.680 175.680 174.424 1.256 18720 1186 1 3 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.900 1.070 18720 1187 1 3 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.319 -2.039 18720 1188 1 3 . 1 1 95 95 TYR N N 95 118.250 118.250 120.722 -2.472 18720 1189 1 3 . 1 1 95 95 TYR C C 95 171.830 171.830 173.381 -1.551 18720 1190 1 3 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.471 1.649 18720 1191 1 3 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.303 0.307 18720 1192 1 3 . 1 1 96 96 ARG N N 96 114.570 114.570 119.551 -4.981 18720 1193 1 3 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.821 -1.621 18720 1194 1 3 . 1 1 96 96 ARG CB C 96 32.980 32.980 33.113 -0.133 18720 1195 1 3 . 1 1 99 99 ARG C C 99 175.470 175.470 174.900 0.570 18720 1196 1 3 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.548 0.832 18720 1197 1 3 . 1 1 100 100 SER N N 100 110.460 110.460 109.287 1.173 18720 1198 1 3 . 1 1 100 100 SER C C 100 173.620 173.620 173.746 -0.126 18720 1199 1 3 . 1 1 100 100 SER CA C 100 59.570 59.570 59.555 0.015 18720 1200 1 3 . 1 1 100 100 SER CB C 100 62.640 62.640 62.068 0.572 18720 1201 1 3 . 1 1 101 101 ARG N N 101 119.500 119.500 119.269 0.231 18720 1202 1 3 . 1 1 101 101 ARG C C 101 174.900 174.900 174.580 0.320 18720 1203 1 3 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.383 0.127 18720 1204 1 3 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.357 -1.887 18720 1205 1 3 . 1 1 102 102 ILE N N 102 124.730 124.730 122.655 2.075 18720 1206 1 3 . 1 1 102 102 ILE C C 102 175.360 175.360 174.737 0.623 18720 1207 1 3 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.554 1.116 18720 1208 1 3 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.079 -0.349 18720 1209 1 3 . 1 1 103 103 ARG N N 103 130.770 130.770 125.277 5.493 18720 1210 1 3 . 1 1 103 103 ARG C C 103 173.480 173.480 174.333 -0.853 18720 1211 1 3 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.124 0.706 18720 1212 1 3 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.792 1.498 18720 1213 1 3 . 1 1 104 104 GLY N N 104 128.260 128.260 107.557 20.703 18720 1214 1 3 . 1 1 104 104 GLY C C 104 170.890 170.890 171.370 -0.480 18720 1215 1 3 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.258 2.182 18720 1216 1 3 . 1 1 105 105 PHE N N 105 118.120 118.120 117.660 0.460 18720 1217 1 3 . 1 1 105 105 PHE C C 105 173.920 173.920 173.782 0.138 18720 1218 1 3 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.549 -1.889 18720 1219 1 3 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.636 -0.416 18720 1220 1 3 . 1 1 106 106 TRP N N 106 124.290 124.290 124.402 -0.112 18720 1221 1 3 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.657 -0.247 18720 1222 1 3 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.197 -0.317 18720 1223 1 3 . 1 1 110 110 SER C C 110 175.240 175.240 175.742 -0.502 18720 1224 1 3 . 1 1 110 110 SER CA C 110 62.920 62.920 61.329 1.591 18720 1225 1 3 . 1 1 110 110 SER CB C 110 64.980 64.980 63.288 1.692 18720 1226 1 3 . 1 1 111 111 GLU N N 111 122.310 122.310 119.514 2.796 18720 1227 1 3 . 1 1 111 111 GLU C C 111 179.150 179.150 178.299 0.851 18720 1228 1 3 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.278 0.262 18720 1229 1 3 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.239 -0.669 18720 1230 1 3 . 1 1 112 112 GLU N N 112 118.920 118.920 120.316 -1.396 18720 1231 1 3 . 1 1 112 112 GLU C C 112 176.360 176.360 178.482 -2.122 18720 1232 1 3 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.125 -1.045 18720 1233 1 3 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.519 0.721 18720 1234 1 3 . 1 1 113 113 CYS N N 113 117.090 117.090 117.490 -0.400 18720 1235 1 3 . 1 1 113 113 CYS C C 113 176.110 176.110 176.163 -0.053 18720 1236 1 3 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.602 -1.102 18720 1237 1 3 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.108 0.692 18720 1238 1 3 . 1 1 114 114 ASP N N 114 118.820 118.820 120.724 -1.904 18720 1239 1 3 . 1 1 114 114 ASP C C 114 178.460 178.460 178.312 0.148 18720 1240 1 3 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.015 0.325 18720 1241 1 3 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.657 0.413 18720 1242 1 3 . 1 1 115 115 ARG N N 115 120.870 120.870 119.016 1.854 18720 1243 1 3 . 1 1 115 115 ARG C C 115 179.440 179.440 178.789 0.651 18720 1244 1 3 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.479 0.171 18720 1245 1 3 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.091 0.609 18720 1246 1 3 . 1 1 116 116 ILE N N 116 119.500 119.500 119.457 0.043 18720 1247 1 3 . 1 1 116 116 ILE C C 116 177.680 177.680 177.971 -0.291 18720 1248 1 3 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.590 -1.650 18720 1249 1 3 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.584 -1.865 18720 1250 1 3 . 1 1 117 117 SER N N 117 115.890 115.890 115.971 -0.081 18720 1251 1 3 . 1 1 117 117 SER C C 117 176.720 176.720 176.800 -0.080 18720 1252 1 3 . 1 1 117 117 SER CA C 117 62.630 62.630 61.480 1.150 18720 1253 1 3 . 1 1 117 117 SER CB C 117 62.660 62.660 62.837 -0.177 18720 1254 1 3 . 1 1 118 118 GLY N N 118 130.780 130.780 110.608 20.172 18720 1255 1 3 . 1 1 118 118 GLY C C 118 176.570 176.570 175.864 0.706 18720 1256 1 3 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.015 0.075 18720 1257 1 3 . 1 1 119 119 LEU N N 119 124.450 124.450 122.540 1.910 18720 1258 1 3 . 1 1 119 119 LEU C C 119 179.470 179.470 178.976 0.494 18720 1259 1 3 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.799 0.011 18720 1260 1 3 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.828 0.482 18720 1261 1 3 . 1 1 120 120 VAL N N 120 119.140 119.140 119.280 -0.140 18720 1262 1 3 . 1 1 120 120 VAL C C 120 177.380 177.380 177.999 -0.619 18720 1263 1 3 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.619 0.811 18720 1264 1 3 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.177 -0.307 18720 1265 1 3 . 1 1 121 121 ASN N N 121 116.650 116.650 118.704 -2.054 18720 1266 1 3 . 1 1 121 121 ASN C C 121 178.330 178.330 177.860 0.470 18720 1267 1 3 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.238 0.432 18720 1268 1 3 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.765 0.795 18720 1269 1 3 . 1 1 122 122 GLY N N 122 129.450 129.450 108.515 20.935 18720 1270 1 3 . 1 1 122 122 GLY C C 122 176.190 176.190 175.845 0.345 18720 1271 1 3 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.910 -0.130 18720 1272 1 3 . 1 1 123 123 LEU N N 123 121.510 121.510 121.511 -0.001 18720 1273 1 3 . 1 1 123 123 LEU C C 123 179.060 179.060 178.058 1.002 18720 1274 1 3 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.339 -0.949 18720 1275 1 3 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.616 -0.026 18720 1276 1 3 . 1 1 124 124 LEU N N 124 119.080 119.080 116.325 2.755 18720 1277 1 3 . 1 1 124 124 LEU C C 124 177.880 177.880 178.633 -0.753 18720 1278 1 3 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.018 -0.738 18720 1279 1 3 . 1 1 124 124 LEU CB C 124 42.300 42.300 42.095 0.205 18720 1280 1 3 . 1 1 125 125 LYS N N 125 118.600 118.600 116.331 2.269 18720 1281 1 3 . 1 1 125 125 LYS C C 125 176.540 176.540 177.409 -0.869 18720 1282 1 3 . 1 1 125 125 LYS CA C 125 56.470 56.470 57.513 -1.043 18720 1283 1 3 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.601 0.129 18720 1284 1 3 . 1 1 126 126 SER N N 126 116.570 116.570 117.639 -1.069 18720 1285 1 3 . 1 1 126 126 SER C C 126 173.590 173.590 172.763 0.827 18720 1286 1 3 . 1 1 126 126 SER CA C 126 58.550 58.550 59.534 -0.984 18720 1287 1 3 . 1 1 126 126 SER CB C 126 63.880 63.880 63.761 0.119 18720 1288 1 4 . 1 1 2 2 ALA N N 2 123.960 123.960 122.187 1.773 18720 1289 1 4 . 1 1 2 2 ALA C C 2 177.620 177.620 175.781 1.839 18720 1290 1 4 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.376 1.534 18720 1291 1 4 . 1 1 2 2 ALA CB C 2 19.050 19.050 21.072 -2.022 18720 1292 1 4 . 1 1 3 3 ASP N N 3 119.570 119.570 119.881 -0.311 18720 1293 1 4 . 1 1 3 3 ASP C C 3 177.150 177.150 177.201 -0.051 18720 1294 1 4 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.822 0.978 18720 1295 1 4 . 1 1 3 3 ASP CB C 3 41.610 41.610 41.838 -0.228 18720 1296 1 4 . 1 1 4 4 GLU N N 4 123.110 123.110 125.786 -2.676 18720 1297 1 4 . 1 1 4 4 GLU C C 4 177.710 177.710 178.740 -1.030 18720 1298 1 4 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.301 -0.911 18720 1299 1 4 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.684 0.116 18720 1300 1 4 . 1 1 5 5 SER N N 5 116.020 116.020 114.986 1.034 18720 1301 1 4 . 1 1 5 5 SER CA C 5 60.870 60.870 61.443 -0.573 18720 1302 1 4 . 1 1 5 5 SER CB C 5 62.940 62.940 62.716 0.224 18720 1303 1 4 . 1 1 6 6 ILE N N 6 123.790 123.790 118.999 4.791 18720 1304 1 4 . 1 1 6 6 ILE C C 6 178.180 178.180 178.081 0.099 18720 1305 1 4 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.117 0.553 18720 1306 1 4 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.857 0.803 18720 1307 1 4 . 1 1 7 7 THR N N 7 117.450 117.450 116.315 1.135 18720 1308 1 4 . 1 1 7 7 THR C C 7 176.030 176.030 176.487 -0.457 18720 1309 1 4 . 1 1 7 7 THR CA C 7 66.370 66.370 67.169 -0.799 18720 1310 1 4 . 1 1 7 7 THR CB C 7 68.640 68.640 68.431 0.209 18720 1311 1 4 . 1 1 8 8 ARG N N 8 120.770 120.770 121.891 -1.121 18720 1312 1 4 . 1 1 8 8 ARG C C 8 179.040 179.040 178.533 0.507 18720 1313 1 4 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.571 -0.181 18720 1314 1 4 . 1 1 8 8 ARG CB C 8 29.990 29.990 30.151 -0.161 18720 1315 1 4 . 1 1 9 9 MET N N 9 119.840 119.840 118.146 1.694 18720 1316 1 4 . 1 1 9 9 MET C C 9 178.760 178.760 178.464 0.296 18720 1317 1 4 . 1 1 9 9 MET CA C 9 58.240 58.240 59.431 -1.191 18720 1318 1 4 . 1 1 9 9 MET CB C 9 31.970 31.970 32.242 -0.272 18720 1319 1 4 . 1 1 10 10 ASN N N 10 120.190 120.190 118.649 1.541 18720 1320 1 4 . 1 1 10 10 ASN C C 10 176.660 176.660 177.783 -1.123 18720 1321 1 4 . 1 1 10 10 ASN CA C 10 55.640 55.640 55.994 -0.354 18720 1322 1 4 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.219 0.091 18720 1323 1 4 . 1 1 11 11 LEU N N 11 121.490 121.490 121.204 0.286 18720 1324 1 4 . 1 1 11 11 LEU C C 11 177.690 177.690 177.947 -0.257 18720 1325 1 4 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.832 -0.442 18720 1326 1 4 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.514 -0.534 18720 1327 1 4 . 1 1 12 12 ALA N N 12 120.380 120.380 121.577 -1.197 18720 1328 1 4 . 1 1 12 12 ALA C C 12 179.910 179.910 179.456 0.454 18720 1329 1 4 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.122 -0.232 18720 1330 1 4 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.926 -0.366 18720 1331 1 4 . 1 1 13 13 ALA N N 13 119.960 119.960 121.041 -1.081 18720 1332 1 4 . 1 1 13 13 ALA C C 13 179.740 179.740 179.999 -0.259 18720 1333 1 4 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.634 0.196 18720 1334 1 4 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.261 -0.741 18720 1335 1 4 . 1 1 14 14 ILE N N 14 118.040 118.040 119.840 -1.800 18720 1336 1 4 . 1 1 14 14 ILE C C 14 178.220 178.220 177.747 0.473 18720 1337 1 4 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.146 -0.786 18720 1338 1 4 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.302 -0.162 18720 1339 1 4 . 1 1 15 15 LYS N N 15 118.740 118.740 117.761 0.979 18720 1340 1 4 . 1 1 15 15 LYS C C 15 177.440 177.440 178.747 -1.307 18720 1341 1 4 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.697 -0.877 18720 1342 1 4 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.893 0.997 18720 1343 1 4 . 1 1 16 16 LYS N N 16 115.750 115.750 118.154 -2.404 18720 1344 1 4 . 1 1 16 16 LYS C C 16 177.060 177.060 177.724 -0.664 18720 1345 1 4 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.682 -0.122 18720 1346 1 4 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.457 0.133 18720 1347 1 4 . 1 1 17 17 ILE N N 17 115.830 115.830 116.365 -0.535 18720 1348 1 4 . 1 1 17 17 ILE C C 17 175.500 175.500 176.369 -0.869 18720 1349 1 4 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.455 -1.015 18720 1350 1 4 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.298 -0.338 18720 1351 1 4 . 1 1 18 18 ASP N N 18 119.320 119.320 121.634 -2.314 18720 1352 1 4 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.368 -0.628 18720 1353 1 4 . 1 1 18 18 ASP CB C 18 40.710 40.710 41.875 -1.165 18720 1354 1 4 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.192 -0.592 18720 1355 1 4 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.723 0.287 18720 1356 1 4 . 1 1 20 20 TYR N N 20 115.540 115.540 114.722 0.818 18720 1357 1 4 . 1 1 20 20 TYR C C 20 175.350 175.350 174.494 0.856 18720 1358 1 4 . 1 1 20 20 TYR CA C 20 57.810 57.810 54.899 2.911 18720 1359 1 4 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.667 0.473 18720 1360 1 4 . 1 1 21 21 ALA N N 21 122.720 122.720 123.052 -0.332 18720 1361 1 4 . 1 1 21 21 ALA C C 21 175.410 175.410 176.447 -1.037 18720 1362 1 4 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.260 3.070 18720 1363 1 4 . 1 1 21 21 ALA CB C 21 20.690 20.690 19.271 1.419 18720 1364 1 4 . 1 1 22 22 LYS N N 22 121.370 121.370 123.309 -1.939 18720 1365 1 4 . 1 1 22 22 LYS C C 22 175.400 175.400 176.804 -1.404 18720 1366 1 4 . 1 1 22 22 LYS CA C 22 56.820 56.820 57.292 -0.472 18720 1367 1 4 . 1 1 22 22 LYS CB C 22 35.860 35.860 33.799 2.061 18720 1368 1 4 . 1 1 23 23 GLU N N 23 113.820 113.820 117.566 -3.746 18720 1369 1 4 . 1 1 23 23 GLU C C 23 174.470 174.470 174.602 -0.132 18720 1370 1 4 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.122 0.208 18720 1371 1 4 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.708 0.332 18720 1372 1 4 . 1 1 24 24 ILE N N 24 125.650 125.650 121.687 3.963 18720 1373 1 4 . 1 1 24 24 ILE C C 24 175.360 175.360 176.526 -1.166 18720 1374 1 4 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.712 1.058 18720 1375 1 4 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.262 -0.652 18720 1376 1 4 . 1 1 25 25 VAL N N 25 127.290 127.290 126.884 0.406 18720 1377 1 4 . 1 1 25 25 VAL C C 25 175.240 175.240 175.704 -0.464 18720 1378 1 4 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.247 -0.627 18720 1379 1 4 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.840 0.500 18720 1380 1 4 . 1 1 26 26 ASP N N 26 117.410 117.410 116.863 0.547 18720 1381 1 4 . 1 1 26 26 ASP C C 26 174.000 174.000 174.063 -0.063 18720 1382 1 4 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.377 -0.347 18720 1383 1 4 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.277 0.433 18720 1384 1 4 . 1 1 27 27 SER N N 27 115.600 115.600 116.664 -1.064 18720 1385 1 4 . 1 1 27 27 SER C C 27 172.420 172.420 172.559 -0.139 18720 1386 1 4 . 1 1 27 27 SER CA C 27 57.200 57.200 56.947 0.253 18720 1387 1 4 . 1 1 27 27 SER CB C 27 67.230 67.230 65.673 1.557 18720 1388 1 4 . 1 1 28 28 SER N N 28 113.820 113.820 118.807 -4.987 18720 1389 1 4 . 1 1 28 28 SER C C 28 176.140 176.140 175.855 0.285 18720 1390 1 4 . 1 1 28 28 SER CA C 28 57.840 57.840 55.989 1.851 18720 1391 1 4 . 1 1 28 28 SER CB C 28 65.830 65.830 64.968 0.862 18720 1392 1 4 . 1 1 29 29 SER N N 29 121.670 121.670 125.372 -3.702 18720 1393 1 4 . 1 1 29 29 SER CA C 29 61.900 61.900 61.416 0.484 18720 1394 1 4 . 1 1 29 29 SER CB C 29 63.720 63.720 63.579 0.141 18720 1395 1 4 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.005 0.625 18720 1396 1 4 . 1 1 31 31 VAL N N 31 127.450 127.450 126.263 1.187 18720 1397 1 4 . 1 1 31 31 VAL C C 31 173.480 173.480 173.412 0.068 18720 1398 1 4 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.987 -0.657 18720 1399 1 4 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.369 0.171 18720 1400 1 4 . 1 1 32 32 ALA N N 32 125.580 125.580 127.220 -1.640 18720 1401 1 4 . 1 1 32 32 ALA C C 32 175.260 175.260 175.231 0.029 18720 1402 1 4 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.782 1.028 18720 1403 1 4 . 1 1 32 32 ALA CB C 32 23.020 23.020 22.925 0.094 18720 1404 1 4 . 1 1 33 33 PHE N N 33 123.530 123.530 122.669 0.861 18720 1405 1 4 . 1 1 33 33 PHE C C 33 174.210 174.210 173.681 0.529 18720 1406 1 4 . 1 1 33 33 PHE CA C 33 56.050 56.050 56.967 -0.917 18720 1407 1 4 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.681 -0.661 18720 1408 1 4 . 1 1 34 34 TYR N N 34 130.040 130.040 126.443 3.597 18720 1409 1 4 . 1 1 34 34 TYR C C 34 173.300 173.300 174.996 -1.696 18720 1410 1 4 . 1 1 34 34 TYR CA C 34 57.500 57.500 57.152 0.348 18720 1411 1 4 . 1 1 34 34 TYR CB C 34 44.150 44.150 43.022 1.128 18720 1412 1 4 . 1 1 35 35 THR N N 35 109.080 109.080 118.275 -9.195 18720 1413 1 4 . 1 1 35 35 THR C C 35 172.150 172.150 172.603 -0.453 18720 1414 1 4 . 1 1 35 35 THR CA C 35 59.670 59.670 61.491 -1.821 18720 1415 1 4 . 1 1 35 35 THR CB C 35 70.820 70.820 71.591 -0.771 18720 1416 1 4 . 1 1 36 36 PHE N N 36 126.090 126.090 125.487 0.603 18720 1417 1 4 . 1 1 36 36 PHE C C 36 173.570 173.570 173.663 -0.093 18720 1418 1 4 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.241 1.669 18720 1419 1 4 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.348 -2.578 18720 1420 1 4 . 1 1 37 37 ASN N N 37 128.500 128.500 125.312 3.188 18720 1421 1 4 . 1 1 37 37 ASN C C 37 175.280 175.280 175.154 0.126 18720 1422 1 4 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.492 0.038 18720 1423 1 4 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.767 -2.037 18720 1424 1 4 . 1 1 38 38 SER N N 38 121.880 121.880 122.588 -0.708 18720 1425 1 4 . 1 1 38 38 SER CB C 38 63.050 63.050 63.061 -0.011 18720 1426 1 4 . 1 1 39 39 SER C C 39 175.410 175.410 175.781 -0.371 18720 1427 1 4 . 1 1 39 39 SER CA C 39 61.020 61.020 61.068 -0.048 18720 1428 1 4 . 1 1 39 39 SER CB C 39 62.700 62.700 63.340 -0.639 18720 1429 1 4 . 1 1 40 40 GLN N N 40 117.370 117.370 118.751 -1.381 18720 1430 1 4 . 1 1 40 40 GLN C C 40 174.910 174.910 175.657 -0.747 18720 1431 1 4 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.680 -0.880 18720 1432 1 4 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.517 0.293 18720 1433 1 4 . 1 1 41 41 ASN N N 41 118.400 118.400 116.047 2.353 18720 1434 1 4 . 1 1 41 41 ASN C C 41 173.240 173.240 173.450 -0.210 18720 1435 1 4 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.161 0.039 18720 1436 1 4 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.678 -0.038 18720 1437 1 4 . 1 1 42 42 GLU N N 42 112.910 112.910 115.856 -2.946 18720 1438 1 4 . 1 1 42 42 GLU C C 42 174.620 174.620 174.328 0.292 18720 1439 1 4 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.961 -0.851 18720 1440 1 4 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.618 0.832 18720 1441 1 4 . 1 1 43 43 TRP N N 43 123.140 123.140 120.625 2.515 18720 1442 1 4 . 1 1 43 43 TRP C C 43 175.850 175.850 176.828 -0.978 18720 1443 1 4 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.168 0.472 18720 1444 1 4 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.955 0.655 18720 1445 1 4 . 1 1 44 44 GLU N N 44 120.660 120.660 123.115 -2.455 18720 1446 1 4 . 1 1 44 44 GLU C C 44 175.030 175.030 175.642 -0.612 18720 1447 1 4 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.503 0.617 18720 1448 1 4 . 1 1 44 44 GLU CB C 44 32.110 32.110 32.682 -0.572 18720 1449 1 4 . 1 1 45 45 LYS N N 45 123.100 123.100 124.559 -1.459 18720 1450 1 4 . 1 1 45 45 LYS C C 45 176.810 176.810 176.459 0.351 18720 1451 1 4 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.135 0.825 18720 1452 1 4 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.690 0.650 18720 1453 1 4 . 1 1 46 46 THR N N 46 114.570 114.570 116.804 -2.234 18720 1454 1 4 . 1 1 46 46 THR C C 46 174.130 174.130 174.598 -0.468 18720 1455 1 4 . 1 1 46 46 THR CA C 46 61.720 61.720 60.907 0.813 18720 1456 1 4 . 1 1 46 46 THR CB C 46 71.720 71.720 69.708 2.012 18720 1457 1 4 . 1 1 47 47 ASP N N 47 118.590 118.590 119.529 -0.939 18720 1458 1 4 . 1 1 47 47 ASP C C 47 174.390 174.390 175.631 -1.241 18720 1459 1 4 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.679 -0.769 18720 1460 1 4 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.500 -0.630 18720 1461 1 4 . 1 1 48 48 VAL N N 48 118.730 118.730 121.245 -2.515 18720 1462 1 4 . 1 1 48 48 VAL C C 48 174.840 174.840 173.727 1.113 18720 1463 1 4 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.576 0.784 18720 1464 1 4 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.682 0.708 18720 1465 1 4 . 1 1 49 49 GLU N N 49 127.180 127.180 128.636 -1.456 18720 1466 1 4 . 1 1 49 49 GLU C C 49 174.140 174.140 175.154 -1.014 18720 1467 1 4 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.157 0.073 18720 1468 1 4 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.550 0.320 18720 1469 1 4 . 1 1 50 50 GLY N N 50 110.640 110.640 112.128 -1.488 18720 1470 1 4 . 1 1 50 50 GLY C C 50 171.360 171.360 171.853 -0.493 18720 1471 1 4 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.039 0.681 18720 1472 1 4 . 1 1 51 51 ALA N N 51 124.800 124.800 121.645 3.155 18720 1473 1 4 . 1 1 51 51 ALA C C 51 174.220 174.220 175.663 -1.443 18720 1474 1 4 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.049 1.621 18720 1475 1 4 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.602 -0.333 18720 1476 1 4 . 1 1 52 52 PHE N N 52 123.680 123.680 125.515 -1.835 18720 1477 1 4 . 1 1 52 52 PHE C C 52 173.650 173.650 173.369 0.281 18720 1478 1 4 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.310 -0.390 18720 1479 1 4 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.352 2.348 18720 1480 1 4 . 1 1 53 53 PHE N N 53 123.690 123.690 126.213 -2.523 18720 1481 1 4 . 1 1 53 53 PHE C C 53 174.760 174.760 174.079 0.681 18720 1482 1 4 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.604 0.916 18720 1483 1 4 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.674 -0.254 18720 1484 1 4 . 1 1 54 54 ILE N N 54 119.970 119.970 121.327 -1.357 18720 1485 1 4 . 1 1 54 54 ILE C C 54 175.240 175.240 174.726 0.514 18720 1486 1 4 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.861 -1.371 18720 1487 1 4 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.505 -0.615 18720 1488 1 4 . 1 1 55 55 TYR N N 55 125.670 125.670 126.676 -1.006 18720 1489 1 4 . 1 1 55 55 TYR C C 55 170.980 170.980 174.872 -3.892 18720 1490 1 4 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.503 0.817 18720 1491 1 4 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.830 2.150 18720 1492 1 4 . 1 1 56 56 HIS N N 56 121.710 121.710 122.817 -1.107 18720 1493 1 4 . 1 1 56 56 HIS C C 56 175.000 175.000 173.407 1.593 18720 1494 1 4 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.692 -1.962 18720 1495 1 4 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.461 -0.161 18720 1496 1 4 . 1 1 57 57 ARG N N 57 126.870 126.870 124.807 2.063 18720 1497 1 4 . 1 1 57 57 ARG C C 57 174.770 174.770 173.955 0.815 18720 1498 1 4 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.969 0.061 18720 1499 1 4 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.657 1.433 18720 1500 1 4 . 1 1 58 58 ASN N N 58 115.660 115.660 121.755 -6.095 18720 1501 1 4 . 1 1 58 58 ASN C C 58 173.540 173.540 174.267 -0.727 18720 1502 1 4 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.687 -0.917 18720 1503 1 4 . 1 1 58 58 ASN CB C 58 39.180 39.180 38.181 0.999 18720 1504 1 4 . 1 1 59 59 ALA N N 59 120.190 120.190 120.630 -0.440 18720 1505 1 4 . 1 1 59 59 ALA C C 59 173.000 173.000 174.639 -1.639 18720 1506 1 4 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.806 -0.466 18720 1507 1 4 . 1 1 59 59 ALA CB C 59 21.880 21.880 20.941 0.939 18720 1508 1 4 . 1 1 60 60 GLU N N 60 117.270 117.270 118.972 -1.702 18720 1509 1 4 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.570 -0.060 18720 1510 1 4 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.042 0.628 18720 1511 1 4 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.517 -0.457 18720 1512 1 4 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.153 1.477 18720 1513 1 4 . 1 1 62 62 PHE N N 62 120.680 120.680 119.582 1.098 18720 1514 1 4 . 1 1 62 62 PHE C C 62 174.840 174.840 175.675 -0.835 18720 1515 1 4 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.610 -0.830 18720 1516 1 4 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.794 -0.574 18720 1517 1 4 . 1 1 63 63 HIS N N 63 115.820 115.820 112.966 2.854 18720 1518 1 4 . 1 1 63 63 HIS C C 63 174.540 174.540 173.984 0.556 18720 1519 1 4 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.489 0.501 18720 1520 1 4 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.426 0.904 18720 1521 1 4 . 1 1 64 64 SER N N 64 114.040 114.040 116.681 -2.641 18720 1522 1 4 . 1 1 64 64 SER C C 64 169.620 169.620 172.172 -2.552 18720 1523 1 4 . 1 1 64 64 SER CA C 64 55.980 55.980 57.885 -1.905 18720 1524 1 4 . 1 1 64 64 SER CB C 64 66.770 66.770 65.672 1.098 18720 1525 1 4 . 1 1 65 65 ILE N N 65 125.090 125.090 122.942 2.148 18720 1526 1 4 . 1 1 65 65 ILE C C 65 174.630 174.630 173.868 0.762 18720 1527 1 4 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.575 -0.355 18720 1528 1 4 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.431 0.159 18720 1529 1 4 . 1 1 66 66 PHE N N 66 127.730 127.730 126.511 1.219 18720 1530 1 4 . 1 1 66 66 PHE C C 66 174.680 174.680 172.955 1.725 18720 1531 1 4 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.672 -0.372 18720 1532 1 4 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.127 1.903 18720 1533 1 4 . 1 1 67 67 ILE N N 67 124.780 124.780 124.444 0.336 18720 1534 1 4 . 1 1 67 67 ILE C C 67 174.180 174.180 173.635 0.545 18720 1535 1 4 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.637 0.033 18720 1536 1 4 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.427 -0.707 18720 1537 1 4 . 1 1 68 68 ASN N N 68 124.620 124.620 124.827 -0.207 18720 1538 1 4 . 1 1 68 68 ASN C C 68 174.260 174.260 173.914 0.346 18720 1539 1 4 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.795 -0.725 18720 1540 1 4 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.671 -0.671 18720 1541 1 4 . 1 1 69 69 ASN N N 69 124.120 124.120 125.492 -1.372 18720 1542 1 4 . 1 1 69 69 ASN C C 69 175.740 175.740 175.727 0.013 18720 1543 1 4 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.983 0.217 18720 1544 1 4 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.906 0.614 18720 1545 1 4 . 1 1 70 70 ARG N N 70 123.310 123.310 128.047 -4.737 18720 1546 1 4 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.941 -1.981 18720 1547 1 4 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.579 0.481 18720 1548 1 4 . 1 1 73 73 THR C C 73 175.310 175.310 173.104 2.206 18720 1549 1 4 . 1 1 73 73 THR CA C 73 62.320 62.320 63.952 -1.632 18720 1550 1 4 . 1 1 73 73 THR CB C 73 69.070 69.070 66.816 2.254 18720 1551 1 4 . 1 1 74 74 THR N N 74 119.010 119.010 117.049 1.961 18720 1552 1 4 . 1 1 74 74 THR C C 74 173.810 173.810 173.385 0.425 18720 1553 1 4 . 1 1 74 74 THR CA C 74 62.700 62.700 61.020 1.680 18720 1554 1 4 . 1 1 74 74 THR CB C 74 69.750 69.750 71.448 -1.698 18720 1555 1 4 . 1 1 75 75 SER N N 75 120.750 120.750 120.656 0.094 18720 1556 1 4 . 1 1 75 75 SER C C 75 172.250 172.250 173.554 -1.304 18720 1557 1 4 . 1 1 75 75 SER CA C 75 58.300 58.300 58.172 0.128 18720 1558 1 4 . 1 1 75 75 SER CB C 75 65.290 65.290 64.092 1.198 18720 1559 1 4 . 1 1 76 76 PHE N N 76 122.090 122.090 127.039 -4.949 18720 1560 1 4 . 1 1 76 76 PHE C C 76 172.040 172.040 172.919 -0.879 18720 1561 1 4 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.251 0.529 18720 1562 1 4 . 1 1 76 76 PHE CB C 76 43.300 43.300 41.472 1.828 18720 1563 1 4 . 1 1 77 77 VAL N N 77 124.490 124.490 125.746 -1.256 18720 1564 1 4 . 1 1 77 77 VAL C C 77 174.390 174.390 174.567 -0.177 18720 1565 1 4 . 1 1 77 77 VAL CA C 77 59.740 59.740 60.276 -0.536 18720 1566 1 4 . 1 1 77 77 VAL CB C 77 35.610 35.610 34.887 0.723 18720 1567 1 4 . 1 1 78 78 GLU N N 78 125.760 125.760 125.856 -0.096 18720 1568 1 4 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.987 -0.867 18720 1569 1 4 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.408 0.382 18720 1570 1 4 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.455 0.315 18720 1571 1 4 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.665 -0.105 18720 1572 1 4 . 1 1 80 80 ILE N N 80 123.190 123.190 123.182 0.008 18720 1573 1 4 . 1 1 80 80 ILE C C 80 174.250 174.250 175.724 -1.474 18720 1574 1 4 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.610 -0.190 18720 1575 1 4 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.715 -2.075 18720 1576 1 4 . 1 1 81 81 THR N N 81 115.840 115.840 118.263 -2.423 18720 1577 1 4 . 1 1 81 81 THR C C 81 174.140 174.140 175.263 -1.123 18720 1578 1 4 . 1 1 81 81 THR CA C 81 59.500 59.500 60.546 -1.046 18720 1579 1 4 . 1 1 81 81 THR CB C 81 71.030 71.030 71.809 -0.779 18720 1580 1 4 . 1 1 82 82 GLY N N 82 128.890 128.890 109.360 19.530 18720 1581 1 4 . 1 1 82 82 GLY C C 82 176.630 176.630 174.448 2.182 18720 1582 1 4 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.249 1.171 18720 1583 1 4 . 1 1 83 83 SER N N 83 113.780 113.780 115.946 -2.166 18720 1584 1 4 . 1 1 83 83 SER C C 83 173.410 173.410 175.050 -1.640 18720 1585 1 4 . 1 1 83 83 SER CA C 83 57.840 57.840 58.331 -0.491 18720 1586 1 4 . 1 1 83 83 SER CB C 83 63.480 63.480 64.206 -0.726 18720 1587 1 4 . 1 1 84 84 LEU N N 84 123.770 123.770 122.940 0.830 18720 1588 1 4 . 1 1 84 84 LEU C C 84 175.350 175.350 176.296 -0.946 18720 1589 1 4 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.288 0.842 18720 1590 1 4 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.571 0.119 18720 1591 1 4 . 1 1 85 85 GLU N N 85 124.380 124.380 123.081 1.299 18720 1592 1 4 . 1 1 85 85 GLU C C 85 174.280 174.280 174.846 -0.566 18720 1593 1 4 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.334 -0.464 18720 1594 1 4 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.300 1.120 18720 1595 1 4 . 1 1 86 86 LEU N N 86 121.400 121.400 124.448 -3.048 18720 1596 1 4 . 1 1 86 86 LEU C C 86 177.240 177.240 176.832 0.408 18720 1597 1 4 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.805 0.685 18720 1598 1 4 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.519 1.601 18720 1599 1 4 . 1 1 87 87 GLN N N 87 121.690 121.690 119.391 2.299 18720 1600 1 4 . 1 1 87 87 GLN C C 87 173.460 173.460 173.955 -0.495 18720 1601 1 4 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.768 1.312 18720 1602 1 4 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.047 -1.278 18720 1603 1 4 . 1 1 88 88 SER N N 88 120.000 120.000 117.440 2.560 18720 1604 1 4 . 1 1 88 88 SER C C 88 174.930 174.930 173.964 0.966 18720 1605 1 4 . 1 1 88 88 SER CA C 88 57.540 57.540 57.490 0.050 18720 1606 1 4 . 1 1 88 88 SER CB C 88 63.750 63.750 63.291 0.459 18720 1607 1 4 . 1 1 89 89 GLN N N 89 129.170 129.170 127.442 1.728 18720 1608 1 4 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.638 0.982 18720 1609 1 4 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.866 -0.366 18720 1610 1 4 . 1 1 93 93 LEU C C 93 173.810 173.810 174.338 -0.528 18720 1611 1 4 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.703 0.187 18720 1612 1 4 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.140 0.650 18720 1613 1 4 . 1 1 94 94 LEU N N 94 125.950 125.950 127.704 -1.754 18720 1614 1 4 . 1 1 94 94 LEU C C 94 175.680 175.680 174.324 1.356 18720 1615 1 4 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.983 0.987 18720 1616 1 4 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.204 -1.924 18720 1617 1 4 . 1 1 95 95 TYR N N 95 118.250 118.250 121.120 -2.870 18720 1618 1 4 . 1 1 95 95 TYR C C 95 171.830 171.830 173.456 -1.626 18720 1619 1 4 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.374 1.746 18720 1620 1 4 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.197 0.413 18720 1621 1 4 . 1 1 96 96 ARG N N 96 114.570 114.570 119.168 -4.598 18720 1622 1 4 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.979 -1.779 18720 1623 1 4 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.840 0.140 18720 1624 1 4 . 1 1 99 99 ARG C C 99 175.470 175.470 175.882 -0.412 18720 1625 1 4 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.243 1.137 18720 1626 1 4 . 1 1 100 100 SER N N 100 110.460 110.460 111.492 -1.032 18720 1627 1 4 . 1 1 100 100 SER C C 100 173.620 173.620 173.624 -0.004 18720 1628 1 4 . 1 1 100 100 SER CA C 100 59.570 59.570 59.541 0.029 18720 1629 1 4 . 1 1 100 100 SER CB C 100 62.640 62.640 62.538 0.102 18720 1630 1 4 . 1 1 101 101 ARG N N 101 119.500 119.500 119.346 0.154 18720 1631 1 4 . 1 1 101 101 ARG C C 101 174.900 174.900 174.645 0.255 18720 1632 1 4 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.376 0.134 18720 1633 1 4 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.348 -1.878 18720 1634 1 4 . 1 1 102 102 ILE N N 102 124.730 124.730 121.926 2.804 18720 1635 1 4 . 1 1 102 102 ILE C C 102 175.360 175.360 174.725 0.635 18720 1636 1 4 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.576 1.094 18720 1637 1 4 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.097 -0.367 18720 1638 1 4 . 1 1 103 103 ARG N N 103 130.770 130.770 125.113 5.657 18720 1639 1 4 . 1 1 103 103 ARG C C 103 173.480 173.480 174.246 -0.766 18720 1640 1 4 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.129 0.701 18720 1641 1 4 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.754 1.536 18720 1642 1 4 . 1 1 104 104 GLY N N 104 128.260 128.260 107.532 20.728 18720 1643 1 4 . 1 1 104 104 GLY C C 104 170.890 170.890 171.478 -0.588 18720 1644 1 4 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.455 1.985 18720 1645 1 4 . 1 1 105 105 PHE N N 105 118.120 118.120 117.648 0.472 18720 1646 1 4 . 1 1 105 105 PHE C C 105 173.920 173.920 173.712 0.208 18720 1647 1 4 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.529 -1.869 18720 1648 1 4 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.652 -0.432 18720 1649 1 4 . 1 1 106 106 TRP N N 106 124.290 124.290 124.062 0.228 18720 1650 1 4 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.733 -0.322 18720 1651 1 4 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.171 -0.291 18720 1652 1 4 . 1 1 110 110 SER C C 110 175.240 175.240 175.786 -0.546 18720 1653 1 4 . 1 1 110 110 SER CA C 110 62.920 62.920 61.460 1.460 18720 1654 1 4 . 1 1 110 110 SER CB C 110 64.980 64.980 63.333 1.647 18720 1655 1 4 . 1 1 111 111 GLU N N 111 122.310 122.310 119.510 2.800 18720 1656 1 4 . 1 1 111 111 GLU C C 111 179.150 179.150 178.350 0.800 18720 1657 1 4 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.331 0.209 18720 1658 1 4 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.262 -0.692 18720 1659 1 4 . 1 1 112 112 GLU N N 112 118.920 118.920 119.913 -0.993 18720 1660 1 4 . 1 1 112 112 GLU C C 112 176.360 176.360 178.395 -2.035 18720 1661 1 4 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.069 -0.989 18720 1662 1 4 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.455 0.785 18720 1663 1 4 . 1 1 113 113 CYS N N 113 117.090 117.090 117.391 -0.301 18720 1664 1 4 . 1 1 113 113 CYS C C 113 176.110 176.110 176.284 -0.174 18720 1665 1 4 . 1 1 113 113 CYS CA C 113 61.500 61.500 61.700 -0.200 18720 1666 1 4 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.151 0.649 18720 1667 1 4 . 1 1 114 114 ASP N N 114 118.820 118.820 120.734 -1.914 18720 1668 1 4 . 1 1 114 114 ASP C C 114 178.460 178.460 178.505 -0.045 18720 1669 1 4 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.474 -0.134 18720 1670 1 4 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.192 0.878 18720 1671 1 4 . 1 1 115 115 ARG N N 115 120.870 120.870 120.030 0.840 18720 1672 1 4 . 1 1 115 115 ARG C C 115 179.440 179.440 178.385 1.055 18720 1673 1 4 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.354 0.296 18720 1674 1 4 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.048 0.652 18720 1675 1 4 . 1 1 116 116 ILE N N 116 119.500 119.500 118.802 0.698 18720 1676 1 4 . 1 1 116 116 ILE C C 116 177.680 177.680 177.900 -0.220 18720 1677 1 4 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.942 -2.002 18720 1678 1 4 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.576 -1.856 18720 1679 1 4 . 1 1 117 117 SER N N 117 115.890 115.890 115.866 0.024 18720 1680 1 4 . 1 1 117 117 SER C C 117 176.720 176.720 176.868 -0.148 18720 1681 1 4 . 1 1 117 117 SER CA C 117 62.630 62.630 62.011 0.619 18720 1682 1 4 . 1 1 117 117 SER CB C 117 62.660 62.660 62.608 0.052 18720 1683 1 4 . 1 1 118 118 GLY N N 118 130.780 130.780 110.669 20.111 18720 1684 1 4 . 1 1 118 118 GLY C C 118 176.570 176.570 175.867 0.703 18720 1685 1 4 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.085 0.005 18720 1686 1 4 . 1 1 119 119 LEU N N 119 124.450 124.450 122.542 1.908 18720 1687 1 4 . 1 1 119 119 LEU C C 119 179.470 179.470 179.031 0.439 18720 1688 1 4 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.873 -0.063 18720 1689 1 4 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.821 0.489 18720 1690 1 4 . 1 1 120 120 VAL N N 120 119.140 119.140 119.253 -0.113 18720 1691 1 4 . 1 1 120 120 VAL C C 120 177.380 177.380 178.259 -0.879 18720 1692 1 4 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.502 0.928 18720 1693 1 4 . 1 1 120 120 VAL CB C 120 30.870 30.870 30.856 0.014 18720 1694 1 4 . 1 1 121 121 ASN N N 121 116.650 116.650 118.487 -1.837 18720 1695 1 4 . 1 1 121 121 ASN C C 121 178.330 178.330 177.905 0.425 18720 1696 1 4 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.233 0.437 18720 1697 1 4 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.748 0.812 18720 1698 1 4 . 1 1 122 122 GLY N N 122 129.450 129.450 108.614 20.836 18720 1699 1 4 . 1 1 122 122 GLY C C 122 176.190 176.190 175.852 0.338 18720 1700 1 4 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.842 -0.062 18720 1701 1 4 . 1 1 123 123 LEU N N 123 121.510 121.510 121.862 -0.352 18720 1702 1 4 . 1 1 123 123 LEU C C 123 179.060 179.060 179.677 -0.617 18720 1703 1 4 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.428 -1.038 18720 1704 1 4 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.529 0.061 18720 1705 1 4 . 1 1 124 124 LEU N N 124 119.080 119.080 117.546 1.534 18720 1706 1 4 . 1 1 124 124 LEU C C 124 177.880 177.880 178.154 -0.274 18720 1707 1 4 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.375 -1.095 18720 1708 1 4 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.753 0.547 18720 1709 1 4 . 1 1 125 125 LYS N N 125 118.600 118.600 113.474 5.126 18720 1710 1 4 . 1 1 125 125 LYS C C 125 176.540 176.540 176.164 0.376 18720 1711 1 4 . 1 1 125 125 LYS CA C 125 56.470 56.470 55.718 0.752 18720 1712 1 4 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.631 0.099 18720 1713 1 4 . 1 1 126 126 SER N N 126 116.570 116.570 115.832 0.738 18720 1714 1 4 . 1 1 126 126 SER C C 126 173.590 173.590 173.544 0.046 18720 1715 1 4 . 1 1 126 126 SER CA C 126 58.550 58.550 57.334 1.216 18720 1716 1 4 . 1 1 126 126 SER CB C 126 63.880 63.880 64.892 -1.012 18720 1717 1 5 . 1 1 2 2 ALA N N 2 123.960 123.960 124.600 -0.640 18720 1718 1 5 . 1 1 2 2 ALA C C 2 177.620 177.620 176.949 0.671 18720 1719 1 5 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.807 1.103 18720 1720 1 5 . 1 1 2 2 ALA CB C 2 19.050 19.050 19.692 -0.642 18720 1721 1 5 . 1 1 3 3 ASP N N 3 119.570 119.570 122.423 -2.853 18720 1722 1 5 . 1 1 3 3 ASP C C 3 177.150 177.150 176.457 0.693 18720 1723 1 5 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.870 0.930 18720 1724 1 5 . 1 1 3 3 ASP CB C 3 41.610 41.610 41.621 -0.011 18720 1725 1 5 . 1 1 4 4 GLU N N 4 123.110 123.110 126.336 -3.226 18720 1726 1 5 . 1 1 4 4 GLU C C 4 177.710 177.710 178.320 -0.610 18720 1727 1 5 . 1 1 4 4 GLU CA C 4 58.390 58.390 58.904 -0.514 18720 1728 1 5 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.877 -0.077 18720 1729 1 5 . 1 1 5 5 SER N N 5 116.020 116.020 115.670 0.350 18720 1730 1 5 . 1 1 5 5 SER CA C 5 60.870 60.870 61.313 -0.443 18720 1731 1 5 . 1 1 5 5 SER CB C 5 62.940 62.940 63.029 -0.089 18720 1732 1 5 . 1 1 6 6 ILE N N 6 123.790 123.790 121.074 2.716 18720 1733 1 5 . 1 1 6 6 ILE C C 6 178.180 178.180 178.034 0.146 18720 1734 1 5 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.507 0.163 18720 1735 1 5 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.706 0.954 18720 1736 1 5 . 1 1 7 7 THR N N 7 117.450 117.450 117.029 0.421 18720 1737 1 5 . 1 1 7 7 THR C C 7 176.030 176.030 176.754 -0.724 18720 1738 1 5 . 1 1 7 7 THR CA C 7 66.370 66.370 66.801 -0.431 18720 1739 1 5 . 1 1 7 7 THR CB C 7 68.640 68.640 68.624 0.016 18720 1740 1 5 . 1 1 8 8 ARG N N 8 120.770 120.770 121.825 -1.055 18720 1741 1 5 . 1 1 8 8 ARG C C 8 179.040 179.040 178.458 0.582 18720 1742 1 5 . 1 1 8 8 ARG CA C 8 59.390 59.390 58.819 0.571 18720 1743 1 5 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.753 0.237 18720 1744 1 5 . 1 1 9 9 MET N N 9 119.840 119.840 118.113 1.727 18720 1745 1 5 . 1 1 9 9 MET C C 9 178.760 178.760 178.453 0.307 18720 1746 1 5 . 1 1 9 9 MET CA C 9 58.240 58.240 59.645 -1.405 18720 1747 1 5 . 1 1 9 9 MET CB C 9 31.970 31.970 32.221 -0.251 18720 1748 1 5 . 1 1 10 10 ASN N N 10 120.190 120.190 118.883 1.307 18720 1749 1 5 . 1 1 10 10 ASN C C 10 176.660 176.660 177.673 -1.013 18720 1750 1 5 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.248 -0.608 18720 1751 1 5 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.496 -0.186 18720 1752 1 5 . 1 1 11 11 LEU N N 11 121.490 121.490 120.728 0.762 18720 1753 1 5 . 1 1 11 11 LEU C C 11 177.690 177.690 177.853 -0.163 18720 1754 1 5 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.713 -0.323 18720 1755 1 5 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.560 -0.581 18720 1756 1 5 . 1 1 12 12 ALA N N 12 120.380 120.380 121.658 -1.278 18720 1757 1 5 . 1 1 12 12 ALA C C 12 179.910 179.910 179.463 0.447 18720 1758 1 5 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.111 -0.221 18720 1759 1 5 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.935 -0.375 18720 1760 1 5 . 1 1 13 13 ALA N N 13 119.960 119.960 121.047 -1.087 18720 1761 1 5 . 1 1 13 13 ALA C C 13 179.740 179.740 179.997 -0.257 18720 1762 1 5 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.632 0.198 18720 1763 1 5 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.249 -0.729 18720 1764 1 5 . 1 1 14 14 ILE N N 14 118.040 118.040 119.855 -1.815 18720 1765 1 5 . 1 1 14 14 ILE C C 14 178.220 178.220 177.745 0.475 18720 1766 1 5 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.116 -0.756 18720 1767 1 5 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.328 -0.188 18720 1768 1 5 . 1 1 15 15 LYS N N 15 118.740 118.740 117.272 1.468 18720 1769 1 5 . 1 1 15 15 LYS C C 15 177.440 177.440 178.122 -0.682 18720 1770 1 5 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.423 -0.603 18720 1771 1 5 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.831 1.059 18720 1772 1 5 . 1 1 16 16 LYS N N 16 115.750 115.750 118.786 -3.036 18720 1773 1 5 . 1 1 16 16 LYS C C 16 177.060 177.060 177.424 -0.364 18720 1774 1 5 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.743 -0.183 18720 1775 1 5 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.658 -0.068 18720 1776 1 5 . 1 1 17 17 ILE N N 17 115.830 115.830 115.611 0.219 18720 1777 1 5 . 1 1 17 17 ILE C C 17 175.500 175.500 175.926 -0.426 18720 1778 1 5 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.359 -0.919 18720 1779 1 5 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.454 -0.494 18720 1780 1 5 . 1 1 18 18 ASP N N 18 119.320 119.320 120.727 -1.407 18720 1781 1 5 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.351 -0.611 18720 1782 1 5 . 1 1 18 18 ASP CB C 18 40.710 40.710 40.967 -0.257 18720 1783 1 5 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.141 -0.541 18720 1784 1 5 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.690 0.320 18720 1785 1 5 . 1 1 20 20 TYR N N 20 115.540 115.540 113.479 2.061 18720 1786 1 5 . 1 1 20 20 TYR C C 20 175.350 175.350 174.729 0.621 18720 1787 1 5 . 1 1 20 20 TYR CA C 20 57.810 57.810 55.302 2.508 18720 1788 1 5 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.960 0.180 18720 1789 1 5 . 1 1 21 21 ALA N N 21 122.720 122.720 122.782 -0.062 18720 1790 1 5 . 1 1 21 21 ALA C C 21 175.410 175.410 176.124 -0.714 18720 1791 1 5 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.734 2.596 18720 1792 1 5 . 1 1 21 21 ALA CB C 21 20.690 20.690 18.665 2.025 18720 1793 1 5 . 1 1 22 22 LYS N N 22 121.370 121.370 125.085 -3.715 18720 1794 1 5 . 1 1 22 22 LYS C C 22 175.400 175.400 176.356 -0.956 18720 1795 1 5 . 1 1 22 22 LYS CA C 22 56.820 56.820 57.299 -0.479 18720 1796 1 5 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.224 1.636 18720 1797 1 5 . 1 1 23 23 GLU N N 23 113.820 113.820 115.940 -2.120 18720 1798 1 5 . 1 1 23 23 GLU C C 23 174.470 174.470 174.404 0.066 18720 1799 1 5 . 1 1 23 23 GLU CA C 23 55.330 55.330 54.714 0.616 18720 1800 1 5 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.703 0.338 18720 1801 1 5 . 1 1 24 24 ILE N N 24 125.650 125.650 122.543 3.107 18720 1802 1 5 . 1 1 24 24 ILE C C 24 175.360 175.360 176.380 -1.020 18720 1803 1 5 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.549 1.221 18720 1804 1 5 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.348 -0.738 18720 1805 1 5 . 1 1 25 25 VAL N N 25 127.290 127.290 126.952 0.338 18720 1806 1 5 . 1 1 25 25 VAL C C 25 175.240 175.240 176.067 -0.827 18720 1807 1 5 . 1 1 25 25 VAL CA C 25 63.620 63.620 63.444 0.176 18720 1808 1 5 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.442 0.898 18720 1809 1 5 . 1 1 26 26 ASP N N 26 117.410 117.410 117.282 0.128 18720 1810 1 5 . 1 1 26 26 ASP C C 26 174.000 174.000 174.162 -0.162 18720 1811 1 5 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.626 -0.596 18720 1812 1 5 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.259 0.451 18720 1813 1 5 . 1 1 27 27 SER N N 27 115.600 115.600 116.619 -1.019 18720 1814 1 5 . 1 1 27 27 SER C C 27 172.420 172.420 172.955 -0.535 18720 1815 1 5 . 1 1 27 27 SER CA C 27 57.200 57.200 56.983 0.217 18720 1816 1 5 . 1 1 27 27 SER CB C 27 67.230 67.230 65.836 1.394 18720 1817 1 5 . 1 1 28 28 SER N N 28 113.820 113.820 118.728 -4.908 18720 1818 1 5 . 1 1 28 28 SER C C 28 176.140 176.140 176.301 -0.161 18720 1819 1 5 . 1 1 28 28 SER CA C 28 57.840 57.840 55.336 2.504 18720 1820 1 5 . 1 1 28 28 SER CB C 28 65.830 65.830 65.444 0.386 18720 1821 1 5 . 1 1 29 29 SER N N 29 121.670 121.670 123.687 -2.017 18720 1822 1 5 . 1 1 29 29 SER CA C 29 61.900 61.900 61.567 0.333 18720 1823 1 5 . 1 1 29 29 SER CB C 29 63.720 63.720 63.658 0.062 18720 1824 1 5 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.112 0.518 18720 1825 1 5 . 1 1 31 31 VAL N N 31 127.450 127.450 125.746 1.704 18720 1826 1 5 . 1 1 31 31 VAL C C 31 173.480 173.480 173.279 0.201 18720 1827 1 5 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.691 -0.361 18720 1828 1 5 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.804 -0.264 18720 1829 1 5 . 1 1 32 32 ALA N N 32 125.580 125.580 126.172 -0.592 18720 1830 1 5 . 1 1 32 32 ALA C C 32 175.260 175.260 175.107 0.153 18720 1831 1 5 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.831 0.979 18720 1832 1 5 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.027 -0.007 18720 1833 1 5 . 1 1 33 33 PHE N N 33 123.530 123.530 122.458 1.072 18720 1834 1 5 . 1 1 33 33 PHE C C 33 174.210 174.210 173.466 0.744 18720 1835 1 5 . 1 1 33 33 PHE CA C 33 56.050 56.050 56.891 -0.841 18720 1836 1 5 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.934 -0.915 18720 1837 1 5 . 1 1 34 34 TYR N N 34 130.040 130.040 125.805 4.235 18720 1838 1 5 . 1 1 34 34 TYR C C 34 173.300 173.300 174.992 -1.692 18720 1839 1 5 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.961 0.539 18720 1840 1 5 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.603 1.547 18720 1841 1 5 . 1 1 35 35 THR N N 35 109.080 109.080 118.492 -9.412 18720 1842 1 5 . 1 1 35 35 THR C C 35 172.150 172.150 172.771 -0.621 18720 1843 1 5 . 1 1 35 35 THR CA C 35 59.670 59.670 61.846 -2.176 18720 1844 1 5 . 1 1 35 35 THR CB C 35 70.820 70.820 71.421 -0.601 18720 1845 1 5 . 1 1 36 36 PHE N N 36 126.090 126.090 125.570 0.520 18720 1846 1 5 . 1 1 36 36 PHE C C 36 173.570 173.570 173.630 -0.060 18720 1847 1 5 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.295 1.615 18720 1848 1 5 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.471 -2.701 18720 1849 1 5 . 1 1 37 37 ASN N N 37 128.500 128.500 125.147 3.353 18720 1850 1 5 . 1 1 37 37 ASN C C 37 175.280 175.280 175.337 -0.057 18720 1851 1 5 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.313 0.216 18720 1852 1 5 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.037 -1.307 18720 1853 1 5 . 1 1 38 38 SER N N 38 121.880 121.880 122.560 -0.680 18720 1854 1 5 . 1 1 38 38 SER CB C 38 63.050 63.050 63.132 -0.082 18720 1855 1 5 . 1 1 39 39 SER C C 39 175.410 175.410 175.854 -0.444 18720 1856 1 5 . 1 1 39 39 SER CA C 39 61.020 61.020 60.717 0.303 18720 1857 1 5 . 1 1 39 39 SER CB C 39 62.700 62.700 63.275 -0.575 18720 1858 1 5 . 1 1 40 40 GLN N N 40 117.370 117.370 119.394 -2.024 18720 1859 1 5 . 1 1 40 40 GLN C C 40 174.910 174.910 176.002 -1.092 18720 1860 1 5 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.606 -0.806 18720 1861 1 5 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.561 0.249 18720 1862 1 5 . 1 1 41 41 ASN N N 41 118.400 118.400 116.323 2.077 18720 1863 1 5 . 1 1 41 41 ASN C C 41 173.240 173.240 173.641 -0.401 18720 1864 1 5 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.170 0.030 18720 1865 1 5 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.932 -0.292 18720 1866 1 5 . 1 1 42 42 GLU N N 42 112.910 112.910 116.777 -3.867 18720 1867 1 5 . 1 1 42 42 GLU C C 42 174.620 174.620 174.362 0.258 18720 1868 1 5 . 1 1 42 42 GLU CA C 42 54.110 54.110 55.008 -0.898 18720 1869 1 5 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.438 1.012 18720 1870 1 5 . 1 1 43 43 TRP N N 43 123.140 123.140 120.549 2.591 18720 1871 1 5 . 1 1 43 43 TRP C C 43 175.850 175.850 176.749 -0.899 18720 1872 1 5 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.252 0.388 18720 1873 1 5 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.909 0.701 18720 1874 1 5 . 1 1 44 44 GLU N N 44 120.660 120.660 124.102 -3.442 18720 1875 1 5 . 1 1 44 44 GLU C C 44 175.030 175.030 175.041 -0.011 18720 1876 1 5 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.553 0.567 18720 1877 1 5 . 1 1 44 44 GLU CB C 44 32.110 32.110 33.159 -1.049 18720 1878 1 5 . 1 1 45 45 LYS N N 45 123.100 123.100 127.802 -4.702 18720 1879 1 5 . 1 1 45 45 LYS C C 45 176.810 176.810 176.600 0.210 18720 1880 1 5 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.528 0.432 18720 1881 1 5 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.954 0.386 18720 1882 1 5 . 1 1 46 46 THR N N 46 114.570 114.570 117.376 -2.806 18720 1883 1 5 . 1 1 46 46 THR C C 46 174.130 174.130 174.486 -0.356 18720 1884 1 5 . 1 1 46 46 THR CA C 46 61.720 61.720 60.572 1.148 18720 1885 1 5 . 1 1 46 46 THR CB C 46 71.720 71.720 70.316 1.404 18720 1886 1 5 . 1 1 47 47 ASP N N 47 118.590 118.590 119.720 -1.130 18720 1887 1 5 . 1 1 47 47 ASP C C 47 174.390 174.390 175.107 -0.717 18720 1888 1 5 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.501 -0.591 18720 1889 1 5 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.059 -0.189 18720 1890 1 5 . 1 1 48 48 VAL N N 48 118.730 118.730 121.407 -2.677 18720 1891 1 5 . 1 1 48 48 VAL C C 48 174.840 174.840 173.800 1.040 18720 1892 1 5 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.729 0.631 18720 1893 1 5 . 1 1 48 48 VAL CB C 48 32.390 32.390 32.277 0.113 18720 1894 1 5 . 1 1 49 49 GLU N N 49 127.180 127.180 128.594 -1.414 18720 1895 1 5 . 1 1 49 49 GLU C C 49 174.140 174.140 175.072 -0.932 18720 1896 1 5 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.050 0.180 18720 1897 1 5 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.291 0.579 18720 1898 1 5 . 1 1 50 50 GLY N N 50 110.640 110.640 112.125 -1.485 18720 1899 1 5 . 1 1 50 50 GLY C C 50 171.360 171.360 171.934 -0.574 18720 1900 1 5 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.031 0.690 18720 1901 1 5 . 1 1 51 51 ALA N N 51 124.800 124.800 121.735 3.065 18720 1902 1 5 . 1 1 51 51 ALA C C 51 174.220 174.220 175.765 -1.545 18720 1903 1 5 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.298 1.372 18720 1904 1 5 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.477 -0.207 18720 1905 1 5 . 1 1 52 52 PHE N N 52 123.680 123.680 125.734 -2.054 18720 1906 1 5 . 1 1 52 52 PHE C C 52 173.650 173.650 173.387 0.263 18720 1907 1 5 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.243 -0.323 18720 1908 1 5 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.453 2.247 18720 1909 1 5 . 1 1 53 53 PHE N N 53 123.690 123.690 126.306 -2.616 18720 1910 1 5 . 1 1 53 53 PHE C C 53 174.760 174.760 174.070 0.690 18720 1911 1 5 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.602 0.918 18720 1912 1 5 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.642 -0.222 18720 1913 1 5 . 1 1 54 54 ILE N N 54 119.970 119.970 121.355 -1.385 18720 1914 1 5 . 1 1 54 54 ILE C C 54 175.240 175.240 174.708 0.532 18720 1915 1 5 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.834 -1.344 18720 1916 1 5 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.436 -0.546 18720 1917 1 5 . 1 1 55 55 TYR N N 55 125.670 125.670 126.679 -1.009 18720 1918 1 5 . 1 1 55 55 TYR C C 55 170.980 170.980 174.924 -3.944 18720 1919 1 5 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.565 0.755 18720 1920 1 5 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.880 2.099 18720 1921 1 5 . 1 1 56 56 HIS N N 56 121.710 121.710 122.668 -0.958 18720 1922 1 5 . 1 1 56 56 HIS C C 56 175.000 175.000 173.428 1.572 18720 1923 1 5 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.541 -1.811 18720 1924 1 5 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.528 -0.228 18720 1925 1 5 . 1 1 57 57 ARG N N 57 126.870 126.870 124.739 2.131 18720 1926 1 5 . 1 1 57 57 ARG C C 57 174.770 174.770 174.041 0.729 18720 1927 1 5 . 1 1 57 57 ARG CA C 57 55.030 55.030 55.065 -0.035 18720 1928 1 5 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.590 1.500 18720 1929 1 5 . 1 1 58 58 ASN N N 58 115.660 115.660 120.827 -5.167 18720 1930 1 5 . 1 1 58 58 ASN C C 58 173.540 173.540 174.054 -0.514 18720 1931 1 5 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.888 -1.118 18720 1932 1 5 . 1 1 58 58 ASN CB C 58 39.180 39.180 38.124 1.056 18720 1933 1 5 . 1 1 59 59 ALA N N 59 120.190 120.190 121.141 -0.951 18720 1934 1 5 . 1 1 59 59 ALA C C 59 173.000 173.000 174.979 -1.979 18720 1935 1 5 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.832 -0.492 18720 1936 1 5 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.066 0.814 18720 1937 1 5 . 1 1 60 60 GLU N N 60 117.270 117.270 119.892 -2.622 18720 1938 1 5 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.784 -0.274 18720 1939 1 5 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.547 0.122 18720 1940 1 5 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.547 -0.487 18720 1941 1 5 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.429 1.201 18720 1942 1 5 . 1 1 62 62 PHE N N 62 120.680 120.680 119.384 1.296 18720 1943 1 5 . 1 1 62 62 PHE C C 62 174.840 174.840 175.571 -0.731 18720 1944 1 5 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.670 -0.890 18720 1945 1 5 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.812 -0.592 18720 1946 1 5 . 1 1 63 63 HIS N N 63 115.820 115.820 113.025 2.795 18720 1947 1 5 . 1 1 63 63 HIS C C 63 174.540 174.540 173.903 0.637 18720 1948 1 5 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.705 0.285 18720 1949 1 5 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.662 0.668 18720 1950 1 5 . 1 1 64 64 SER N N 64 114.040 114.040 116.659 -2.619 18720 1951 1 5 . 1 1 64 64 SER C C 64 169.620 169.620 172.310 -2.690 18720 1952 1 5 . 1 1 64 64 SER CA C 64 55.980 55.980 57.730 -1.750 18720 1953 1 5 . 1 1 64 64 SER CB C 64 66.770 66.770 65.607 1.163 18720 1954 1 5 . 1 1 65 65 ILE N N 65 125.090 125.090 122.948 2.142 18720 1955 1 5 . 1 1 65 65 ILE C C 65 174.630 174.630 173.892 0.738 18720 1956 1 5 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.592 -0.372 18720 1957 1 5 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.676 -0.086 18720 1958 1 5 . 1 1 66 66 PHE N N 66 127.730 127.730 126.665 1.065 18720 1959 1 5 . 1 1 66 66 PHE C C 66 174.680 174.680 173.002 1.678 18720 1960 1 5 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.687 -0.387 18720 1961 1 5 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.221 1.809 18720 1962 1 5 . 1 1 67 67 ILE N N 67 124.780 124.780 124.339 0.441 18720 1963 1 5 . 1 1 67 67 ILE C C 67 174.180 174.180 173.706 0.474 18720 1964 1 5 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.630 0.040 18720 1965 1 5 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.409 -0.689 18720 1966 1 5 . 1 1 68 68 ASN N N 68 124.620 124.620 124.605 0.015 18720 1967 1 5 . 1 1 68 68 ASN C C 68 174.260 174.260 173.976 0.284 18720 1968 1 5 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.803 -0.733 18720 1969 1 5 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.669 -0.668 18720 1970 1 5 . 1 1 69 69 ASN N N 69 124.120 124.120 125.314 -1.194 18720 1971 1 5 . 1 1 69 69 ASN C C 69 175.740 175.740 176.086 -0.346 18720 1972 1 5 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.965 0.235 18720 1973 1 5 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.809 0.711 18720 1974 1 5 . 1 1 70 70 ARG N N 70 123.310 123.310 127.014 -3.704 18720 1975 1 5 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.917 -1.957 18720 1976 1 5 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.562 0.498 18720 1977 1 5 . 1 1 73 73 THR C C 73 175.310 175.310 173.641 1.669 18720 1978 1 5 . 1 1 73 73 THR CA C 73 62.320 62.320 63.482 -1.162 18720 1979 1 5 . 1 1 73 73 THR CB C 73 69.070 69.070 65.973 3.097 18720 1980 1 5 . 1 1 74 74 THR N N 74 119.010 119.010 115.330 3.680 18720 1981 1 5 . 1 1 74 74 THR C C 74 173.810 173.810 173.098 0.712 18720 1982 1 5 . 1 1 74 74 THR CA C 74 62.700 62.700 60.605 2.095 18720 1983 1 5 . 1 1 74 74 THR CB C 74 69.750 69.750 72.179 -2.429 18720 1984 1 5 . 1 1 75 75 SER N N 75 120.750 120.750 117.839 2.911 18720 1985 1 5 . 1 1 75 75 SER C C 75 172.250 172.250 173.351 -1.101 18720 1986 1 5 . 1 1 75 75 SER CA C 75 58.300 58.300 57.433 0.867 18720 1987 1 5 . 1 1 75 75 SER CB C 75 65.290 65.290 64.988 0.302 18720 1988 1 5 . 1 1 76 76 PHE N N 76 122.090 122.090 125.837 -3.747 18720 1989 1 5 . 1 1 76 76 PHE C C 76 172.040 172.040 172.650 -0.610 18720 1990 1 5 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.792 -0.012 18720 1991 1 5 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.723 0.577 18720 1992 1 5 . 1 1 77 77 VAL N N 77 124.490 124.490 126.410 -1.920 18720 1993 1 5 . 1 1 77 77 VAL C C 77 174.390 174.390 173.401 0.989 18720 1994 1 5 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.577 0.163 18720 1995 1 5 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.033 0.577 18720 1996 1 5 . 1 1 78 78 GLU N N 78 125.760 125.760 126.954 -1.194 18720 1997 1 5 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.678 -0.558 18720 1998 1 5 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.204 0.586 18720 1999 1 5 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.496 0.274 18720 2000 1 5 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.662 -0.102 18720 2001 1 5 . 1 1 80 80 ILE N N 80 123.190 123.190 124.217 -1.027 18720 2002 1 5 . 1 1 80 80 ILE C C 80 174.250 174.250 176.297 -2.047 18720 2003 1 5 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.443 -0.023 18720 2004 1 5 . 1 1 80 80 ILE CB C 80 36.640 36.640 37.731 -1.091 18720 2005 1 5 . 1 1 81 81 THR N N 81 115.840 115.840 119.082 -3.242 18720 2006 1 5 . 1 1 81 81 THR C C 81 174.140 174.140 175.531 -1.391 18720 2007 1 5 . 1 1 81 81 THR CA C 81 59.500 59.500 60.559 -1.059 18720 2008 1 5 . 1 1 81 81 THR CB C 81 71.030 71.030 70.577 0.453 18720 2009 1 5 . 1 1 82 82 GLY N N 82 128.890 128.890 107.522 21.368 18720 2010 1 5 . 1 1 82 82 GLY C C 82 176.630 176.630 174.908 1.722 18720 2011 1 5 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.197 1.223 18720 2012 1 5 . 1 1 83 83 SER N N 83 113.780 113.780 114.728 -0.948 18720 2013 1 5 . 1 1 83 83 SER C C 83 173.410 173.410 174.401 -0.991 18720 2014 1 5 . 1 1 83 83 SER CA C 83 57.840 57.840 58.020 -0.180 18720 2015 1 5 . 1 1 83 83 SER CB C 83 63.480 63.480 63.314 0.166 18720 2016 1 5 . 1 1 84 84 LEU N N 84 123.770 123.770 122.759 1.011 18720 2017 1 5 . 1 1 84 84 LEU C C 84 175.350 175.350 176.454 -1.104 18720 2018 1 5 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.078 1.052 18720 2019 1 5 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.493 0.197 18720 2020 1 5 . 1 1 85 85 GLU N N 85 124.380 124.380 124.063 0.317 18720 2021 1 5 . 1 1 85 85 GLU C C 85 174.280 174.280 174.909 -0.629 18720 2022 1 5 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.311 -0.441 18720 2023 1 5 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.041 1.379 18720 2024 1 5 . 1 1 86 86 LEU N N 86 121.400 121.400 124.732 -3.332 18720 2025 1 5 . 1 1 86 86 LEU C C 86 177.240 177.240 176.921 0.319 18720 2026 1 5 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.797 0.693 18720 2027 1 5 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.471 1.649 18720 2028 1 5 . 1 1 87 87 GLN N N 87 121.690 121.690 119.884 1.806 18720 2029 1 5 . 1 1 87 87 GLN C C 87 173.460 173.460 174.088 -0.628 18720 2030 1 5 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.693 1.387 18720 2031 1 5 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.062 -1.292 18720 2032 1 5 . 1 1 88 88 SER N N 88 120.000 120.000 118.094 1.906 18720 2033 1 5 . 1 1 88 88 SER C C 88 174.930 174.930 173.749 1.181 18720 2034 1 5 . 1 1 88 88 SER CA C 88 57.540 57.540 57.550 -0.010 18720 2035 1 5 . 1 1 88 88 SER CB C 88 63.750 63.750 63.117 0.633 18720 2036 1 5 . 1 1 89 89 GLN N N 89 129.170 129.170 127.388 1.782 18720 2037 1 5 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.547 1.073 18720 2038 1 5 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.929 -0.429 18720 2039 1 5 . 1 1 93 93 LEU C C 93 173.810 173.810 174.729 -0.919 18720 2040 1 5 . 1 1 93 93 LEU CA C 93 53.890 53.890 54.101 -0.211 18720 2041 1 5 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.903 -0.113 18720 2042 1 5 . 1 1 94 94 LEU N N 94 125.950 125.950 127.602 -1.652 18720 2043 1 5 . 1 1 94 94 LEU C C 94 175.680 175.680 174.350 1.330 18720 2044 1 5 . 1 1 94 94 LEU CA C 94 54.970 54.970 54.108 0.862 18720 2045 1 5 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.350 -2.070 18720 2046 1 5 . 1 1 95 95 TYR N N 95 118.250 118.250 121.214 -2.964 18720 2047 1 5 . 1 1 95 95 TYR C C 95 171.830 171.830 173.419 -1.589 18720 2048 1 5 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.402 1.718 18720 2049 1 5 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.265 0.345 18720 2050 1 5 . 1 1 96 96 ARG N N 96 114.570 114.570 119.729 -5.159 18720 2051 1 5 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.781 -1.581 18720 2052 1 5 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.679 0.301 18720 2053 1 5 . 1 1 99 99 ARG C C 99 175.470 175.470 175.158 0.312 18720 2054 1 5 . 1 1 99 99 ARG CB C 99 29.380 29.380 27.653 1.727 18720 2055 1 5 . 1 1 100 100 SER N N 100 110.460 110.460 109.697 0.763 18720 2056 1 5 . 1 1 100 100 SER C C 100 173.620 173.620 173.577 0.043 18720 2057 1 5 . 1 1 100 100 SER CA C 100 59.570 59.570 59.632 -0.062 18720 2058 1 5 . 1 1 100 100 SER CB C 100 62.640 62.640 62.306 0.334 18720 2059 1 5 . 1 1 101 101 ARG N N 101 119.500 119.500 119.068 0.432 18720 2060 1 5 . 1 1 101 101 ARG C C 101 174.900 174.900 174.499 0.401 18720 2061 1 5 . 1 1 101 101 ARG CA C 101 55.510 55.510 54.134 1.376 18720 2062 1 5 . 1 1 101 101 ARG CB C 101 30.470 30.470 31.873 -1.403 18720 2063 1 5 . 1 1 102 102 ILE N N 102 124.730 124.730 122.241 2.489 18720 2064 1 5 . 1 1 102 102 ILE C C 102 175.360 175.360 174.749 0.611 18720 2065 1 5 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.642 1.028 18720 2066 1 5 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.326 -0.596 18720 2067 1 5 . 1 1 103 103 ARG N N 103 130.770 130.770 125.120 5.650 18720 2068 1 5 . 1 1 103 103 ARG C C 103 173.480 173.480 174.555 -1.075 18720 2069 1 5 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.238 0.592 18720 2070 1 5 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.697 1.593 18720 2071 1 5 . 1 1 104 104 GLY N N 104 128.260 128.260 108.183 20.077 18720 2072 1 5 . 1 1 104 104 GLY C C 104 170.890 170.890 171.717 -0.827 18720 2073 1 5 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.250 2.190 18720 2074 1 5 . 1 1 105 105 PHE N N 105 118.120 118.120 118.202 -0.082 18720 2075 1 5 . 1 1 105 105 PHE C C 105 173.920 173.920 173.452 0.468 18720 2076 1 5 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.742 -2.082 18720 2077 1 5 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.809 -0.589 18720 2078 1 5 . 1 1 106 106 TRP N N 106 124.290 124.290 124.190 0.100 18720 2079 1 5 . 1 1 106 106 TRP CA C 106 56.410 56.410 55.858 0.552 18720 2080 1 5 . 1 1 106 106 TRP CB C 106 31.880 31.880 31.973 -0.093 18720 2081 1 5 . 1 1 110 110 SER C C 110 175.240 175.240 175.943 -0.703 18720 2082 1 5 . 1 1 110 110 SER CA C 110 62.920 62.920 61.025 1.895 18720 2083 1 5 . 1 1 110 110 SER CB C 110 64.980 64.980 63.242 1.738 18720 2084 1 5 . 1 1 111 111 GLU N N 111 122.310 122.310 119.395 2.915 18720 2085 1 5 . 1 1 111 111 GLU C C 111 179.150 179.150 178.385 0.765 18720 2086 1 5 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.362 0.178 18720 2087 1 5 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.149 -0.579 18720 2088 1 5 . 1 1 112 112 GLU N N 112 118.920 118.920 120.056 -1.136 18720 2089 1 5 . 1 1 112 112 GLU C C 112 176.360 176.360 178.331 -1.971 18720 2090 1 5 . 1 1 112 112 GLU CA C 112 58.080 58.080 58.959 -0.879 18720 2091 1 5 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.415 0.825 18720 2092 1 5 . 1 1 113 113 CYS N N 113 117.090 117.090 117.241 -0.151 18720 2093 1 5 . 1 1 113 113 CYS C C 113 176.110 176.110 176.034 0.076 18720 2094 1 5 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.933 -1.433 18720 2095 1 5 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.989 -0.189 18720 2096 1 5 . 1 1 114 114 ASP N N 114 118.820 118.820 120.644 -1.824 18720 2097 1 5 . 1 1 114 114 ASP C C 114 178.460 178.460 178.421 0.039 18720 2098 1 5 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.095 0.245 18720 2099 1 5 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.576 0.494 18720 2100 1 5 . 1 1 115 115 ARG N N 115 120.870 120.870 119.051 1.819 18720 2101 1 5 . 1 1 115 115 ARG C C 115 179.440 179.440 178.857 0.583 18720 2102 1 5 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.410 0.240 18720 2103 1 5 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.105 0.595 18720 2104 1 5 . 1 1 116 116 ILE N N 116 119.500 119.500 119.398 0.102 18720 2105 1 5 . 1 1 116 116 ILE C C 116 177.680 177.680 177.937 -0.257 18720 2106 1 5 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.595 -1.655 18720 2107 1 5 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.486 -1.766 18720 2108 1 5 . 1 1 117 117 SER N N 117 115.890 115.890 115.937 -0.047 18720 2109 1 5 . 1 1 117 117 SER C C 117 176.720 176.720 176.813 -0.093 18720 2110 1 5 . 1 1 117 117 SER CA C 117 62.630 62.630 61.593 1.037 18720 2111 1 5 . 1 1 117 117 SER CB C 117 62.660 62.660 62.839 -0.179 18720 2112 1 5 . 1 1 118 118 GLY N N 118 130.780 130.780 110.696 20.084 18720 2113 1 5 . 1 1 118 118 GLY C C 118 176.570 176.570 175.858 0.712 18720 2114 1 5 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.029 0.062 18720 2115 1 5 . 1 1 119 119 LEU N N 119 124.450 124.450 122.647 1.803 18720 2116 1 5 . 1 1 119 119 LEU C C 119 179.470 179.470 178.927 0.543 18720 2117 1 5 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.821 -0.011 18720 2118 1 5 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.847 0.463 18720 2119 1 5 . 1 1 120 120 VAL N N 120 119.140 119.140 119.463 -0.323 18720 2120 1 5 . 1 1 120 120 VAL C C 120 177.380 177.380 177.973 -0.593 18720 2121 1 5 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.779 0.651 18720 2122 1 5 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.366 -0.496 18720 2123 1 5 . 1 1 121 121 ASN N N 121 116.650 116.650 118.529 -1.879 18720 2124 1 5 . 1 1 121 121 ASN C C 121 178.330 178.330 177.880 0.450 18720 2125 1 5 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.184 0.486 18720 2126 1 5 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.627 0.933 18720 2127 1 5 . 1 1 122 122 GLY N N 122 129.450 129.450 108.616 20.834 18720 2128 1 5 . 1 1 122 122 GLY C C 122 176.190 176.190 176.103 0.087 18720 2129 1 5 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.905 -0.125 18720 2130 1 5 . 1 1 123 123 LEU N N 123 121.510 121.510 121.594 -0.084 18720 2131 1 5 . 1 1 123 123 LEU C C 123 179.060 179.060 178.017 1.043 18720 2132 1 5 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.251 -0.861 18720 2133 1 5 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.618 -0.028 18720 2134 1 5 . 1 1 124 124 LEU N N 124 119.080 119.080 115.972 3.108 18720 2135 1 5 . 1 1 124 124 LEU C C 124 177.880 177.880 178.815 -0.935 18720 2136 1 5 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.040 -0.760 18720 2137 1 5 . 1 1 124 124 LEU CB C 124 42.300 42.300 42.120 0.180 18720 2138 1 5 . 1 1 125 125 LYS N N 125 118.600 118.600 114.980 3.620 18720 2139 1 5 . 1 1 125 125 LYS C C 125 176.540 176.540 177.220 -0.680 18720 2140 1 5 . 1 1 125 125 LYS CA C 125 56.470 56.470 57.403 -0.933 18720 2141 1 5 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.882 -0.152 18720 2142 1 5 . 1 1 126 126 SER N N 126 116.570 116.570 116.881 -0.311 18720 2143 1 5 . 1 1 126 126 SER C C 126 173.590 173.590 172.749 0.841 18720 2144 1 5 . 1 1 126 126 SER CA C 126 58.550 58.550 58.473 0.077 18720 2145 1 5 . 1 1 126 126 SER CB C 126 63.880 63.880 64.584 -0.704 18720 2146 1 6 . 1 1 2 2 ALA N N 2 123.960 123.960 124.482 -0.522 18720 2147 1 6 . 1 1 2 2 ALA C C 2 177.620 177.620 176.676 0.944 18720 2148 1 6 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.706 1.204 18720 2149 1 6 . 1 1 2 2 ALA CB C 2 19.050 19.050 20.017 -0.967 18720 2150 1 6 . 1 1 3 3 ASP N N 3 119.570 119.570 122.381 -2.811 18720 2151 1 6 . 1 1 3 3 ASP C C 3 177.150 177.150 177.162 -0.012 18720 2152 1 6 . 1 1 3 3 ASP CA C 3 54.800 54.800 54.284 0.516 18720 2153 1 6 . 1 1 3 3 ASP CB C 3 41.610 41.610 42.161 -0.551 18720 2154 1 6 . 1 1 4 4 GLU N N 4 123.110 123.110 123.028 0.082 18720 2155 1 6 . 1 1 4 4 GLU C C 4 177.710 177.710 177.938 -0.228 18720 2156 1 6 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.759 -1.369 18720 2157 1 6 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.778 0.022 18720 2158 1 6 . 1 1 5 5 SER N N 5 116.020 116.020 115.847 0.173 18720 2159 1 6 . 1 1 5 5 SER CA C 5 60.870 60.870 61.677 -0.807 18720 2160 1 6 . 1 1 5 5 SER CB C 5 62.940 62.940 62.950 -0.010 18720 2161 1 6 . 1 1 6 6 ILE N N 6 123.790 123.790 120.702 3.088 18720 2162 1 6 . 1 1 6 6 ILE C C 6 178.180 178.180 178.164 0.016 18720 2163 1 6 . 1 1 6 6 ILE CA C 6 63.670 63.670 64.232 -0.562 18720 2164 1 6 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.616 1.044 18720 2165 1 6 . 1 1 7 7 THR N N 7 117.450 117.450 116.669 0.781 18720 2166 1 6 . 1 1 7 7 THR C C 7 176.030 176.030 177.059 -1.029 18720 2167 1 6 . 1 1 7 7 THR CA C 7 66.370 66.370 66.772 -0.402 18720 2168 1 6 . 1 1 7 7 THR CB C 7 68.640 68.640 68.294 0.346 18720 2169 1 6 . 1 1 8 8 ARG N N 8 120.770 120.770 120.256 0.514 18720 2170 1 6 . 1 1 8 8 ARG C C 8 179.040 179.040 178.808 0.232 18720 2171 1 6 . 1 1 8 8 ARG CA C 8 59.390 59.390 58.615 0.775 18720 2172 1 6 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.396 0.594 18720 2173 1 6 . 1 1 9 9 MET N N 9 119.840 119.840 118.926 0.914 18720 2174 1 6 . 1 1 9 9 MET C C 9 178.760 178.760 178.378 0.382 18720 2175 1 6 . 1 1 9 9 MET CA C 9 58.240 58.240 59.438 -1.198 18720 2176 1 6 . 1 1 9 9 MET CB C 9 31.970 31.970 32.127 -0.157 18720 2177 1 6 . 1 1 10 10 ASN N N 10 120.190 120.190 118.686 1.504 18720 2178 1 6 . 1 1 10 10 ASN C C 10 176.660 176.660 177.755 -1.095 18720 2179 1 6 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.029 -0.389 18720 2180 1 6 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.298 0.012 18720 2181 1 6 . 1 1 11 11 LEU N N 11 121.490 121.490 121.257 0.233 18720 2182 1 6 . 1 1 11 11 LEU C C 11 177.690 177.690 177.916 -0.226 18720 2183 1 6 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.768 -0.378 18720 2184 1 6 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.564 -0.584 18720 2185 1 6 . 1 1 12 12 ALA N N 12 120.380 120.380 121.684 -1.304 18720 2186 1 6 . 1 1 12 12 ALA C C 12 179.910 179.910 179.422 0.488 18720 2187 1 6 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.080 -0.190 18720 2188 1 6 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.923 -0.363 18720 2189 1 6 . 1 1 13 13 ALA N N 13 119.960 119.960 121.094 -1.134 18720 2190 1 6 . 1 1 13 13 ALA C C 13 179.740 179.740 179.990 -0.250 18720 2191 1 6 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.641 0.189 18720 2192 1 6 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.240 -0.720 18720 2193 1 6 . 1 1 14 14 ILE N N 14 118.040 118.040 119.750 -1.710 18720 2194 1 6 . 1 1 14 14 ILE C C 14 178.220 178.220 177.722 0.498 18720 2195 1 6 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.135 -0.775 18720 2196 1 6 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.267 -0.127 18720 2197 1 6 . 1 1 15 15 LYS N N 15 118.740 118.740 117.936 0.804 18720 2198 1 6 . 1 1 15 15 LYS C C 15 177.440 177.440 178.603 -1.163 18720 2199 1 6 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.632 -0.812 18720 2200 1 6 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.905 0.985 18720 2201 1 6 . 1 1 16 16 LYS N N 16 115.750 115.750 117.749 -1.999 18720 2202 1 6 . 1 1 16 16 LYS C C 16 177.060 177.060 177.665 -0.605 18720 2203 1 6 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.448 0.112 18720 2204 1 6 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.290 0.300 18720 2205 1 6 . 1 1 17 17 ILE N N 17 115.830 115.830 116.609 -0.779 18720 2206 1 6 . 1 1 17 17 ILE C C 17 175.500 175.500 176.280 -0.780 18720 2207 1 6 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.762 -1.322 18720 2208 1 6 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.211 -0.251 18720 2209 1 6 . 1 1 18 18 ASP N N 18 119.320 119.320 120.338 -1.018 18720 2210 1 6 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.344 -0.604 18720 2211 1 6 . 1 1 18 18 ASP CB C 18 40.710 40.710 40.925 -0.215 18720 2212 1 6 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.170 -0.570 18720 2213 1 6 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.678 0.332 18720 2214 1 6 . 1 1 20 20 TYR N N 20 115.540 115.540 112.652 2.888 18720 2215 1 6 . 1 1 20 20 TYR C C 20 175.350 175.350 174.959 0.391 18720 2216 1 6 . 1 1 20 20 TYR CA C 20 57.810 57.810 55.494 2.316 18720 2217 1 6 . 1 1 20 20 TYR CB C 20 37.140 37.140 37.008 0.132 18720 2218 1 6 . 1 1 21 21 ALA N N 21 122.720 122.720 122.966 -0.246 18720 2219 1 6 . 1 1 21 21 ALA C C 21 175.410 175.410 176.705 -1.295 18720 2220 1 6 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.837 2.494 18720 2221 1 6 . 1 1 21 21 ALA CB C 21 20.690 20.690 19.023 1.667 18720 2222 1 6 . 1 1 22 22 LYS N N 22 121.370 121.370 122.726 -1.356 18720 2223 1 6 . 1 1 22 22 LYS C C 22 175.400 175.400 176.591 -1.191 18720 2224 1 6 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.770 0.050 18720 2225 1 6 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.157 1.704 18720 2226 1 6 . 1 1 23 23 GLU N N 23 113.820 113.820 119.553 -5.733 18720 2227 1 6 . 1 1 23 23 GLU C C 23 174.470 174.470 174.380 0.090 18720 2228 1 6 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.075 0.256 18720 2229 1 6 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.853 0.187 18720 2230 1 6 . 1 1 24 24 ILE N N 24 125.650 125.650 124.483 1.167 18720 2231 1 6 . 1 1 24 24 ILE C C 24 175.360 175.360 176.369 -1.009 18720 2232 1 6 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.532 1.238 18720 2233 1 6 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.260 -0.650 18720 2234 1 6 . 1 1 25 25 VAL N N 25 127.290 127.290 127.189 0.101 18720 2235 1 6 . 1 1 25 25 VAL C C 25 175.240 175.240 176.063 -0.823 18720 2236 1 6 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.128 -0.508 18720 2237 1 6 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.773 0.568 18720 2238 1 6 . 1 1 26 26 ASP N N 26 117.410 117.410 117.162 0.248 18720 2239 1 6 . 1 1 26 26 ASP C C 26 174.000 174.000 174.009 -0.009 18720 2240 1 6 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.534 -0.504 18720 2241 1 6 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.663 0.046 18720 2242 1 6 . 1 1 27 27 SER N N 27 115.600 115.600 116.668 -1.068 18720 2243 1 6 . 1 1 27 27 SER C C 27 172.420 172.420 172.864 -0.444 18720 2244 1 6 . 1 1 27 27 SER CA C 27 57.200 57.200 56.905 0.295 18720 2245 1 6 . 1 1 27 27 SER CB C 27 67.230 67.230 65.866 1.364 18720 2246 1 6 . 1 1 28 28 SER N N 28 113.820 113.820 120.174 -6.354 18720 2247 1 6 . 1 1 28 28 SER C C 28 176.140 176.140 175.519 0.621 18720 2248 1 6 . 1 1 28 28 SER CA C 28 57.840 57.840 55.692 2.148 18720 2249 1 6 . 1 1 28 28 SER CB C 28 65.830 65.830 64.719 1.111 18720 2250 1 6 . 1 1 29 29 SER N N 29 121.670 121.670 123.646 -1.976 18720 2251 1 6 . 1 1 29 29 SER CA C 29 61.900 61.900 61.940 -0.040 18720 2252 1 6 . 1 1 29 29 SER CB C 29 63.720 63.720 63.695 0.025 18720 2253 1 6 . 1 1 30 30 HIS CA C 30 56.630 56.630 55.850 0.780 18720 2254 1 6 . 1 1 31 31 VAL N N 31 127.450 127.450 126.249 1.201 18720 2255 1 6 . 1 1 31 31 VAL C C 31 173.480 173.480 173.266 0.214 18720 2256 1 6 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.920 -0.590 18720 2257 1 6 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.542 -0.002 18720 2258 1 6 . 1 1 32 32 ALA N N 32 125.580 125.580 126.582 -1.002 18720 2259 1 6 . 1 1 32 32 ALA C C 32 175.260 175.260 174.858 0.402 18720 2260 1 6 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.666 1.145 18720 2261 1 6 . 1 1 32 32 ALA CB C 32 23.020 23.020 22.881 0.139 18720 2262 1 6 . 1 1 33 33 PHE N N 33 123.530 123.530 122.788 0.742 18720 2263 1 6 . 1 1 33 33 PHE C C 33 174.210 174.210 173.222 0.988 18720 2264 1 6 . 1 1 33 33 PHE CA C 33 56.050 56.050 54.595 1.455 18720 2265 1 6 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.174 -0.154 18720 2266 1 6 . 1 1 34 34 TYR N N 34 130.040 130.040 126.720 3.320 18720 2267 1 6 . 1 1 34 34 TYR C C 34 173.300 173.300 174.714 -1.414 18720 2268 1 6 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.813 0.687 18720 2269 1 6 . 1 1 34 34 TYR CB C 34 44.150 44.150 43.020 1.129 18720 2270 1 6 . 1 1 35 35 THR N N 35 109.080 109.080 118.071 -8.991 18720 2271 1 6 . 1 1 35 35 THR C C 35 172.150 172.150 172.566 -0.416 18720 2272 1 6 . 1 1 35 35 THR CA C 35 59.670 59.670 61.539 -1.869 18720 2273 1 6 . 1 1 35 35 THR CB C 35 70.820 70.820 71.403 -0.583 18720 2274 1 6 . 1 1 36 36 PHE N N 36 126.090 126.090 125.499 0.591 18720 2275 1 6 . 1 1 36 36 PHE C C 36 173.570 173.570 173.091 0.479 18720 2276 1 6 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.298 1.611 18720 2277 1 6 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.221 -2.451 18720 2278 1 6 . 1 1 37 37 ASN N N 37 128.500 128.500 125.161 3.339 18720 2279 1 6 . 1 1 37 37 ASN C C 37 175.280 175.280 175.133 0.147 18720 2280 1 6 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.438 0.092 18720 2281 1 6 . 1 1 37 37 ASN CB C 37 37.730 37.730 40.072 -2.342 18720 2282 1 6 . 1 1 38 38 SER N N 38 121.880 121.880 123.105 -1.225 18720 2283 1 6 . 1 1 38 38 SER CB C 38 63.050 63.050 63.065 -0.015 18720 2284 1 6 . 1 1 39 39 SER C C 39 175.410 175.410 175.695 -0.285 18720 2285 1 6 . 1 1 39 39 SER CA C 39 61.020 61.020 61.085 -0.065 18720 2286 1 6 . 1 1 39 39 SER CB C 39 62.700 62.700 63.269 -0.569 18720 2287 1 6 . 1 1 40 40 GLN N N 40 117.370 117.370 118.722 -1.352 18720 2288 1 6 . 1 1 40 40 GLN C C 40 174.910 174.910 175.621 -0.711 18720 2289 1 6 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.693 -0.893 18720 2290 1 6 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.596 0.214 18720 2291 1 6 . 1 1 41 41 ASN N N 41 118.400 118.400 116.553 1.847 18720 2292 1 6 . 1 1 41 41 ASN C C 41 173.240 173.240 173.447 -0.207 18720 2293 1 6 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.125 0.075 18720 2294 1 6 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.544 0.096 18720 2295 1 6 . 1 1 42 42 GLU N N 42 112.910 112.910 117.253 -4.343 18720 2296 1 6 . 1 1 42 42 GLU C C 42 174.620 174.620 174.369 0.251 18720 2297 1 6 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.783 -0.673 18720 2298 1 6 . 1 1 42 42 GLU CB C 42 34.450 34.450 32.708 1.742 18720 2299 1 6 . 1 1 43 43 TRP N N 43 123.140 123.140 122.240 0.900 18720 2300 1 6 . 1 1 43 43 TRP C C 43 175.850 175.850 176.692 -0.842 18720 2301 1 6 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.349 0.291 18720 2302 1 6 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.738 0.872 18720 2303 1 6 . 1 1 44 44 GLU N N 44 120.660 120.660 122.705 -2.045 18720 2304 1 6 . 1 1 44 44 GLU C C 44 175.030 175.030 175.361 -0.331 18720 2305 1 6 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.999 0.121 18720 2306 1 6 . 1 1 44 44 GLU CB C 44 32.110 32.110 32.825 -0.715 18720 2307 1 6 . 1 1 45 45 LYS N N 45 123.100 123.100 126.946 -3.846 18720 2308 1 6 . 1 1 45 45 LYS C C 45 176.810 176.810 176.424 0.386 18720 2309 1 6 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.512 0.448 18720 2310 1 6 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.788 0.552 18720 2311 1 6 . 1 1 46 46 THR N N 46 114.570 114.570 119.894 -5.324 18720 2312 1 6 . 1 1 46 46 THR C C 46 174.130 174.130 174.652 -0.522 18720 2313 1 6 . 1 1 46 46 THR CA C 46 61.720 61.720 60.355 1.365 18720 2314 1 6 . 1 1 46 46 THR CB C 46 71.720 71.720 69.752 1.968 18720 2315 1 6 . 1 1 47 47 ASP N N 47 118.590 118.590 117.948 0.642 18720 2316 1 6 . 1 1 47 47 ASP C C 47 174.390 174.390 175.618 -1.228 18720 2317 1 6 . 1 1 47 47 ASP CA C 47 53.910 53.910 53.908 0.002 18720 2318 1 6 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.064 -0.194 18720 2319 1 6 . 1 1 48 48 VAL N N 48 118.730 118.730 121.062 -2.332 18720 2320 1 6 . 1 1 48 48 VAL C C 48 174.840 174.840 173.908 0.932 18720 2321 1 6 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.666 0.694 18720 2322 1 6 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.078 1.312 18720 2323 1 6 . 1 1 49 49 GLU N N 49 127.180 127.180 128.861 -1.681 18720 2324 1 6 . 1 1 49 49 GLU C C 49 174.140 174.140 175.060 -0.920 18720 2325 1 6 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.094 0.136 18720 2326 1 6 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.267 0.603 18720 2327 1 6 . 1 1 50 50 GLY N N 50 110.640 110.640 112.068 -1.428 18720 2328 1 6 . 1 1 50 50 GLY C C 50 171.360 171.360 171.850 -0.490 18720 2329 1 6 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.014 0.706 18720 2330 1 6 . 1 1 51 51 ALA N N 51 124.800 124.800 121.677 3.123 18720 2331 1 6 . 1 1 51 51 ALA C C 51 174.220 174.220 175.714 -1.494 18720 2332 1 6 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.133 1.538 18720 2333 1 6 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.555 -0.285 18720 2334 1 6 . 1 1 52 52 PHE N N 52 123.680 123.680 125.767 -2.087 18720 2335 1 6 . 1 1 52 52 PHE C C 52 173.650 173.650 173.421 0.229 18720 2336 1 6 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.297 -0.377 18720 2337 1 6 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.430 2.270 18720 2338 1 6 . 1 1 53 53 PHE N N 53 123.690 123.690 126.336 -2.646 18720 2339 1 6 . 1 1 53 53 PHE C C 53 174.760 174.760 174.097 0.663 18720 2340 1 6 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.655 0.865 18720 2341 1 6 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.695 -0.275 18720 2342 1 6 . 1 1 54 54 ILE N N 54 119.970 119.970 121.394 -1.424 18720 2343 1 6 . 1 1 54 54 ILE C C 54 175.240 175.240 174.721 0.519 18720 2344 1 6 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.857 -1.367 18720 2345 1 6 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.462 -0.572 18720 2346 1 6 . 1 1 55 55 TYR N N 55 125.670 125.670 126.659 -0.989 18720 2347 1 6 . 1 1 55 55 TYR C C 55 170.980 170.980 175.028 -4.048 18720 2348 1 6 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.386 0.934 18720 2349 1 6 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.903 2.077 18720 2350 1 6 . 1 1 56 56 HIS N N 56 121.710 121.710 122.622 -0.912 18720 2351 1 6 . 1 1 56 56 HIS C C 56 175.000 175.000 173.540 1.460 18720 2352 1 6 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.620 -1.890 18720 2353 1 6 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.433 -0.133 18720 2354 1 6 . 1 1 57 57 ARG N N 57 126.870 126.870 124.629 2.241 18720 2355 1 6 . 1 1 57 57 ARG C C 57 174.770 174.770 173.970 0.800 18720 2356 1 6 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.803 0.227 18720 2357 1 6 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.669 1.421 18720 2358 1 6 . 1 1 58 58 ASN N N 58 115.660 115.660 119.857 -4.197 18720 2359 1 6 . 1 1 58 58 ASN C C 58 173.540 173.540 174.119 -0.579 18720 2360 1 6 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.321 -0.551 18720 2361 1 6 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.459 1.721 18720 2362 1 6 . 1 1 59 59 ALA N N 59 120.190 120.190 121.144 -0.954 18720 2363 1 6 . 1 1 59 59 ALA C C 59 173.000 173.000 174.875 -1.875 18720 2364 1 6 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.758 -0.418 18720 2365 1 6 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.252 0.628 18720 2366 1 6 . 1 1 60 60 GLU N N 60 117.270 117.270 120.218 -2.948 18720 2367 1 6 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.390 0.120 18720 2368 1 6 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.091 0.579 18720 2369 1 6 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.562 -0.502 18720 2370 1 6 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.324 1.306 18720 2371 1 6 . 1 1 62 62 PHE N N 62 120.680 120.680 119.414 1.266 18720 2372 1 6 . 1 1 62 62 PHE C C 62 174.840 174.840 175.539 -0.699 18720 2373 1 6 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.553 -0.773 18720 2374 1 6 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.601 -0.381 18720 2375 1 6 . 1 1 63 63 HIS N N 63 115.820 115.820 112.797 3.023 18720 2376 1 6 . 1 1 63 63 HIS C C 63 174.540 174.540 174.004 0.536 18720 2377 1 6 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.496 0.494 18720 2378 1 6 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.749 0.581 18720 2379 1 6 . 1 1 64 64 SER N N 64 114.040 114.040 116.149 -2.109 18720 2380 1 6 . 1 1 64 64 SER C C 64 169.620 169.620 172.196 -2.576 18720 2381 1 6 . 1 1 64 64 SER CA C 64 55.980 55.980 57.808 -1.828 18720 2382 1 6 . 1 1 64 64 SER CB C 64 66.770 66.770 65.645 1.125 18720 2383 1 6 . 1 1 65 65 ILE N N 65 125.090 125.090 123.143 1.947 18720 2384 1 6 . 1 1 65 65 ILE C C 65 174.630 174.630 173.838 0.792 18720 2385 1 6 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.540 -0.320 18720 2386 1 6 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.416 0.173 18720 2387 1 6 . 1 1 66 66 PHE N N 66 127.730 127.730 126.450 1.280 18720 2388 1 6 . 1 1 66 66 PHE C C 66 174.680 174.680 172.974 1.706 18720 2389 1 6 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.700 -0.400 18720 2390 1 6 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.206 1.824 18720 2391 1 6 . 1 1 67 67 ILE N N 67 124.780 124.780 124.580 0.200 18720 2392 1 6 . 1 1 67 67 ILE C C 67 174.180 174.180 173.672 0.508 18720 2393 1 6 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.644 0.026 18720 2394 1 6 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.138 -0.418 18720 2395 1 6 . 1 1 68 68 ASN N N 68 124.620 124.620 125.024 -0.404 18720 2396 1 6 . 1 1 68 68 ASN C C 68 174.260 174.260 173.939 0.321 18720 2397 1 6 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.986 -0.916 18720 2398 1 6 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.494 -0.494 18720 2399 1 6 . 1 1 69 69 ASN N N 69 124.120 124.120 125.437 -1.317 18720 2400 1 6 . 1 1 69 69 ASN C C 69 175.740 175.740 176.044 -0.304 18720 2401 1 6 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.728 0.471 18720 2402 1 6 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.772 0.748 18720 2403 1 6 . 1 1 70 70 ARG N N 70 123.310 123.310 126.982 -3.672 18720 2404 1 6 . 1 1 70 70 ARG CA C 70 56.960 56.960 59.088 -2.128 18720 2405 1 6 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.529 0.531 18720 2406 1 6 . 1 1 73 73 THR C C 73 175.310 175.310 173.657 1.653 18720 2407 1 6 . 1 1 73 73 THR CA C 73 62.320 62.320 63.571 -1.251 18720 2408 1 6 . 1 1 73 73 THR CB C 73 69.070 69.070 66.592 2.478 18720 2409 1 6 . 1 1 74 74 THR N N 74 119.010 119.010 117.132 1.878 18720 2410 1 6 . 1 1 74 74 THR C C 74 173.810 173.810 173.776 0.034 18720 2411 1 6 . 1 1 74 74 THR CA C 74 62.700 62.700 61.306 1.394 18720 2412 1 6 . 1 1 74 74 THR CB C 74 69.750 69.750 72.007 -2.257 18720 2413 1 6 . 1 1 75 75 SER N N 75 120.750 120.750 119.372 1.378 18720 2414 1 6 . 1 1 75 75 SER C C 75 172.250 172.250 173.404 -1.154 18720 2415 1 6 . 1 1 75 75 SER CA C 75 58.300 58.300 58.077 0.223 18720 2416 1 6 . 1 1 75 75 SER CB C 75 65.290 65.290 64.181 1.109 18720 2417 1 6 . 1 1 76 76 PHE N N 76 122.090 122.090 127.414 -5.324 18720 2418 1 6 . 1 1 76 76 PHE C C 76 172.040 172.040 172.675 -0.635 18720 2419 1 6 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.499 0.281 18720 2420 1 6 . 1 1 76 76 PHE CB C 76 43.300 43.300 41.682 1.618 18720 2421 1 6 . 1 1 77 77 VAL N N 77 124.490 124.490 126.317 -1.827 18720 2422 1 6 . 1 1 77 77 VAL C C 77 174.390 174.390 174.293 0.097 18720 2423 1 6 . 1 1 77 77 VAL CA C 77 59.740 59.740 60.387 -0.647 18720 2424 1 6 . 1 1 77 77 VAL CB C 77 35.610 35.610 34.998 0.612 18720 2425 1 6 . 1 1 78 78 GLU N N 78 125.760 125.760 125.452 0.308 18720 2426 1 6 . 1 1 78 78 GLU CA C 78 52.120 52.120 53.142 -1.022 18720 2427 1 6 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.148 0.642 18720 2428 1 6 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.307 0.463 18720 2429 1 6 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.766 -0.206 18720 2430 1 6 . 1 1 80 80 ILE N N 80 123.190 123.190 123.558 -0.368 18720 2431 1 6 . 1 1 80 80 ILE C C 80 174.250 174.250 175.772 -1.522 18720 2432 1 6 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.302 0.118 18720 2433 1 6 . 1 1 80 80 ILE CB C 80 36.640 36.640 37.645 -1.005 18720 2434 1 6 . 1 1 81 81 THR N N 81 115.840 115.840 118.626 -2.786 18720 2435 1 6 . 1 1 81 81 THR C C 81 174.140 174.140 175.606 -1.466 18720 2436 1 6 . 1 1 81 81 THR CA C 81 59.500 59.500 60.624 -1.125 18720 2437 1 6 . 1 1 81 81 THR CB C 81 71.030 71.030 70.892 0.138 18720 2438 1 6 . 1 1 82 82 GLY N N 82 128.890 128.890 109.104 19.786 18720 2439 1 6 . 1 1 82 82 GLY C C 82 176.630 176.630 174.924 1.706 18720 2440 1 6 . 1 1 82 82 GLY CA C 82 46.420 46.420 44.643 1.777 18720 2441 1 6 . 1 1 83 83 SER N N 83 113.780 113.780 115.316 -1.536 18720 2442 1 6 . 1 1 83 83 SER C C 83 173.410 173.410 174.857 -1.447 18720 2443 1 6 . 1 1 83 83 SER CA C 83 57.840 57.840 58.385 -0.545 18720 2444 1 6 . 1 1 83 83 SER CB C 83 63.480 63.480 63.997 -0.517 18720 2445 1 6 . 1 1 84 84 LEU N N 84 123.770 123.770 123.357 0.413 18720 2446 1 6 . 1 1 84 84 LEU C C 84 175.350 175.350 175.942 -0.592 18720 2447 1 6 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.203 0.927 18720 2448 1 6 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.547 0.143 18720 2449 1 6 . 1 1 85 85 GLU N N 85 124.380 124.380 123.093 1.287 18720 2450 1 6 . 1 1 85 85 GLU C C 85 174.280 174.280 174.919 -0.639 18720 2451 1 6 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.286 -0.416 18720 2452 1 6 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.003 1.417 18720 2453 1 6 . 1 1 86 86 LEU N N 86 121.400 121.400 124.539 -3.139 18720 2454 1 6 . 1 1 86 86 LEU C C 86 177.240 177.240 176.926 0.314 18720 2455 1 6 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.826 0.664 18720 2456 1 6 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.284 1.836 18720 2457 1 6 . 1 1 87 87 GLN N N 87 121.690 121.690 119.441 2.249 18720 2458 1 6 . 1 1 87 87 GLN C C 87 173.460 173.460 174.033 -0.573 18720 2459 1 6 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.639 1.440 18720 2460 1 6 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.238 -1.468 18720 2461 1 6 . 1 1 88 88 SER N N 88 120.000 120.000 117.744 2.256 18720 2462 1 6 . 1 1 88 88 SER C C 88 174.930 174.930 173.647 1.283 18720 2463 1 6 . 1 1 88 88 SER CA C 88 57.540 57.540 57.781 -0.241 18720 2464 1 6 . 1 1 88 88 SER CB C 88 63.750 63.750 63.080 0.670 18720 2465 1 6 . 1 1 89 89 GLN N N 89 129.170 129.170 127.064 2.106 18720 2466 1 6 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.581 1.039 18720 2467 1 6 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.183 0.317 18720 2468 1 6 . 1 1 93 93 LEU C C 93 173.810 173.810 174.770 -0.960 18720 2469 1 6 . 1 1 93 93 LEU CA C 93 53.890 53.890 54.085 -0.195 18720 2470 1 6 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.361 0.429 18720 2471 1 6 . 1 1 94 94 LEU N N 94 125.950 125.950 128.010 -2.060 18720 2472 1 6 . 1 1 94 94 LEU C C 94 175.680 175.680 174.333 1.347 18720 2473 1 6 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.999 0.971 18720 2474 1 6 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.287 -2.007 18720 2475 1 6 . 1 1 95 95 TYR N N 95 118.250 118.250 120.768 -2.518 18720 2476 1 6 . 1 1 95 95 TYR C C 95 171.830 171.830 173.330 -1.500 18720 2477 1 6 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.836 1.284 18720 2478 1 6 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.263 0.347 18720 2479 1 6 . 1 1 96 96 ARG N N 96 114.570 114.570 119.441 -4.871 18720 2480 1 6 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.790 -1.590 18720 2481 1 6 . 1 1 96 96 ARG CB C 96 32.980 32.980 33.072 -0.092 18720 2482 1 6 . 1 1 99 99 ARG C C 99 175.470 175.470 175.060 0.410 18720 2483 1 6 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.098 1.282 18720 2484 1 6 . 1 1 100 100 SER N N 100 110.460 110.460 109.431 1.029 18720 2485 1 6 . 1 1 100 100 SER C C 100 173.620 173.620 174.069 -0.449 18720 2486 1 6 . 1 1 100 100 SER CA C 100 59.570 59.570 59.618 -0.048 18720 2487 1 6 . 1 1 100 100 SER CB C 100 62.640 62.640 62.352 0.288 18720 2488 1 6 . 1 1 101 101 ARG N N 101 119.500 119.500 119.248 0.252 18720 2489 1 6 . 1 1 101 101 ARG C C 101 174.900 174.900 174.910 -0.010 18720 2490 1 6 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.353 0.157 18720 2491 1 6 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.435 -1.965 18720 2492 1 6 . 1 1 102 102 ILE N N 102 124.730 124.730 122.523 2.207 18720 2493 1 6 . 1 1 102 102 ILE C C 102 175.360 175.360 174.864 0.496 18720 2494 1 6 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.704 0.966 18720 2495 1 6 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.095 -0.365 18720 2496 1 6 . 1 1 103 103 ARG N N 103 130.770 130.770 125.537 5.233 18720 2497 1 6 . 1 1 103 103 ARG C C 103 173.480 173.480 174.762 -1.282 18720 2498 1 6 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.461 0.369 18720 2499 1 6 . 1 1 103 103 ARG CB C 103 36.290 36.290 35.038 1.252 18720 2500 1 6 . 1 1 104 104 GLY N N 104 128.260 128.260 108.392 19.868 18720 2501 1 6 . 1 1 104 104 GLY C C 104 170.890 170.890 172.391 -1.501 18720 2502 1 6 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.659 1.781 18720 2503 1 6 . 1 1 105 105 PHE N N 105 118.120 118.120 118.938 -0.818 18720 2504 1 6 . 1 1 105 105 PHE C C 105 173.920 173.920 173.616 0.304 18720 2505 1 6 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.212 -1.552 18720 2506 1 6 . 1 1 105 105 PHE CB C 105 43.220 43.220 44.106 -0.886 18720 2507 1 6 . 1 1 106 106 TRP N N 106 124.290 124.290 124.209 0.081 18720 2508 1 6 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.184 0.226 18720 2509 1 6 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.208 -0.328 18720 2510 1 6 . 1 1 110 110 SER C C 110 175.240 175.240 175.901 -0.661 18720 2511 1 6 . 1 1 110 110 SER CA C 110 62.920 62.920 61.059 1.861 18720 2512 1 6 . 1 1 110 110 SER CB C 110 64.980 64.980 63.247 1.733 18720 2513 1 6 . 1 1 111 111 GLU N N 111 122.310 122.310 119.744 2.566 18720 2514 1 6 . 1 1 111 111 GLU C C 111 179.150 179.150 178.645 0.505 18720 2515 1 6 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.234 0.306 18720 2516 1 6 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.231 -0.661 18720 2517 1 6 . 1 1 112 112 GLU N N 112 118.920 118.920 120.249 -1.329 18720 2518 1 6 . 1 1 112 112 GLU C C 112 176.360 176.360 178.520 -2.160 18720 2519 1 6 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.151 -1.071 18720 2520 1 6 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.536 0.704 18720 2521 1 6 . 1 1 113 113 CYS N N 113 117.090 117.090 117.419 -0.329 18720 2522 1 6 . 1 1 113 113 CYS C C 113 176.110 176.110 176.277 -0.167 18720 2523 1 6 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.508 -1.008 18720 2524 1 6 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.238 0.562 18720 2525 1 6 . 1 1 114 114 ASP N N 114 118.820 118.820 120.344 -1.524 18720 2526 1 6 . 1 1 114 114 ASP C C 114 178.460 178.460 178.842 -0.382 18720 2527 1 6 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.422 -0.082 18720 2528 1 6 . 1 1 114 114 ASP CB C 114 41.070 41.070 39.990 1.080 18720 2529 1 6 . 1 1 115 115 ARG N N 115 120.870 120.870 119.255 1.615 18720 2530 1 6 . 1 1 115 115 ARG C C 115 179.440 179.440 178.742 0.698 18720 2531 1 6 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.423 0.227 18720 2532 1 6 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.094 0.606 18720 2533 1 6 . 1 1 116 116 ILE N N 116 119.500 119.500 119.532 -0.032 18720 2534 1 6 . 1 1 116 116 ILE C C 116 177.680 177.680 177.966 -0.286 18720 2535 1 6 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.722 -1.782 18720 2536 1 6 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.610 -1.890 18720 2537 1 6 . 1 1 117 117 SER N N 117 115.890 115.890 115.656 0.234 18720 2538 1 6 . 1 1 117 117 SER C C 117 176.720 176.720 177.035 -0.315 18720 2539 1 6 . 1 1 117 117 SER CA C 117 62.630 62.630 61.840 0.790 18720 2540 1 6 . 1 1 117 117 SER CB C 117 62.660 62.660 62.777 -0.117 18720 2541 1 6 . 1 1 118 118 GLY N N 118 130.780 130.780 110.708 20.072 18720 2542 1 6 . 1 1 118 118 GLY C C 118 176.570 176.570 175.866 0.704 18720 2543 1 6 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.043 0.047 18720 2544 1 6 . 1 1 119 119 LEU N N 119 124.450 124.450 122.680 1.770 18720 2545 1 6 . 1 1 119 119 LEU C C 119 179.470 179.470 178.915 0.555 18720 2546 1 6 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.835 -0.025 18720 2547 1 6 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.849 0.461 18720 2548 1 6 . 1 1 120 120 VAL N N 120 119.140 119.140 119.005 0.135 18720 2549 1 6 . 1 1 120 120 VAL C C 120 177.380 177.380 177.809 -0.429 18720 2550 1 6 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.923 0.507 18720 2551 1 6 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.337 -0.467 18720 2552 1 6 . 1 1 121 121 ASN N N 121 116.650 116.650 118.452 -1.802 18720 2553 1 6 . 1 1 121 121 ASN C C 121 178.330 178.330 177.648 0.682 18720 2554 1 6 . 1 1 121 121 ASN CA C 121 56.670 56.670 57.032 -0.362 18720 2555 1 6 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.982 0.578 18720 2556 1 6 . 1 1 122 122 GLY N N 122 129.450 129.450 108.682 20.768 18720 2557 1 6 . 1 1 122 122 GLY C C 122 176.190 176.190 175.807 0.383 18720 2558 1 6 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.880 -0.100 18720 2559 1 6 . 1 1 123 123 LEU N N 123 121.510 121.510 122.329 -0.819 18720 2560 1 6 . 1 1 123 123 LEU C C 123 179.060 179.060 178.859 0.201 18720 2561 1 6 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.202 -0.812 18720 2562 1 6 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.727 -0.137 18720 2563 1 6 . 1 1 124 124 LEU N N 124 119.080 119.080 116.917 2.163 18720 2564 1 6 . 1 1 124 124 LEU C C 124 177.880 177.880 178.816 -0.936 18720 2565 1 6 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.367 -1.087 18720 2566 1 6 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.861 0.439 18720 2567 1 6 . 1 1 125 125 LYS N N 125 118.600 118.600 115.462 3.138 18720 2568 1 6 . 1 1 125 125 LYS C C 125 176.540 176.540 177.140 -0.600 18720 2569 1 6 . 1 1 125 125 LYS CA C 125 56.470 56.470 58.197 -1.727 18720 2570 1 6 . 1 1 125 125 LYS CB C 125 32.730 32.730 33.102 -0.373 18720 2571 1 6 . 1 1 126 126 SER N N 126 116.570 116.570 114.046 2.524 18720 2572 1 6 . 1 1 126 126 SER C C 126 173.590 173.590 172.678 0.912 18720 2573 1 6 . 1 1 126 126 SER CA C 126 58.550 58.550 57.074 1.476 18720 2574 1 6 . 1 1 126 126 SER CB C 126 63.880 63.880 64.534 -0.653 18720 2575 1 7 . 1 1 2 2 ALA N N 2 123.960 123.960 124.639 -0.679 18720 2576 1 7 . 1 1 2 2 ALA C C 2 177.620 177.620 176.512 1.108 18720 2577 1 7 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.482 1.428 18720 2578 1 7 . 1 1 2 2 ALA CB C 2 19.050 19.050 20.361 -1.311 18720 2579 1 7 . 1 1 3 3 ASP N N 3 119.570 119.570 121.814 -2.244 18720 2580 1 7 . 1 1 3 3 ASP C C 3 177.150 177.150 175.871 1.279 18720 2581 1 7 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.938 0.862 18720 2582 1 7 . 1 1 3 3 ASP CB C 3 41.610 41.610 42.745 -1.135 18720 2583 1 7 . 1 1 4 4 GLU N N 4 123.110 123.110 126.417 -3.307 18720 2584 1 7 . 1 1 4 4 GLU C C 4 177.710 177.710 177.350 0.360 18720 2585 1 7 . 1 1 4 4 GLU CA C 4 58.390 58.390 58.815 -0.425 18720 2586 1 7 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.950 -0.150 18720 2587 1 7 . 1 1 5 5 SER N N 5 116.020 116.020 115.647 0.373 18720 2588 1 7 . 1 1 5 5 SER CA C 5 60.870 60.870 61.160 -0.290 18720 2589 1 7 . 1 1 5 5 SER CB C 5 62.940 62.940 62.966 -0.026 18720 2590 1 7 . 1 1 6 6 ILE N N 6 123.790 123.790 121.366 2.424 18720 2591 1 7 . 1 1 6 6 ILE C C 6 178.180 178.180 177.972 0.208 18720 2592 1 7 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.731 -0.061 18720 2593 1 7 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.685 0.975 18720 2594 1 7 . 1 1 7 7 THR N N 7 117.450 117.450 116.310 1.140 18720 2595 1 7 . 1 1 7 7 THR C C 7 176.030 176.030 176.634 -0.604 18720 2596 1 7 . 1 1 7 7 THR CA C 7 66.370 66.370 66.997 -0.627 18720 2597 1 7 . 1 1 7 7 THR CB C 7 68.640 68.640 68.388 0.252 18720 2598 1 7 . 1 1 8 8 ARG N N 8 120.770 120.770 121.645 -0.875 18720 2599 1 7 . 1 1 8 8 ARG C C 8 179.040 179.040 178.362 0.678 18720 2600 1 7 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.947 -0.557 18720 2601 1 7 . 1 1 8 8 ARG CB C 8 29.990 29.990 30.170 -0.180 18720 2602 1 7 . 1 1 9 9 MET N N 9 119.840 119.840 118.245 1.595 18720 2603 1 7 . 1 1 9 9 MET C C 9 178.760 178.760 178.458 0.302 18720 2604 1 7 . 1 1 9 9 MET CA C 9 58.240 58.240 59.455 -1.215 18720 2605 1 7 . 1 1 9 9 MET CB C 9 31.970 31.970 32.258 -0.288 18720 2606 1 7 . 1 1 10 10 ASN N N 10 120.190 120.190 118.666 1.524 18720 2607 1 7 . 1 1 10 10 ASN C C 10 176.660 176.660 177.772 -1.112 18720 2608 1 7 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.020 -0.380 18720 2609 1 7 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.305 0.005 18720 2610 1 7 . 1 1 11 11 LEU N N 11 121.490 121.490 121.299 0.191 18720 2611 1 7 . 1 1 11 11 LEU C C 11 177.690 177.690 177.905 -0.215 18720 2612 1 7 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.760 -0.370 18720 2613 1 7 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.575 -0.595 18720 2614 1 7 . 1 1 12 12 ALA N N 12 120.380 120.380 121.688 -1.308 18720 2615 1 7 . 1 1 12 12 ALA C C 12 179.910 179.910 179.410 0.500 18720 2616 1 7 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.088 -0.198 18720 2617 1 7 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.902 -0.342 18720 2618 1 7 . 1 1 13 13 ALA N N 13 119.960 119.960 121.077 -1.117 18720 2619 1 7 . 1 1 13 13 ALA C C 13 179.740 179.740 179.981 -0.241 18720 2620 1 7 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.626 0.204 18720 2621 1 7 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.225 -0.705 18720 2622 1 7 . 1 1 14 14 ILE N N 14 118.040 118.040 119.747 -1.707 18720 2623 1 7 . 1 1 14 14 ILE C C 14 178.220 178.220 177.689 0.531 18720 2624 1 7 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.073 -0.713 18720 2625 1 7 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.250 -0.110 18720 2626 1 7 . 1 1 15 15 LYS N N 15 118.740 118.740 117.400 1.340 18720 2627 1 7 . 1 1 15 15 LYS C C 15 177.440 177.440 178.708 -1.268 18720 2628 1 7 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.597 -0.777 18720 2629 1 7 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.847 1.043 18720 2630 1 7 . 1 1 16 16 LYS N N 16 115.750 115.750 119.242 -3.492 18720 2631 1 7 . 1 1 16 16 LYS C C 16 177.060 177.060 177.536 -0.476 18720 2632 1 7 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.735 -0.175 18720 2633 1 7 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.450 0.140 18720 2634 1 7 . 1 1 17 17 ILE N N 17 115.830 115.830 114.425 1.405 18720 2635 1 7 . 1 1 17 17 ILE C C 17 175.500 175.500 175.960 -0.460 18720 2636 1 7 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.490 -1.050 18720 2637 1 7 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.050 -0.090 18720 2638 1 7 . 1 1 18 18 ASP N N 18 119.320 119.320 122.029 -2.709 18720 2639 1 7 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.385 -0.645 18720 2640 1 7 . 1 1 18 18 ASP CB C 18 40.710 40.710 42.011 -1.301 18720 2641 1 7 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.173 -0.573 18720 2642 1 7 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.895 0.115 18720 2643 1 7 . 1 1 20 20 TYR N N 20 115.540 115.540 112.737 2.803 18720 2644 1 7 . 1 1 20 20 TYR C C 20 175.350 175.350 174.636 0.714 18720 2645 1 7 . 1 1 20 20 TYR CA C 20 57.810 57.810 54.792 3.018 18720 2646 1 7 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.797 0.343 18720 2647 1 7 . 1 1 21 21 ALA N N 21 122.720 122.720 123.601 -0.881 18720 2648 1 7 . 1 1 21 21 ALA C C 21 175.410 175.410 176.167 -0.757 18720 2649 1 7 . 1 1 21 21 ALA CA C 21 54.330 54.330 50.951 3.379 18720 2650 1 7 . 1 1 21 21 ALA CB C 21 20.690 20.690 18.900 1.790 18720 2651 1 7 . 1 1 22 22 LYS N N 22 121.370 121.370 122.871 -1.501 18720 2652 1 7 . 1 1 22 22 LYS C C 22 175.400 175.400 176.382 -0.982 18720 2653 1 7 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.653 0.167 18720 2654 1 7 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.295 1.565 18720 2655 1 7 . 1 1 23 23 GLU N N 23 113.820 113.820 119.918 -6.098 18720 2656 1 7 . 1 1 23 23 GLU C C 23 174.470 174.470 174.415 0.055 18720 2657 1 7 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.025 0.305 18720 2658 1 7 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.740 0.300 18720 2659 1 7 . 1 1 24 24 ILE N N 24 125.650 125.650 125.712 -0.062 18720 2660 1 7 . 1 1 24 24 ILE C C 24 175.360 175.360 176.214 -0.854 18720 2661 1 7 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.507 1.263 18720 2662 1 7 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.073 -0.463 18720 2663 1 7 . 1 1 25 25 VAL N N 25 127.290 127.290 127.295 -0.005 18720 2664 1 7 . 1 1 25 25 VAL C C 25 175.240 175.240 176.190 -0.950 18720 2665 1 7 . 1 1 25 25 VAL CA C 25 63.620 63.620 63.362 0.258 18720 2666 1 7 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.561 0.779 18720 2667 1 7 . 1 1 26 26 ASP N N 26 117.410 117.410 117.808 -0.398 18720 2668 1 7 . 1 1 26 26 ASP C C 26 174.000 174.000 174.038 -0.038 18720 2669 1 7 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.677 -0.647 18720 2670 1 7 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.579 0.131 18720 2671 1 7 . 1 1 27 27 SER N N 27 115.600 115.600 117.243 -1.643 18720 2672 1 7 . 1 1 27 27 SER C C 27 172.420 172.420 172.998 -0.578 18720 2673 1 7 . 1 1 27 27 SER CA C 27 57.200 57.200 56.833 0.367 18720 2674 1 7 . 1 1 27 27 SER CB C 27 67.230 67.230 65.869 1.361 18720 2675 1 7 . 1 1 28 28 SER N N 28 113.820 113.820 119.667 -5.847 18720 2676 1 7 . 1 1 28 28 SER C C 28 176.140 176.140 175.901 0.239 18720 2677 1 7 . 1 1 28 28 SER CA C 28 57.840 57.840 55.595 2.245 18720 2678 1 7 . 1 1 28 28 SER CB C 28 65.830 65.830 65.293 0.537 18720 2679 1 7 . 1 1 29 29 SER N N 29 121.670 121.670 123.789 -2.119 18720 2680 1 7 . 1 1 29 29 SER CA C 29 61.900 61.900 60.841 1.059 18720 2681 1 7 . 1 1 29 29 SER CB C 29 63.720 63.720 63.657 0.063 18720 2682 1 7 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.364 0.267 18720 2683 1 7 . 1 1 31 31 VAL N N 31 127.450 127.450 125.725 1.725 18720 2684 1 7 . 1 1 31 31 VAL C C 31 173.480 173.480 173.250 0.230 18720 2685 1 7 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.717 -0.387 18720 2686 1 7 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.603 -0.063 18720 2687 1 7 . 1 1 32 32 ALA N N 32 125.580 125.580 126.444 -0.864 18720 2688 1 7 . 1 1 32 32 ALA C C 32 175.260 175.260 175.140 0.120 18720 2689 1 7 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.902 0.908 18720 2690 1 7 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.172 -0.151 18720 2691 1 7 . 1 1 33 33 PHE N N 33 123.530 123.530 122.836 0.694 18720 2692 1 7 . 1 1 33 33 PHE C C 33 174.210 174.210 173.436 0.774 18720 2693 1 7 . 1 1 33 33 PHE CA C 33 56.050 56.050 54.744 1.306 18720 2694 1 7 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.065 -0.045 18720 2695 1 7 . 1 1 34 34 TYR N N 34 130.040 130.040 127.238 2.802 18720 2696 1 7 . 1 1 34 34 TYR C C 34 173.300 173.300 174.778 -1.478 18720 2697 1 7 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.872 0.628 18720 2698 1 7 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.944 1.206 18720 2699 1 7 . 1 1 35 35 THR N N 35 109.080 109.080 118.021 -8.941 18720 2700 1 7 . 1 1 35 35 THR C C 35 172.150 172.150 172.615 -0.465 18720 2701 1 7 . 1 1 35 35 THR CA C 35 59.670 59.670 61.520 -1.849 18720 2702 1 7 . 1 1 35 35 THR CB C 35 70.820 70.820 71.394 -0.574 18720 2703 1 7 . 1 1 36 36 PHE N N 36 126.090 126.090 125.973 0.117 18720 2704 1 7 . 1 1 36 36 PHE C C 36 173.570 173.570 173.584 -0.014 18720 2705 1 7 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.237 1.673 18720 2706 1 7 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.085 -2.315 18720 2707 1 7 . 1 1 37 37 ASN N N 37 128.500 128.500 125.767 2.733 18720 2708 1 7 . 1 1 37 37 ASN C C 37 175.280 175.280 174.696 0.584 18720 2709 1 7 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.781 -0.251 18720 2710 1 7 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.360 -1.630 18720 2711 1 7 . 1 1 38 38 SER N N 38 121.880 121.880 122.120 -0.240 18720 2712 1 7 . 1 1 38 38 SER CB C 38 63.050 63.050 63.391 -0.341 18720 2713 1 7 . 1 1 39 39 SER C C 39 175.410 175.410 175.606 -0.196 18720 2714 1 7 . 1 1 39 39 SER CA C 39 61.020 61.020 61.214 -0.194 18720 2715 1 7 . 1 1 39 39 SER CB C 39 62.700 62.700 63.269 -0.569 18720 2716 1 7 . 1 1 40 40 GLN N N 40 117.370 117.370 118.843 -1.473 18720 2717 1 7 . 1 1 40 40 GLN C C 40 174.910 174.910 175.802 -0.892 18720 2718 1 7 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.700 -0.900 18720 2719 1 7 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.466 0.344 18720 2720 1 7 . 1 1 41 41 ASN N N 41 118.400 118.400 116.412 1.988 18720 2721 1 7 . 1 1 41 41 ASN C C 41 173.240 173.240 173.436 -0.196 18720 2722 1 7 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.066 0.134 18720 2723 1 7 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.740 -0.100 18720 2724 1 7 . 1 1 42 42 GLU N N 42 112.910 112.910 117.307 -4.397 18720 2725 1 7 . 1 1 42 42 GLU C C 42 174.620 174.620 174.503 0.117 18720 2726 1 7 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.740 -0.630 18720 2727 1 7 . 1 1 42 42 GLU CB C 42 34.450 34.450 32.661 1.789 18720 2728 1 7 . 1 1 43 43 TRP N N 43 123.140 123.140 122.699 0.441 18720 2729 1 7 . 1 1 43 43 TRP C C 43 175.850 175.850 176.517 -0.667 18720 2730 1 7 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.323 0.317 18720 2731 1 7 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.728 0.882 18720 2732 1 7 . 1 1 44 44 GLU N N 44 120.660 120.660 123.685 -3.025 18720 2733 1 7 . 1 1 44 44 GLU C C 44 175.030 175.030 175.428 -0.398 18720 2734 1 7 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.656 0.464 18720 2735 1 7 . 1 1 44 44 GLU CB C 44 32.110 32.110 33.258 -1.148 18720 2736 1 7 . 1 1 45 45 LYS N N 45 123.100 123.100 124.943 -1.843 18720 2737 1 7 . 1 1 45 45 LYS C C 45 176.810 176.810 176.483 0.327 18720 2738 1 7 . 1 1 45 45 LYS CA C 45 56.960 56.960 55.897 1.063 18720 2739 1 7 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.529 0.811 18720 2740 1 7 . 1 1 46 46 THR N N 46 114.570 114.570 115.844 -1.274 18720 2741 1 7 . 1 1 46 46 THR C C 46 174.130 174.130 174.653 -0.523 18720 2742 1 7 . 1 1 46 46 THR CA C 46 61.720 61.720 60.677 1.043 18720 2743 1 7 . 1 1 46 46 THR CB C 46 71.720 71.720 69.617 2.103 18720 2744 1 7 . 1 1 47 47 ASP N N 47 118.590 118.590 119.316 -0.726 18720 2745 1 7 . 1 1 47 47 ASP C C 47 174.390 174.390 175.711 -1.321 18720 2746 1 7 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.581 -0.671 18720 2747 1 7 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.356 -0.486 18720 2748 1 7 . 1 1 48 48 VAL N N 48 118.730 118.730 120.962 -2.232 18720 2749 1 7 . 1 1 48 48 VAL C C 48 174.840 174.840 173.682 1.158 18720 2750 1 7 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.765 0.595 18720 2751 1 7 . 1 1 48 48 VAL CB C 48 32.390 32.390 32.457 -0.067 18720 2752 1 7 . 1 1 49 49 GLU N N 49 127.180 127.180 128.364 -1.184 18720 2753 1 7 . 1 1 49 49 GLU C C 49 174.140 174.140 175.263 -1.123 18720 2754 1 7 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.073 0.157 18720 2755 1 7 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.417 0.453 18720 2756 1 7 . 1 1 50 50 GLY N N 50 110.640 110.640 112.104 -1.464 18720 2757 1 7 . 1 1 50 50 GLY C C 50 171.360 171.360 171.904 -0.544 18720 2758 1 7 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.019 0.701 18720 2759 1 7 . 1 1 51 51 ALA N N 51 124.800 124.800 121.752 3.048 18720 2760 1 7 . 1 1 51 51 ALA C C 51 174.220 174.220 175.737 -1.517 18720 2761 1 7 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.222 1.448 18720 2762 1 7 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.451 -0.181 18720 2763 1 7 . 1 1 52 52 PHE N N 52 123.680 123.680 125.908 -2.228 18720 2764 1 7 . 1 1 52 52 PHE C C 52 173.650 173.650 173.348 0.302 18720 2765 1 7 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.146 -0.226 18720 2766 1 7 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.316 2.384 18720 2767 1 7 . 1 1 53 53 PHE N N 53 123.690 123.690 126.427 -2.737 18720 2768 1 7 . 1 1 53 53 PHE C C 53 174.760 174.760 174.007 0.753 18720 2769 1 7 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.488 1.032 18720 2770 1 7 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.547 -0.127 18720 2771 1 7 . 1 1 54 54 ILE N N 54 119.970 119.970 121.349 -1.379 18720 2772 1 7 . 1 1 54 54 ILE C C 54 175.240 175.240 174.652 0.588 18720 2773 1 7 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.746 -1.256 18720 2774 1 7 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.331 -0.441 18720 2775 1 7 . 1 1 55 55 TYR N N 55 125.670 125.670 126.625 -0.955 18720 2776 1 7 . 1 1 55 55 TYR C C 55 170.980 170.980 175.028 -4.048 18720 2777 1 7 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.512 0.808 18720 2778 1 7 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.816 2.163 18720 2779 1 7 . 1 1 56 56 HIS N N 56 121.710 121.710 122.719 -1.009 18720 2780 1 7 . 1 1 56 56 HIS C C 56 175.000 175.000 173.583 1.417 18720 2781 1 7 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.812 -2.083 18720 2782 1 7 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.487 -0.188 18720 2783 1 7 . 1 1 57 57 ARG N N 57 126.870 126.870 123.215 3.655 18720 2784 1 7 . 1 1 57 57 ARG C C 57 174.770 174.770 174.399 0.371 18720 2785 1 7 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.367 0.663 18720 2786 1 7 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.259 1.831 18720 2787 1 7 . 1 1 58 58 ASN N N 58 115.660 115.660 122.306 -6.646 18720 2788 1 7 . 1 1 58 58 ASN C C 58 173.540 173.540 173.993 -0.453 18720 2789 1 7 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.423 -0.653 18720 2790 1 7 . 1 1 58 58 ASN CB C 58 39.180 39.180 38.283 0.897 18720 2791 1 7 . 1 1 59 59 ALA N N 59 120.190 120.190 121.103 -0.913 18720 2792 1 7 . 1 1 59 59 ALA C C 59 173.000 173.000 174.694 -1.694 18720 2793 1 7 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.717 -0.377 18720 2794 1 7 . 1 1 59 59 ALA CB C 59 21.880 21.880 20.956 0.924 18720 2795 1 7 . 1 1 60 60 GLU N N 60 117.270 117.270 119.236 -1.966 18720 2796 1 7 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.230 0.280 18720 2797 1 7 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.669 0.000 18720 2798 1 7 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.412 -0.352 18720 2799 1 7 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.583 1.047 18720 2800 1 7 . 1 1 62 62 PHE N N 62 120.680 120.680 119.561 1.119 18720 2801 1 7 . 1 1 62 62 PHE C C 62 174.840 174.840 175.615 -0.775 18720 2802 1 7 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.741 -0.961 18720 2803 1 7 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.811 -0.591 18720 2804 1 7 . 1 1 63 63 HIS N N 63 115.820 115.820 112.906 2.914 18720 2805 1 7 . 1 1 63 63 HIS C C 63 174.540 174.540 173.886 0.654 18720 2806 1 7 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.575 0.415 18720 2807 1 7 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.588 0.742 18720 2808 1 7 . 1 1 64 64 SER N N 64 114.040 114.040 116.718 -2.678 18720 2809 1 7 . 1 1 64 64 SER C C 64 169.620 169.620 172.139 -2.519 18720 2810 1 7 . 1 1 64 64 SER CA C 64 55.980 55.980 57.581 -1.601 18720 2811 1 7 . 1 1 64 64 SER CB C 64 66.770 66.770 65.576 1.194 18720 2812 1 7 . 1 1 65 65 ILE N N 65 125.090 125.090 122.828 2.262 18720 2813 1 7 . 1 1 65 65 ILE C C 65 174.630 174.630 173.787 0.843 18720 2814 1 7 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.417 -0.197 18720 2815 1 7 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.659 -0.069 18720 2816 1 7 . 1 1 66 66 PHE N N 66 127.730 127.730 126.708 1.022 18720 2817 1 7 . 1 1 66 66 PHE C C 66 174.680 174.680 173.004 1.676 18720 2818 1 7 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.732 -0.432 18720 2819 1 7 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.448 1.582 18720 2820 1 7 . 1 1 67 67 ILE N N 67 124.780 124.780 124.508 0.272 18720 2821 1 7 . 1 1 67 67 ILE C C 67 174.180 174.180 173.762 0.418 18720 2822 1 7 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.628 0.042 18720 2823 1 7 . 1 1 67 67 ILE CB C 67 40.720 40.720 40.991 -0.271 18720 2824 1 7 . 1 1 68 68 ASN N N 68 124.620 124.620 125.050 -0.430 18720 2825 1 7 . 1 1 68 68 ASN C C 68 174.260 174.260 174.088 0.172 18720 2826 1 7 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.982 -0.912 18720 2827 1 7 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.478 -0.478 18720 2828 1 7 . 1 1 69 69 ASN N N 69 124.120 124.120 125.546 -1.426 18720 2829 1 7 . 1 1 69 69 ASN C C 69 175.740 175.740 175.720 0.020 18720 2830 1 7 . 1 1 69 69 ASN CA C 69 53.200 53.200 53.015 0.185 18720 2831 1 7 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.926 0.594 18720 2832 1 7 . 1 1 70 70 ARG N N 70 123.310 123.310 127.996 -4.686 18720 2833 1 7 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.738 -1.778 18720 2834 1 7 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.604 0.456 18720 2835 1 7 . 1 1 73 73 THR C C 73 175.310 175.310 173.418 1.892 18720 2836 1 7 . 1 1 73 73 THR CA C 73 62.320 62.320 64.058 -1.738 18720 2837 1 7 . 1 1 73 73 THR CB C 73 69.070 69.070 66.491 2.579 18720 2838 1 7 . 1 1 74 74 THR N N 74 119.010 119.010 116.055 2.955 18720 2839 1 7 . 1 1 74 74 THR C C 74 173.810 173.810 173.065 0.745 18720 2840 1 7 . 1 1 74 74 THR CA C 74 62.700 62.700 61.009 1.691 18720 2841 1 7 . 1 1 74 74 THR CB C 74 69.750 69.750 72.321 -2.571 18720 2842 1 7 . 1 1 75 75 SER N N 75 120.750 120.750 118.756 1.994 18720 2843 1 7 . 1 1 75 75 SER C C 75 172.250 172.250 173.563 -1.313 18720 2844 1 7 . 1 1 75 75 SER CA C 75 58.300 58.300 57.743 0.557 18720 2845 1 7 . 1 1 75 75 SER CB C 75 65.290 65.290 64.729 0.561 18720 2846 1 7 . 1 1 76 76 PHE N N 76 122.090 122.090 126.561 -4.471 18720 2847 1 7 . 1 1 76 76 PHE C C 76 172.040 172.040 172.756 -0.716 18720 2848 1 7 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.515 0.265 18720 2849 1 7 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.551 0.749 18720 2850 1 7 . 1 1 77 77 VAL N N 77 124.490 124.490 126.255 -1.765 18720 2851 1 7 . 1 1 77 77 VAL C C 77 174.390 174.390 173.563 0.827 18720 2852 1 7 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.442 0.298 18720 2853 1 7 . 1 1 77 77 VAL CB C 77 35.610 35.610 34.823 0.787 18720 2854 1 7 . 1 1 78 78 GLU N N 78 125.760 125.760 126.909 -1.149 18720 2855 1 7 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.804 -0.684 18720 2856 1 7 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.276 0.514 18720 2857 1 7 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.453 0.317 18720 2858 1 7 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.708 -0.148 18720 2859 1 7 . 1 1 80 80 ILE N N 80 123.190 123.190 122.004 1.186 18720 2860 1 7 . 1 1 80 80 ILE C C 80 174.250 174.250 176.079 -1.829 18720 2861 1 7 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.778 -0.358 18720 2862 1 7 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.422 -1.782 18720 2863 1 7 . 1 1 81 81 THR N N 81 115.840 115.840 116.658 -0.818 18720 2864 1 7 . 1 1 81 81 THR C C 81 174.140 174.140 175.168 -1.028 18720 2865 1 7 . 1 1 81 81 THR CA C 81 59.500 59.500 60.284 -0.784 18720 2866 1 7 . 1 1 81 81 THR CB C 81 71.030 71.030 71.564 -0.534 18720 2867 1 7 . 1 1 82 82 GLY N N 82 128.890 128.890 109.540 19.350 18720 2868 1 7 . 1 1 82 82 GLY C C 82 176.630 176.630 174.411 2.219 18720 2869 1 7 . 1 1 82 82 GLY CA C 82 46.420 46.420 44.899 1.521 18720 2870 1 7 . 1 1 83 83 SER N N 83 113.780 113.780 115.889 -2.109 18720 2871 1 7 . 1 1 83 83 SER C C 83 173.410 173.410 175.137 -1.727 18720 2872 1 7 . 1 1 83 83 SER CA C 83 57.840 57.840 58.180 -0.340 18720 2873 1 7 . 1 1 83 83 SER CB C 83 63.480 63.480 64.086 -0.606 18720 2874 1 7 . 1 1 84 84 LEU N N 84 123.770 123.770 124.276 -0.506 18720 2875 1 7 . 1 1 84 84 LEU C C 84 175.350 175.350 176.193 -0.843 18720 2876 1 7 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.053 1.077 18720 2877 1 7 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.532 0.158 18720 2878 1 7 . 1 1 85 85 GLU N N 85 124.380 124.380 123.110 1.270 18720 2879 1 7 . 1 1 85 85 GLU C C 85 174.280 174.280 174.917 -0.637 18720 2880 1 7 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.307 -0.438 18720 2881 1 7 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.075 1.345 18720 2882 1 7 . 1 1 86 86 LEU N N 86 121.400 121.400 124.624 -3.224 18720 2883 1 7 . 1 1 86 86 LEU C C 86 177.240 177.240 176.931 0.309 18720 2884 1 7 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.810 0.680 18720 2885 1 7 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.392 1.728 18720 2886 1 7 . 1 1 87 87 GLN N N 87 121.690 121.690 119.268 2.422 18720 2887 1 7 . 1 1 87 87 GLN C C 87 173.460 173.460 174.012 -0.552 18720 2888 1 7 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.665 1.415 18720 2889 1 7 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.036 -1.266 18720 2890 1 7 . 1 1 88 88 SER N N 88 120.000 120.000 116.818 3.182 18720 2891 1 7 . 1 1 88 88 SER C C 88 174.930 174.930 173.810 1.120 18720 2892 1 7 . 1 1 88 88 SER CA C 88 57.540 57.540 57.729 -0.189 18720 2893 1 7 . 1 1 88 88 SER CB C 88 63.750 63.750 63.233 0.517 18720 2894 1 7 . 1 1 89 89 GLN N N 89 129.170 129.170 127.252 1.918 18720 2895 1 7 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.691 0.929 18720 2896 1 7 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.693 -0.193 18720 2897 1 7 . 1 1 93 93 LEU C C 93 173.810 173.810 174.484 -0.674 18720 2898 1 7 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.927 -0.037 18720 2899 1 7 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.478 0.312 18720 2900 1 7 . 1 1 94 94 LEU N N 94 125.950 125.950 128.008 -2.058 18720 2901 1 7 . 1 1 94 94 LEU C C 94 175.680 175.680 174.430 1.250 18720 2902 1 7 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.890 1.080 18720 2903 1 7 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.366 -2.086 18720 2904 1 7 . 1 1 95 95 TYR N N 95 118.250 118.250 120.819 -2.569 18720 2905 1 7 . 1 1 95 95 TYR C C 95 171.830 171.830 173.397 -1.567 18720 2906 1 7 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.478 1.642 18720 2907 1 7 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.104 0.506 18720 2908 1 7 . 1 1 96 96 ARG N N 96 114.570 114.570 119.788 -5.218 18720 2909 1 7 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.862 -1.662 18720 2910 1 7 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.655 0.325 18720 2911 1 7 . 1 1 99 99 ARG C C 99 175.470 175.470 175.274 0.196 18720 2912 1 7 . 1 1 99 99 ARG CB C 99 29.380 29.380 29.105 0.275 18720 2913 1 7 . 1 1 100 100 SER N N 100 110.460 110.460 111.998 -1.538 18720 2914 1 7 . 1 1 100 100 SER C C 100 173.620 173.620 173.749 -0.129 18720 2915 1 7 . 1 1 100 100 SER CA C 100 59.570 59.570 59.380 0.190 18720 2916 1 7 . 1 1 100 100 SER CB C 100 62.640 62.640 62.525 0.115 18720 2917 1 7 . 1 1 101 101 ARG N N 101 119.500 119.500 119.351 0.149 18720 2918 1 7 . 1 1 101 101 ARG C C 101 174.900 174.900 174.712 0.188 18720 2919 1 7 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.293 0.217 18720 2920 1 7 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.662 -2.192 18720 2921 1 7 . 1 1 102 102 ILE N N 102 124.730 124.730 121.755 2.975 18720 2922 1 7 . 1 1 102 102 ILE C C 102 175.360 175.360 174.848 0.512 18720 2923 1 7 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.662 1.008 18720 2924 1 7 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.193 -0.463 18720 2925 1 7 . 1 1 103 103 ARG N N 103 130.770 130.770 125.481 5.289 18720 2926 1 7 . 1 1 103 103 ARG C C 103 173.480 173.480 174.817 -1.337 18720 2927 1 7 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.271 0.559 18720 2928 1 7 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.623 1.667 18720 2929 1 7 . 1 1 104 104 GLY N N 104 128.260 128.260 108.366 19.894 18720 2930 1 7 . 1 1 104 104 GLY C C 104 170.890 170.890 171.779 -0.889 18720 2931 1 7 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.361 2.079 18720 2932 1 7 . 1 1 105 105 PHE N N 105 118.120 118.120 118.075 0.045 18720 2933 1 7 . 1 1 105 105 PHE C C 105 173.920 173.920 173.745 0.175 18720 2934 1 7 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.863 -2.203 18720 2935 1 7 . 1 1 105 105 PHE CB C 105 43.220 43.220 44.058 -0.838 18720 2936 1 7 . 1 1 106 106 TRP N N 106 124.290 124.290 123.951 0.339 18720 2937 1 7 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.928 -0.518 18720 2938 1 7 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.550 -0.670 18720 2939 1 7 . 1 1 110 110 SER C C 110 175.240 175.240 176.067 -0.827 18720 2940 1 7 . 1 1 110 110 SER CA C 110 62.920 62.920 60.940 1.980 18720 2941 1 7 . 1 1 110 110 SER CB C 110 64.980 64.980 63.221 1.759 18720 2942 1 7 . 1 1 111 111 GLU N N 111 122.310 122.310 120.507 1.803 18720 2943 1 7 . 1 1 111 111 GLU C C 111 179.150 179.150 178.526 0.624 18720 2944 1 7 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.162 0.378 18720 2945 1 7 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.119 -0.549 18720 2946 1 7 . 1 1 112 112 GLU N N 112 118.920 118.920 119.971 -1.051 18720 2947 1 7 . 1 1 112 112 GLU C C 112 176.360 176.360 178.418 -2.058 18720 2948 1 7 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.089 -1.009 18720 2949 1 7 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.485 0.755 18720 2950 1 7 . 1 1 113 113 CYS N N 113 117.090 117.090 117.374 -0.284 18720 2951 1 7 . 1 1 113 113 CYS C C 113 176.110 176.110 176.129 -0.019 18720 2952 1 7 . 1 1 113 113 CYS CA C 113 61.500 61.500 61.685 -0.186 18720 2953 1 7 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.248 0.552 18720 2954 1 7 . 1 1 114 114 ASP N N 114 118.820 118.820 120.615 -1.795 18720 2955 1 7 . 1 1 114 114 ASP C C 114 178.460 178.460 178.538 -0.078 18720 2956 1 7 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.142 0.198 18720 2957 1 7 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.626 0.445 18720 2958 1 7 . 1 1 115 115 ARG N N 115 120.870 120.870 119.074 1.796 18720 2959 1 7 . 1 1 115 115 ARG C C 115 179.440 179.440 178.861 0.579 18720 2960 1 7 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.420 0.230 18720 2961 1 7 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.091 0.609 18720 2962 1 7 . 1 1 116 116 ILE N N 116 119.500 119.500 119.257 0.243 18720 2963 1 7 . 1 1 116 116 ILE C C 116 177.680 177.680 177.988 -0.308 18720 2964 1 7 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.443 -1.503 18720 2965 1 7 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.652 -1.932 18720 2966 1 7 . 1 1 117 117 SER N N 117 115.890 115.890 115.626 0.264 18720 2967 1 7 . 1 1 117 117 SER C C 117 176.720 176.720 176.984 -0.264 18720 2968 1 7 . 1 1 117 117 SER CA C 117 62.630 62.630 61.718 0.912 18720 2969 1 7 . 1 1 117 117 SER CB C 117 62.660 62.660 62.660 -0.000 18720 2970 1 7 . 1 1 118 118 GLY N N 118 130.780 130.780 110.368 20.412 18720 2971 1 7 . 1 1 118 118 GLY C C 118 176.570 176.570 175.817 0.753 18720 2972 1 7 . 1 1 118 118 GLY CA C 118 47.090 47.090 46.970 0.120 18720 2973 1 7 . 1 1 119 119 LEU N N 119 124.450 124.450 122.534 1.916 18720 2974 1 7 . 1 1 119 119 LEU C C 119 179.470 179.470 178.951 0.519 18720 2975 1 7 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.807 0.003 18720 2976 1 7 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.822 0.488 18720 2977 1 7 . 1 1 120 120 VAL N N 120 119.140 119.140 118.965 0.175 18720 2978 1 7 . 1 1 120 120 VAL C C 120 177.380 177.380 177.780 -0.400 18720 2979 1 7 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.844 0.586 18720 2980 1 7 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.292 -0.422 18720 2981 1 7 . 1 1 121 121 ASN N N 121 116.650 116.650 118.590 -1.940 18720 2982 1 7 . 1 1 121 121 ASN C C 121 178.330 178.330 177.634 0.696 18720 2983 1 7 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.951 -0.281 18720 2984 1 7 . 1 1 121 121 ASN CB C 121 38.560 38.560 38.075 0.485 18720 2985 1 7 . 1 1 122 122 GLY N N 122 129.450 129.450 108.472 20.978 18720 2986 1 7 . 1 1 122 122 GLY C C 122 176.190 176.190 175.258 0.932 18720 2987 1 7 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.766 0.014 18720 2988 1 7 . 1 1 123 123 LEU N N 123 121.510 121.510 121.437 0.073 18720 2989 1 7 . 1 1 123 123 LEU C C 123 179.060 179.060 179.594 -0.534 18720 2990 1 7 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.416 -1.026 18720 2991 1 7 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.570 0.020 18720 2992 1 7 . 1 1 124 124 LEU N N 124 119.080 119.080 117.492 1.588 18720 2993 1 7 . 1 1 124 124 LEU C C 124 177.880 177.880 178.158 -0.278 18720 2994 1 7 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.337 -1.057 18720 2995 1 7 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.681 0.619 18720 2996 1 7 . 1 1 125 125 LYS N N 125 118.600 118.600 113.546 5.054 18720 2997 1 7 . 1 1 125 125 LYS C C 125 176.540 176.540 176.184 0.356 18720 2998 1 7 . 1 1 125 125 LYS CA C 125 56.470 56.470 55.782 0.688 18720 2999 1 7 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.570 0.160 18720 3000 1 7 . 1 1 126 126 SER N N 126 116.570 116.570 116.174 0.396 18720 3001 1 7 . 1 1 126 126 SER C C 126 173.590 173.590 172.665 0.925 18720 3002 1 7 . 1 1 126 126 SER CA C 126 58.550 58.550 57.753 0.797 18720 3003 1 7 . 1 1 126 126 SER CB C 126 63.880 63.880 64.463 -0.583 18720 3004 1 8 . 1 1 2 2 ALA N N 2 123.960 123.960 124.948 -0.988 18720 3005 1 8 . 1 1 2 2 ALA C C 2 177.620 177.620 176.714 0.906 18720 3006 1 8 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.481 1.429 18720 3007 1 8 . 1 1 2 2 ALA CB C 2 19.050 19.050 19.765 -0.716 18720 3008 1 8 . 1 1 3 3 ASP N N 3 119.570 119.570 123.126 -3.556 18720 3009 1 8 . 1 1 3 3 ASP C C 3 177.150 177.150 177.246 -0.096 18720 3010 1 8 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.320 1.480 18720 3011 1 8 . 1 1 3 3 ASP CB C 3 41.610 41.610 43.081 -1.471 18720 3012 1 8 . 1 1 4 4 GLU N N 4 123.110 123.110 124.571 -1.461 18720 3013 1 8 . 1 1 4 4 GLU C C 4 177.710 177.710 178.463 -0.753 18720 3014 1 8 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.486 -1.096 18720 3015 1 8 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.742 0.058 18720 3016 1 8 . 1 1 5 5 SER N N 5 116.020 116.020 114.605 1.415 18720 3017 1 8 . 1 1 5 5 SER CA C 5 60.870 60.870 61.147 -0.277 18720 3018 1 8 . 1 1 5 5 SER CB C 5 62.940 62.940 62.711 0.229 18720 3019 1 8 . 1 1 6 6 ILE N N 6 123.790 123.790 120.841 2.949 18720 3020 1 8 . 1 1 6 6 ILE C C 6 178.180 178.180 177.936 0.244 18720 3021 1 8 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.141 0.529 18720 3022 1 8 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.840 0.820 18720 3023 1 8 . 1 1 7 7 THR N N 7 117.450 117.450 116.546 0.904 18720 3024 1 8 . 1 1 7 7 THR C C 7 176.030 176.030 176.849 -0.819 18720 3025 1 8 . 1 1 7 7 THR CA C 7 66.370 66.370 67.141 -0.771 18720 3026 1 8 . 1 1 7 7 THR CB C 7 68.640 68.640 68.483 0.157 18720 3027 1 8 . 1 1 8 8 ARG N N 8 120.770 120.770 120.584 0.186 18720 3028 1 8 . 1 1 8 8 ARG C C 8 179.040 179.040 178.521 0.519 18720 3029 1 8 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.989 -0.599 18720 3030 1 8 . 1 1 8 8 ARG CB C 8 29.990 29.990 30.026 -0.036 18720 3031 1 8 . 1 1 9 9 MET N N 9 119.840 119.840 118.587 1.253 18720 3032 1 8 . 1 1 9 9 MET C C 9 178.760 178.760 178.369 0.391 18720 3033 1 8 . 1 1 9 9 MET CA C 9 58.240 58.240 59.383 -1.143 18720 3034 1 8 . 1 1 9 9 MET CB C 9 31.970 31.970 32.224 -0.254 18720 3035 1 8 . 1 1 10 10 ASN N N 10 120.190 120.190 118.634 1.556 18720 3036 1 8 . 1 1 10 10 ASN C C 10 176.660 176.660 177.785 -1.125 18720 3037 1 8 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.017 -0.377 18720 3038 1 8 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.257 0.054 18720 3039 1 8 . 1 1 11 11 LEU N N 11 121.490 121.490 121.205 0.285 18720 3040 1 8 . 1 1 11 11 LEU C C 11 177.690 177.690 177.968 -0.278 18720 3041 1 8 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.847 -0.457 18720 3042 1 8 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.527 -0.547 18720 3043 1 8 . 1 1 12 12 ALA N N 12 120.380 120.380 121.529 -1.149 18720 3044 1 8 . 1 1 12 12 ALA C C 12 179.910 179.910 179.454 0.456 18720 3045 1 8 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.098 -0.208 18720 3046 1 8 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.933 -0.373 18720 3047 1 8 . 1 1 13 13 ALA N N 13 119.960 119.960 121.109 -1.149 18720 3048 1 8 . 1 1 13 13 ALA C C 13 179.740 179.740 179.995 -0.255 18720 3049 1 8 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.650 0.180 18720 3050 1 8 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.239 -0.719 18720 3051 1 8 . 1 1 14 14 ILE N N 14 118.040 118.040 119.734 -1.694 18720 3052 1 8 . 1 1 14 14 ILE C C 14 178.220 178.220 177.741 0.479 18720 3053 1 8 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.116 -0.756 18720 3054 1 8 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.258 -0.118 18720 3055 1 8 . 1 1 15 15 LYS N N 15 118.740 118.740 117.599 1.141 18720 3056 1 8 . 1 1 15 15 LYS C C 15 177.440 177.440 178.253 -0.813 18720 3057 1 8 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.521 -0.701 18720 3058 1 8 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.864 1.026 18720 3059 1 8 . 1 1 16 16 LYS N N 16 115.750 115.750 118.366 -2.616 18720 3060 1 8 . 1 1 16 16 LYS C C 16 177.060 177.060 177.519 -0.459 18720 3061 1 8 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.514 0.046 18720 3062 1 8 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.407 0.183 18720 3063 1 8 . 1 1 17 17 ILE N N 17 115.830 115.830 116.070 -0.240 18720 3064 1 8 . 1 1 17 17 ILE C C 17 175.500 175.500 176.319 -0.819 18720 3065 1 8 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.878 -1.438 18720 3066 1 8 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.057 -0.097 18720 3067 1 8 . 1 1 18 18 ASP N N 18 119.320 119.320 121.227 -1.907 18720 3068 1 8 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.316 -0.576 18720 3069 1 8 . 1 1 18 18 ASP CB C 18 40.710 40.710 41.773 -1.063 18720 3070 1 8 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.138 -0.538 18720 3071 1 8 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.703 0.307 18720 3072 1 8 . 1 1 20 20 TYR N N 20 115.540 115.540 113.313 2.227 18720 3073 1 8 . 1 1 20 20 TYR C C 20 175.350 175.350 174.841 0.509 18720 3074 1 8 . 1 1 20 20 TYR CA C 20 57.810 57.810 55.350 2.460 18720 3075 1 8 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.978 0.162 18720 3076 1 8 . 1 1 21 21 ALA N N 21 122.720 122.720 122.790 -0.070 18720 3077 1 8 . 1 1 21 21 ALA C C 21 175.410 175.410 175.967 -0.557 18720 3078 1 8 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.765 2.565 18720 3079 1 8 . 1 1 21 21 ALA CB C 21 20.690 20.690 18.871 1.819 18720 3080 1 8 . 1 1 22 22 LYS N N 22 121.370 121.370 124.819 -3.449 18720 3081 1 8 . 1 1 22 22 LYS C C 22 175.400 175.400 176.501 -1.101 18720 3082 1 8 . 1 1 22 22 LYS CA C 22 56.820 56.820 57.045 -0.225 18720 3083 1 8 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.259 1.601 18720 3084 1 8 . 1 1 23 23 GLU N N 23 113.820 113.820 118.964 -5.144 18720 3085 1 8 . 1 1 23 23 GLU C C 23 174.470 174.470 174.535 -0.065 18720 3086 1 8 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.089 0.241 18720 3087 1 8 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.960 0.080 18720 3088 1 8 . 1 1 24 24 ILE N N 24 125.650 125.650 125.118 0.532 18720 3089 1 8 . 1 1 24 24 ILE C C 24 175.360 175.360 176.229 -0.869 18720 3090 1 8 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.525 1.245 18720 3091 1 8 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.487 -0.877 18720 3092 1 8 . 1 1 25 25 VAL N N 25 127.290 127.290 127.027 0.263 18720 3093 1 8 . 1 1 25 25 VAL C C 25 175.240 175.240 176.141 -0.901 18720 3094 1 8 . 1 1 25 25 VAL CA C 25 63.620 63.620 63.304 0.315 18720 3095 1 8 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.625 0.715 18720 3096 1 8 . 1 1 26 26 ASP N N 26 117.410 117.410 117.664 -0.254 18720 3097 1 8 . 1 1 26 26 ASP C C 26 174.000 174.000 174.143 -0.143 18720 3098 1 8 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.636 -0.606 18720 3099 1 8 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.454 0.256 18720 3100 1 8 . 1 1 27 27 SER N N 27 115.600 115.600 117.229 -1.629 18720 3101 1 8 . 1 1 27 27 SER C C 27 172.420 172.420 172.925 -0.505 18720 3102 1 8 . 1 1 27 27 SER CA C 27 57.200 57.200 56.731 0.469 18720 3103 1 8 . 1 1 27 27 SER CB C 27 67.230 67.230 65.800 1.430 18720 3104 1 8 . 1 1 28 28 SER N N 28 113.820 113.820 119.646 -5.826 18720 3105 1 8 . 1 1 28 28 SER C C 28 176.140 176.140 175.972 0.168 18720 3106 1 8 . 1 1 28 28 SER CA C 28 57.840 57.840 55.557 2.283 18720 3107 1 8 . 1 1 28 28 SER CB C 28 65.830 65.830 64.918 0.912 18720 3108 1 8 . 1 1 29 29 SER N N 29 121.670 121.670 123.955 -2.285 18720 3109 1 8 . 1 1 29 29 SER CA C 29 61.900 61.900 61.367 0.533 18720 3110 1 8 . 1 1 29 29 SER CB C 29 63.720 63.720 63.644 0.076 18720 3111 1 8 . 1 1 30 30 HIS CA C 30 56.630 56.630 55.987 0.643 18720 3112 1 8 . 1 1 31 31 VAL N N 31 127.450 127.450 125.699 1.751 18720 3113 1 8 . 1 1 31 31 VAL C C 31 173.480 173.480 173.415 0.065 18720 3114 1 8 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.739 -0.409 18720 3115 1 8 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.510 0.030 18720 3116 1 8 . 1 1 32 32 ALA N N 32 125.580 125.580 127.103 -1.523 18720 3117 1 8 . 1 1 32 32 ALA C C 32 175.260 175.260 175.031 0.229 18720 3118 1 8 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.960 0.850 18720 3119 1 8 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.181 -0.161 18720 3120 1 8 . 1 1 33 33 PHE N N 33 123.530 123.530 122.490 1.040 18720 3121 1 8 . 1 1 33 33 PHE C C 33 174.210 174.210 173.401 0.809 18720 3122 1 8 . 1 1 33 33 PHE CA C 33 56.050 56.050 56.671 -0.621 18720 3123 1 8 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.912 -0.892 18720 3124 1 8 . 1 1 34 34 TYR N N 34 130.040 130.040 125.824 4.216 18720 3125 1 8 . 1 1 34 34 TYR C C 34 173.300 173.300 175.015 -1.715 18720 3126 1 8 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.934 0.567 18720 3127 1 8 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.925 1.225 18720 3128 1 8 . 1 1 35 35 THR N N 35 109.080 109.080 117.748 -8.668 18720 3129 1 8 . 1 1 35 35 THR C C 35 172.150 172.150 172.715 -0.565 18720 3130 1 8 . 1 1 35 35 THR CA C 35 59.670 59.670 61.696 -2.026 18720 3131 1 8 . 1 1 35 35 THR CB C 35 70.820 70.820 71.783 -0.963 18720 3132 1 8 . 1 1 36 36 PHE N N 36 126.090 126.090 125.493 0.597 18720 3133 1 8 . 1 1 36 36 PHE C C 36 173.570 173.570 173.661 -0.091 18720 3134 1 8 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.238 1.672 18720 3135 1 8 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.241 -2.471 18720 3136 1 8 . 1 1 37 37 ASN N N 37 128.500 128.500 125.009 3.491 18720 3137 1 8 . 1 1 37 37 ASN C C 37 175.280 175.280 175.184 0.096 18720 3138 1 8 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.400 0.130 18720 3139 1 8 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.006 -1.276 18720 3140 1 8 . 1 1 38 38 SER N N 38 121.880 121.880 122.122 -0.242 18720 3141 1 8 . 1 1 38 38 SER CB C 38 63.050 63.050 63.274 -0.224 18720 3142 1 8 . 1 1 39 39 SER C C 39 175.410 175.410 175.615 -0.205 18720 3143 1 8 . 1 1 39 39 SER CA C 39 61.020 61.020 61.108 -0.088 18720 3144 1 8 . 1 1 39 39 SER CB C 39 62.700 62.700 63.354 -0.654 18720 3145 1 8 . 1 1 40 40 GLN N N 40 117.370 117.370 118.420 -1.050 18720 3146 1 8 . 1 1 40 40 GLN C C 40 174.910 174.910 175.703 -0.793 18720 3147 1 8 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.697 -0.897 18720 3148 1 8 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.729 0.081 18720 3149 1 8 . 1 1 41 41 ASN N N 41 118.400 118.400 116.406 1.994 18720 3150 1 8 . 1 1 41 41 ASN C C 41 173.240 173.240 173.481 -0.241 18720 3151 1 8 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.255 -0.055 18720 3152 1 8 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.388 0.252 18720 3153 1 8 . 1 1 42 42 GLU N N 42 112.910 112.910 116.586 -3.676 18720 3154 1 8 . 1 1 42 42 GLU C C 42 174.620 174.620 174.396 0.224 18720 3155 1 8 . 1 1 42 42 GLU CA C 42 54.110 54.110 55.033 -0.923 18720 3156 1 8 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.495 0.955 18720 3157 1 8 . 1 1 43 43 TRP N N 43 123.140 123.140 120.827 2.313 18720 3158 1 8 . 1 1 43 43 TRP C C 43 175.850 175.850 176.885 -1.035 18720 3159 1 8 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.058 0.582 18720 3160 1 8 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.988 0.622 18720 3161 1 8 . 1 1 44 44 GLU N N 44 120.660 120.660 123.025 -2.365 18720 3162 1 8 . 1 1 44 44 GLU C C 44 175.030 175.030 175.463 -0.433 18720 3163 1 8 . 1 1 44 44 GLU CA C 44 55.120 55.120 55.081 0.039 18720 3164 1 8 . 1 1 44 44 GLU CB C 44 32.110 32.110 33.050 -0.940 18720 3165 1 8 . 1 1 45 45 LYS N N 45 123.100 123.100 126.770 -3.670 18720 3166 1 8 . 1 1 45 45 LYS C C 45 176.810 176.810 176.661 0.149 18720 3167 1 8 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.469 0.491 18720 3168 1 8 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.968 0.372 18720 3169 1 8 . 1 1 46 46 THR N N 46 114.570 114.570 117.139 -2.569 18720 3170 1 8 . 1 1 46 46 THR C C 46 174.130 174.130 174.427 -0.297 18720 3171 1 8 . 1 1 46 46 THR CA C 46 61.720 61.720 60.656 1.064 18720 3172 1 8 . 1 1 46 46 THR CB C 46 71.720 71.720 70.038 1.682 18720 3173 1 8 . 1 1 47 47 ASP N N 47 118.590 118.590 119.140 -0.550 18720 3174 1 8 . 1 1 47 47 ASP C C 47 174.390 174.390 175.207 -0.817 18720 3175 1 8 . 1 1 47 47 ASP CA C 47 53.910 53.910 53.942 -0.032 18720 3176 1 8 . 1 1 47 47 ASP CB C 47 39.870 39.870 39.732 0.138 18720 3177 1 8 . 1 1 48 48 VAL N N 48 118.730 118.730 120.555 -1.825 18720 3178 1 8 . 1 1 48 48 VAL C C 48 174.840 174.840 173.620 1.220 18720 3179 1 8 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.516 0.844 18720 3180 1 8 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.948 0.442 18720 3181 1 8 . 1 1 49 49 GLU N N 49 127.180 127.180 128.542 -1.362 18720 3182 1 8 . 1 1 49 49 GLU C C 49 174.140 174.140 175.225 -1.085 18720 3183 1 8 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.066 0.164 18720 3184 1 8 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.384 0.486 18720 3185 1 8 . 1 1 50 50 GLY N N 50 110.640 110.640 112.155 -1.515 18720 3186 1 8 . 1 1 50 50 GLY C C 50 171.360 171.360 171.946 -0.586 18720 3187 1 8 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.042 0.678 18720 3188 1 8 . 1 1 51 51 ALA N N 51 124.800 124.800 121.868 2.932 18720 3189 1 8 . 1 1 51 51 ALA C C 51 174.220 174.220 175.770 -1.550 18720 3190 1 8 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.415 1.255 18720 3191 1 8 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.738 -0.468 18720 3192 1 8 . 1 1 52 52 PHE N N 52 123.680 123.680 125.616 -1.936 18720 3193 1 8 . 1 1 52 52 PHE C C 52 173.650 173.650 173.356 0.294 18720 3194 1 8 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.120 -0.200 18720 3195 1 8 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.349 2.351 18720 3196 1 8 . 1 1 53 53 PHE N N 53 123.690 123.690 126.492 -2.802 18720 3197 1 8 . 1 1 53 53 PHE C C 53 174.760 174.760 174.093 0.667 18720 3198 1 8 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.417 1.103 18720 3199 1 8 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.492 -0.072 18720 3200 1 8 . 1 1 54 54 ILE N N 54 119.970 119.970 121.375 -1.405 18720 3201 1 8 . 1 1 54 54 ILE C C 54 175.240 175.240 174.701 0.539 18720 3202 1 8 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.792 -1.302 18720 3203 1 8 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.353 -0.463 18720 3204 1 8 . 1 1 55 55 TYR N N 55 125.670 125.670 126.604 -0.934 18720 3205 1 8 . 1 1 55 55 TYR C C 55 170.980 170.980 175.089 -4.109 18720 3206 1 8 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.414 0.906 18720 3207 1 8 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.958 2.022 18720 3208 1 8 . 1 1 56 56 HIS N N 56 121.710 121.710 122.476 -0.766 18720 3209 1 8 . 1 1 56 56 HIS C C 56 175.000 175.000 173.588 1.412 18720 3210 1 8 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.622 -1.892 18720 3211 1 8 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.369 -0.069 18720 3212 1 8 . 1 1 57 57 ARG N N 57 126.870 126.870 124.646 2.224 18720 3213 1 8 . 1 1 57 57 ARG C C 57 174.770 174.770 174.032 0.738 18720 3214 1 8 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.784 0.246 18720 3215 1 8 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.636 1.454 18720 3216 1 8 . 1 1 58 58 ASN N N 58 115.660 115.660 119.819 -4.159 18720 3217 1 8 . 1 1 58 58 ASN C C 58 173.540 173.540 174.104 -0.564 18720 3218 1 8 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.400 -0.630 18720 3219 1 8 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.488 1.692 18720 3220 1 8 . 1 1 59 59 ALA N N 59 120.190 120.190 121.263 -1.073 18720 3221 1 8 . 1 1 59 59 ALA C C 59 173.000 173.000 174.916 -1.916 18720 3222 1 8 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.764 -0.424 18720 3223 1 8 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.242 0.638 18720 3224 1 8 . 1 1 60 60 GLU N N 60 117.270 117.270 120.234 -2.964 18720 3225 1 8 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.427 0.083 18720 3226 1 8 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.121 0.549 18720 3227 1 8 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.576 -0.516 18720 3228 1 8 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.345 1.285 18720 3229 1 8 . 1 1 62 62 PHE N N 62 120.680 120.680 119.499 1.181 18720 3230 1 8 . 1 1 62 62 PHE C C 62 174.840 174.840 175.580 -0.740 18720 3231 1 8 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.715 -0.935 18720 3232 1 8 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.567 -0.347 18720 3233 1 8 . 1 1 63 63 HIS N N 63 115.820 115.820 112.897 2.923 18720 3234 1 8 . 1 1 63 63 HIS C C 63 174.540 174.540 173.890 0.650 18720 3235 1 8 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.494 0.496 18720 3236 1 8 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.764 0.566 18720 3237 1 8 . 1 1 64 64 SER N N 64 114.040 114.040 116.351 -2.311 18720 3238 1 8 . 1 1 64 64 SER C C 64 169.620 169.620 172.155 -2.535 18720 3239 1 8 . 1 1 64 64 SER CA C 64 55.980 55.980 57.631 -1.651 18720 3240 1 8 . 1 1 64 64 SER CB C 64 66.770 66.770 65.550 1.220 18720 3241 1 8 . 1 1 65 65 ILE N N 65 125.090 125.090 122.816 2.274 18720 3242 1 8 . 1 1 65 65 ILE C C 65 174.630 174.630 173.828 0.802 18720 3243 1 8 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.417 -0.197 18720 3244 1 8 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.643 -0.053 18720 3245 1 8 . 1 1 66 66 PHE N N 66 127.730 127.730 126.578 1.152 18720 3246 1 8 . 1 1 66 66 PHE C C 66 174.680 174.680 173.015 1.665 18720 3247 1 8 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.726 -0.426 18720 3248 1 8 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.373 1.657 18720 3249 1 8 . 1 1 67 67 ILE N N 67 124.780 124.780 124.494 0.286 18720 3250 1 8 . 1 1 67 67 ILE C C 67 174.180 174.180 173.761 0.419 18720 3251 1 8 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.631 0.039 18720 3252 1 8 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.099 -0.379 18720 3253 1 8 . 1 1 68 68 ASN N N 68 124.620 124.620 124.909 -0.289 18720 3254 1 8 . 1 1 68 68 ASN C C 68 174.260 174.260 174.031 0.229 18720 3255 1 8 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.948 -0.878 18720 3256 1 8 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.515 -0.515 18720 3257 1 8 . 1 1 69 69 ASN N N 69 124.120 124.120 125.429 -1.309 18720 3258 1 8 . 1 1 69 69 ASN C C 69 175.740 175.740 176.077 -0.337 18720 3259 1 8 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.908 0.292 18720 3260 1 8 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.758 0.762 18720 3261 1 8 . 1 1 70 70 ARG N N 70 123.310 123.310 126.971 -3.661 18720 3262 1 8 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.974 -2.014 18720 3263 1 8 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.570 0.490 18720 3264 1 8 . 1 1 73 73 THR C C 73 175.310 175.310 173.614 1.696 18720 3265 1 8 . 1 1 73 73 THR CA C 73 62.320 62.320 63.585 -1.265 18720 3266 1 8 . 1 1 73 73 THR CB C 73 69.070 69.070 66.840 2.230 18720 3267 1 8 . 1 1 74 74 THR N N 74 119.010 119.010 116.548 2.462 18720 3268 1 8 . 1 1 74 74 THR C C 74 173.810 173.810 173.581 0.229 18720 3269 1 8 . 1 1 74 74 THR CA C 74 62.700 62.700 61.564 1.136 18720 3270 1 8 . 1 1 74 74 THR CB C 74 69.750 69.750 72.662 -2.912 18720 3271 1 8 . 1 1 75 75 SER N N 75 120.750 120.750 118.791 1.959 18720 3272 1 8 . 1 1 75 75 SER C C 75 172.250 172.250 173.525 -1.275 18720 3273 1 8 . 1 1 75 75 SER CA C 75 58.300 58.300 57.798 0.502 18720 3274 1 8 . 1 1 75 75 SER CB C 75 65.290 65.290 64.645 0.645 18720 3275 1 8 . 1 1 76 76 PHE N N 76 122.090 122.090 127.446 -5.356 18720 3276 1 8 . 1 1 76 76 PHE C C 76 172.040 172.040 172.671 -0.631 18720 3277 1 8 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.569 0.211 18720 3278 1 8 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.615 0.685 18720 3279 1 8 . 1 1 77 77 VAL N N 77 124.490 124.490 126.287 -1.797 18720 3280 1 8 . 1 1 77 77 VAL C C 77 174.390 174.390 173.405 0.985 18720 3281 1 8 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.550 0.190 18720 3282 1 8 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.089 0.521 18720 3283 1 8 . 1 1 78 78 GLU N N 78 125.760 125.760 126.958 -1.198 18720 3284 1 8 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.764 -0.644 18720 3285 1 8 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.163 0.627 18720 3286 1 8 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.429 0.341 18720 3287 1 8 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.651 -0.090 18720 3288 1 8 . 1 1 80 80 ILE N N 80 123.190 123.190 123.052 0.138 18720 3289 1 8 . 1 1 80 80 ILE C C 80 174.250 174.250 176.082 -1.832 18720 3290 1 8 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.422 -0.002 18720 3291 1 8 . 1 1 80 80 ILE CB C 80 36.640 36.640 37.945 -1.305 18720 3292 1 8 . 1 1 81 81 THR N N 81 115.840 115.840 118.345 -2.505 18720 3293 1 8 . 1 1 81 81 THR C C 81 174.140 174.140 175.780 -1.640 18720 3294 1 8 . 1 1 81 81 THR CA C 81 59.500 59.500 60.395 -0.895 18720 3295 1 8 . 1 1 81 81 THR CB C 81 71.030 71.030 70.736 0.294 18720 3296 1 8 . 1 1 82 82 GLY N N 82 128.890 128.890 108.425 20.465 18720 3297 1 8 . 1 1 82 82 GLY C C 82 176.630 176.630 174.846 1.784 18720 3298 1 8 . 1 1 82 82 GLY CA C 82 46.420 46.420 44.951 1.469 18720 3299 1 8 . 1 1 83 83 SER N N 83 113.780 113.780 114.831 -1.051 18720 3300 1 8 . 1 1 83 83 SER C C 83 173.410 173.410 174.875 -1.465 18720 3301 1 8 . 1 1 83 83 SER CA C 83 57.840 57.840 57.844 -0.004 18720 3302 1 8 . 1 1 83 83 SER CB C 83 63.480 63.480 63.936 -0.456 18720 3303 1 8 . 1 1 84 84 LEU N N 84 123.770 123.770 124.068 -0.298 18720 3304 1 8 . 1 1 84 84 LEU C C 84 175.350 175.350 176.475 -1.125 18720 3305 1 8 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.160 0.970 18720 3306 1 8 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.421 0.269 18720 3307 1 8 . 1 1 85 85 GLU N N 85 124.380 124.380 123.967 0.413 18720 3308 1 8 . 1 1 85 85 GLU C C 85 174.280 174.280 174.811 -0.531 18720 3309 1 8 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.358 -0.488 18720 3310 1 8 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.122 1.298 18720 3311 1 8 . 1 1 86 86 LEU N N 86 121.400 121.400 124.519 -3.119 18720 3312 1 8 . 1 1 86 86 LEU C C 86 177.240 177.240 176.735 0.505 18720 3313 1 8 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.713 0.777 18720 3314 1 8 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.795 1.325 18720 3315 1 8 . 1 1 87 87 GLN N N 87 121.690 121.690 119.387 2.303 18720 3316 1 8 . 1 1 87 87 GLN C C 87 173.460 173.460 173.918 -0.458 18720 3317 1 8 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.744 1.336 18720 3318 1 8 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.049 -1.279 18720 3319 1 8 . 1 1 88 88 SER N N 88 120.000 120.000 116.955 3.045 18720 3320 1 8 . 1 1 88 88 SER C C 88 174.930 174.930 173.918 1.012 18720 3321 1 8 . 1 1 88 88 SER CA C 88 57.540 57.540 57.550 -0.010 18720 3322 1 8 . 1 1 88 88 SER CB C 88 63.750 63.750 63.314 0.436 18720 3323 1 8 . 1 1 89 89 GLN N N 89 129.170 129.170 127.438 1.732 18720 3324 1 8 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.569 1.050 18720 3325 1 8 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.931 -0.431 18720 3326 1 8 . 1 1 93 93 LEU C C 93 173.810 173.810 174.209 -0.399 18720 3327 1 8 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.708 0.182 18720 3328 1 8 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.252 0.538 18720 3329 1 8 . 1 1 94 94 LEU N N 94 125.950 125.950 127.870 -1.920 18720 3330 1 8 . 1 1 94 94 LEU C C 94 175.680 175.680 174.247 1.433 18720 3331 1 8 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.760 1.210 18720 3332 1 8 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.075 -1.795 18720 3333 1 8 . 1 1 95 95 TYR N N 95 118.250 118.250 121.314 -3.064 18720 3334 1 8 . 1 1 95 95 TYR C C 95 171.830 171.830 173.379 -1.549 18720 3335 1 8 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.580 1.540 18720 3336 1 8 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.463 0.147 18720 3337 1 8 . 1 1 96 96 ARG N N 96 114.570 114.570 119.992 -5.422 18720 3338 1 8 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.824 -1.624 18720 3339 1 8 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.831 0.149 18720 3340 1 8 . 1 1 99 99 ARG C C 99 175.470 175.470 174.988 0.482 18720 3341 1 8 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.981 0.399 18720 3342 1 8 . 1 1 100 100 SER N N 100 110.460 110.460 111.326 -0.866 18720 3343 1 8 . 1 1 100 100 SER C C 100 173.620 173.620 173.879 -0.259 18720 3344 1 8 . 1 1 100 100 SER CA C 100 59.570 59.570 59.635 -0.065 18720 3345 1 8 . 1 1 100 100 SER CB C 100 62.640 62.640 62.483 0.157 18720 3346 1 8 . 1 1 101 101 ARG N N 101 119.500 119.500 118.967 0.533 18720 3347 1 8 . 1 1 101 101 ARG C C 101 174.900 174.900 174.841 0.059 18720 3348 1 8 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.374 0.136 18720 3349 1 8 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.296 -1.826 18720 3350 1 8 . 1 1 102 102 ILE N N 102 124.730 124.730 121.960 2.770 18720 3351 1 8 . 1 1 102 102 ILE C C 102 175.360 175.360 174.804 0.556 18720 3352 1 8 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.573 1.097 18720 3353 1 8 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.244 -0.514 18720 3354 1 8 . 1 1 103 103 ARG N N 103 130.770 130.770 125.022 5.748 18720 3355 1 8 . 1 1 103 103 ARG C C 103 173.480 173.480 174.283 -0.803 18720 3356 1 8 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.267 0.563 18720 3357 1 8 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.907 1.383 18720 3358 1 8 . 1 1 104 104 GLY N N 104 128.260 128.260 107.494 20.766 18720 3359 1 8 . 1 1 104 104 GLY C C 104 170.890 170.890 171.350 -0.460 18720 3360 1 8 . 1 1 104 104 GLY CA C 104 46.440 46.440 43.914 2.526 18720 3361 1 8 . 1 1 105 105 PHE N N 105 118.120 118.120 117.873 0.247 18720 3362 1 8 . 1 1 105 105 PHE C C 105 173.920 173.920 174.047 -0.127 18720 3363 1 8 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.818 -2.158 18720 3364 1 8 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.922 -0.702 18720 3365 1 8 . 1 1 106 106 TRP N N 106 124.290 124.290 124.771 -0.481 18720 3366 1 8 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.860 -0.450 18720 3367 1 8 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.397 -0.517 18720 3368 1 8 . 1 1 110 110 SER C C 110 175.240 175.240 175.960 -0.720 18720 3369 1 8 . 1 1 110 110 SER CA C 110 62.920 62.920 60.698 2.222 18720 3370 1 8 . 1 1 110 110 SER CB C 110 64.980 64.980 63.266 1.714 18720 3371 1 8 . 1 1 111 111 GLU N N 111 122.310 122.310 119.309 3.001 18720 3372 1 8 . 1 1 111 111 GLU C C 111 179.150 179.150 178.526 0.624 18720 3373 1 8 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.467 0.073 18720 3374 1 8 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.143 -0.573 18720 3375 1 8 . 1 1 112 112 GLU N N 112 118.920 118.920 120.348 -1.428 18720 3376 1 8 . 1 1 112 112 GLU C C 112 176.360 176.360 178.416 -2.056 18720 3377 1 8 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.022 -0.942 18720 3378 1 8 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.478 0.762 18720 3379 1 8 . 1 1 113 113 CYS N N 113 117.090 117.090 117.298 -0.208 18720 3380 1 8 . 1 1 113 113 CYS C C 113 176.110 176.110 176.032 0.078 18720 3381 1 8 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.213 -0.713 18720 3382 1 8 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.705 0.095 18720 3383 1 8 . 1 1 114 114 ASP N N 114 118.820 118.820 121.348 -2.528 18720 3384 1 8 . 1 1 114 114 ASP C C 114 178.460 178.460 178.190 0.270 18720 3385 1 8 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.138 0.202 18720 3386 1 8 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.504 0.566 18720 3387 1 8 . 1 1 115 115 ARG N N 115 120.870 120.870 119.651 1.219 18720 3388 1 8 . 1 1 115 115 ARG C C 115 179.440 179.440 178.681 0.759 18720 3389 1 8 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.317 0.333 18720 3390 1 8 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.012 0.688 18720 3391 1 8 . 1 1 116 116 ILE N N 116 119.500 119.500 118.800 0.700 18720 3392 1 8 . 1 1 116 116 ILE C C 116 177.680 177.680 177.922 -0.242 18720 3393 1 8 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.920 -1.980 18720 3394 1 8 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.569 -1.849 18720 3395 1 8 . 1 1 117 117 SER N N 117 115.890 115.890 115.921 -0.031 18720 3396 1 8 . 1 1 117 117 SER C C 117 176.720 176.720 176.837 -0.117 18720 3397 1 8 . 1 1 117 117 SER CA C 117 62.630 62.630 62.035 0.595 18720 3398 1 8 . 1 1 117 117 SER CB C 117 62.660 62.660 62.651 0.009 18720 3399 1 8 . 1 1 118 118 GLY N N 118 130.780 130.780 110.660 20.120 18720 3400 1 8 . 1 1 118 118 GLY C C 118 176.570 176.570 175.862 0.708 18720 3401 1 8 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.074 0.016 18720 3402 1 8 . 1 1 119 119 LEU N N 119 124.450 124.450 122.510 1.940 18720 3403 1 8 . 1 1 119 119 LEU C C 119 179.470 179.470 178.953 0.517 18720 3404 1 8 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.786 0.024 18720 3405 1 8 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.812 0.499 18720 3406 1 8 . 1 1 120 120 VAL N N 120 119.140 119.140 119.355 -0.215 18720 3407 1 8 . 1 1 120 120 VAL C C 120 177.380 177.380 177.944 -0.564 18720 3408 1 8 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.842 0.588 18720 3409 1 8 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.247 -0.377 18720 3410 1 8 . 1 1 121 121 ASN N N 121 116.650 116.650 118.544 -1.894 18720 3411 1 8 . 1 1 121 121 ASN C C 121 178.330 178.330 177.837 0.493 18720 3412 1 8 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.211 0.459 18720 3413 1 8 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.741 0.819 18720 3414 1 8 . 1 1 122 122 GLY N N 122 129.450 129.450 108.683 20.767 18720 3415 1 8 . 1 1 122 122 GLY C C 122 176.190 176.190 176.121 0.069 18720 3416 1 8 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.877 -0.097 18720 3417 1 8 . 1 1 123 123 LEU N N 123 121.510 121.510 122.263 -0.753 18720 3418 1 8 . 1 1 123 123 LEU C C 123 179.060 179.060 179.498 -0.438 18720 3419 1 8 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.353 -0.963 18720 3420 1 8 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.464 0.126 18720 3421 1 8 . 1 1 124 124 LEU N N 124 119.080 119.080 117.510 1.570 18720 3422 1 8 . 1 1 124 124 LEU C C 124 177.880 177.880 178.117 -0.237 18720 3423 1 8 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.336 -1.056 18720 3424 1 8 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.785 0.515 18720 3425 1 8 . 1 1 125 125 LYS N N 125 118.600 118.600 114.471 4.129 18720 3426 1 8 . 1 1 125 125 LYS C C 125 176.540 176.540 176.304 0.236 18720 3427 1 8 . 1 1 125 125 LYS CA C 125 56.470 56.470 55.796 0.674 18720 3428 1 8 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.588 0.142 18720 3429 1 8 . 1 1 126 126 SER N N 126 116.570 116.570 116.715 -0.145 18720 3430 1 8 . 1 1 126 126 SER C C 126 173.590 173.590 172.557 1.033 18720 3431 1 8 . 1 1 126 126 SER CA C 126 58.550 58.550 57.886 0.664 18720 3432 1 8 . 1 1 126 126 SER CB C 126 63.880 63.880 65.201 -1.321 18720 3433 1 9 . 1 1 2 2 ALA N N 2 123.960 123.960 125.593 -1.633 18720 3434 1 9 . 1 1 2 2 ALA C C 2 177.620 177.620 175.739 1.881 18720 3435 1 9 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.856 1.054 18720 3436 1 9 . 1 1 2 2 ALA CB C 2 19.050 19.050 21.096 -2.046 18720 3437 1 9 . 1 1 3 3 ASP N N 3 119.570 119.570 125.919 -6.349 18720 3438 1 9 . 1 1 3 3 ASP C C 3 177.150 177.150 176.568 0.582 18720 3439 1 9 . 1 1 3 3 ASP CA C 3 54.800 54.800 54.116 0.684 18720 3440 1 9 . 1 1 3 3 ASP CB C 3 41.610 41.610 39.961 1.649 18720 3441 1 9 . 1 1 4 4 GLU N N 4 123.110 123.110 123.390 -0.280 18720 3442 1 9 . 1 1 4 4 GLU C C 4 177.710 177.710 177.766 -0.056 18720 3443 1 9 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.070 -0.680 18720 3444 1 9 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.984 -0.184 18720 3445 1 9 . 1 1 5 5 SER N N 5 116.020 116.020 115.643 0.377 18720 3446 1 9 . 1 1 5 5 SER CA C 5 60.870 60.870 61.701 -0.831 18720 3447 1 9 . 1 1 5 5 SER CB C 5 62.940 62.940 62.643 0.297 18720 3448 1 9 . 1 1 6 6 ILE N N 6 123.790 123.790 120.846 2.944 18720 3449 1 9 . 1 1 6 6 ILE C C 6 178.180 178.180 178.066 0.114 18720 3450 1 9 . 1 1 6 6 ILE CA C 6 63.670 63.670 64.115 -0.445 18720 3451 1 9 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.577 1.083 18720 3452 1 9 . 1 1 7 7 THR N N 7 117.450 117.450 116.182 1.268 18720 3453 1 9 . 1 1 7 7 THR C C 7 176.030 176.030 176.776 -0.746 18720 3454 1 9 . 1 1 7 7 THR CA C 7 66.370 66.370 67.009 -0.639 18720 3455 1 9 . 1 1 7 7 THR CB C 7 68.640 68.640 68.297 0.343 18720 3456 1 9 . 1 1 8 8 ARG N N 8 120.770 120.770 122.080 -1.310 18720 3457 1 9 . 1 1 8 8 ARG C C 8 179.040 179.040 178.688 0.352 18720 3458 1 9 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.560 -0.170 18720 3459 1 9 . 1 1 8 8 ARG CB C 8 29.990 29.990 30.073 -0.083 18720 3460 1 9 . 1 1 9 9 MET N N 9 119.840 119.840 118.253 1.587 18720 3461 1 9 . 1 1 9 9 MET C C 9 178.760 178.760 178.459 0.301 18720 3462 1 9 . 1 1 9 9 MET CA C 9 58.240 58.240 59.446 -1.206 18720 3463 1 9 . 1 1 9 9 MET CB C 9 31.970 31.970 32.270 -0.300 18720 3464 1 9 . 1 1 10 10 ASN N N 10 120.190 120.190 118.613 1.577 18720 3465 1 9 . 1 1 10 10 ASN C C 10 176.660 176.660 177.788 -1.128 18720 3466 1 9 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.014 -0.374 18720 3467 1 9 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.237 0.073 18720 3468 1 9 . 1 1 11 11 LEU N N 11 121.490 121.490 121.203 0.287 18720 3469 1 9 . 1 1 11 11 LEU C C 11 177.690 177.690 177.952 -0.262 18720 3470 1 9 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.816 -0.426 18720 3471 1 9 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.522 -0.542 18720 3472 1 9 . 1 1 12 12 ALA N N 12 120.380 120.380 121.605 -1.225 18720 3473 1 9 . 1 1 12 12 ALA C C 12 179.910 179.910 179.467 0.443 18720 3474 1 9 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.105 -0.215 18720 3475 1 9 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.938 -0.378 18720 3476 1 9 . 1 1 13 13 ALA N N 13 119.960 119.960 121.056 -1.096 18720 3477 1 9 . 1 1 13 13 ALA C C 13 179.740 179.740 179.990 -0.250 18720 3478 1 9 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.632 0.198 18720 3479 1 9 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.251 -0.731 18720 3480 1 9 . 1 1 14 14 ILE N N 14 118.040 118.040 119.863 -1.823 18720 3481 1 9 . 1 1 14 14 ILE C C 14 178.220 178.220 177.753 0.467 18720 3482 1 9 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.128 -0.768 18720 3483 1 9 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.321 -0.181 18720 3484 1 9 . 1 1 15 15 LYS N N 15 118.740 118.740 117.286 1.454 18720 3485 1 9 . 1 1 15 15 LYS C C 15 177.440 177.440 178.282 -0.842 18720 3486 1 9 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.492 -0.672 18720 3487 1 9 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.827 1.063 18720 3488 1 9 . 1 1 16 16 LYS N N 16 115.750 115.750 118.901 -3.151 18720 3489 1 9 . 1 1 16 16 LYS C C 16 177.060 177.060 177.474 -0.414 18720 3490 1 9 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.741 -0.181 18720 3491 1 9 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.595 -0.005 18720 3492 1 9 . 1 1 17 17 ILE N N 17 115.830 115.830 115.597 0.233 18720 3493 1 9 . 1 1 17 17 ILE C C 17 175.500 175.500 175.894 -0.394 18720 3494 1 9 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.321 -0.881 18720 3495 1 9 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.469 -0.509 18720 3496 1 9 . 1 1 18 18 ASP N N 18 119.320 119.320 120.856 -1.536 18720 3497 1 9 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.369 -0.629 18720 3498 1 9 . 1 1 18 18 ASP CB C 18 40.710 40.710 40.969 -0.259 18720 3499 1 9 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.173 -0.573 18720 3500 1 9 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.716 0.294 18720 3501 1 9 . 1 1 20 20 TYR N N 20 115.540 115.540 114.233 1.307 18720 3502 1 9 . 1 1 20 20 TYR C C 20 175.350 175.350 174.439 0.911 18720 3503 1 9 . 1 1 20 20 TYR CA C 20 57.810 57.810 54.573 3.237 18720 3504 1 9 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.504 0.636 18720 3505 1 9 . 1 1 21 21 ALA N N 21 122.720 122.720 123.584 -0.864 18720 3506 1 9 . 1 1 21 21 ALA C C 21 175.410 175.410 176.529 -1.119 18720 3507 1 9 . 1 1 21 21 ALA CA C 21 54.330 54.330 50.985 3.345 18720 3508 1 9 . 1 1 21 21 ALA CB C 21 20.690 20.690 19.241 1.449 18720 3509 1 9 . 1 1 22 22 LYS N N 22 121.370 121.370 124.082 -2.712 18720 3510 1 9 . 1 1 22 22 LYS C C 22 175.400 175.400 176.836 -1.436 18720 3511 1 9 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.874 -0.055 18720 3512 1 9 . 1 1 22 22 LYS CB C 22 35.860 35.860 33.793 2.067 18720 3513 1 9 . 1 1 23 23 GLU N N 23 113.820 113.820 117.064 -3.244 18720 3514 1 9 . 1 1 23 23 GLU C C 23 174.470 174.470 174.378 0.092 18720 3515 1 9 . 1 1 23 23 GLU CA C 23 55.330 55.330 54.968 0.362 18720 3516 1 9 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.883 0.157 18720 3517 1 9 . 1 1 24 24 ILE N N 24 125.650 125.650 121.532 4.118 18720 3518 1 9 . 1 1 24 24 ILE C C 24 175.360 175.360 176.410 -1.050 18720 3519 1 9 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.556 1.214 18720 3520 1 9 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.305 -0.695 18720 3521 1 9 . 1 1 25 25 VAL N N 25 127.290 127.290 126.942 0.348 18720 3522 1 9 . 1 1 25 25 VAL C C 25 175.240 175.240 175.544 -0.304 18720 3523 1 9 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.457 -0.837 18720 3524 1 9 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.942 0.398 18720 3525 1 9 . 1 1 26 26 ASP N N 26 117.410 117.410 117.058 0.352 18720 3526 1 9 . 1 1 26 26 ASP C C 26 174.000 174.000 174.042 -0.042 18720 3527 1 9 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.289 -0.259 18720 3528 1 9 . 1 1 26 26 ASP CB C 26 44.710 44.710 43.924 0.786 18720 3529 1 9 . 1 1 27 27 SER N N 27 115.600 115.600 117.133 -1.533 18720 3530 1 9 . 1 1 27 27 SER C C 27 172.420 172.420 172.973 -0.553 18720 3531 1 9 . 1 1 27 27 SER CA C 27 57.200 57.200 57.015 0.185 18720 3532 1 9 . 1 1 27 27 SER CB C 27 67.230 67.230 65.745 1.486 18720 3533 1 9 . 1 1 28 28 SER N N 28 113.820 113.820 119.948 -6.128 18720 3534 1 9 . 1 1 28 28 SER C C 28 176.140 176.140 175.322 0.818 18720 3535 1 9 . 1 1 28 28 SER CA C 28 57.840 57.840 55.957 1.883 18720 3536 1 9 . 1 1 28 28 SER CB C 28 65.830 65.830 64.805 1.025 18720 3537 1 9 . 1 1 29 29 SER N N 29 121.670 121.670 124.734 -3.064 18720 3538 1 9 . 1 1 29 29 SER CA C 29 61.900 61.900 61.454 0.446 18720 3539 1 9 . 1 1 29 29 SER CB C 29 63.720 63.720 63.603 0.117 18720 3540 1 9 . 1 1 30 30 HIS CA C 30 56.630 56.630 55.888 0.742 18720 3541 1 9 . 1 1 31 31 VAL N N 31 127.450 127.450 125.878 1.572 18720 3542 1 9 . 1 1 31 31 VAL C C 31 173.480 173.480 173.396 0.084 18720 3543 1 9 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.771 -0.441 18720 3544 1 9 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.424 0.116 18720 3545 1 9 . 1 1 32 32 ALA N N 32 125.580 125.580 127.334 -1.754 18720 3546 1 9 . 1 1 32 32 ALA C C 32 175.260 175.260 175.033 0.227 18720 3547 1 9 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.907 0.903 18720 3548 1 9 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.135 -0.115 18720 3549 1 9 . 1 1 33 33 PHE N N 33 123.530 123.530 122.487 1.043 18720 3550 1 9 . 1 1 33 33 PHE C C 33 174.210 174.210 173.389 0.821 18720 3551 1 9 . 1 1 33 33 PHE CA C 33 56.050 56.050 56.785 -0.735 18720 3552 1 9 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.924 -0.904 18720 3553 1 9 . 1 1 34 34 TYR N N 34 130.040 130.040 126.101 3.939 18720 3554 1 9 . 1 1 34 34 TYR C C 34 173.300 173.300 175.015 -1.715 18720 3555 1 9 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.964 0.536 18720 3556 1 9 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.913 1.237 18720 3557 1 9 . 1 1 35 35 THR N N 35 109.080 109.080 118.266 -9.186 18720 3558 1 9 . 1 1 35 35 THR C C 35 172.150 172.150 172.672 -0.522 18720 3559 1 9 . 1 1 35 35 THR CA C 35 59.670 59.670 61.447 -1.777 18720 3560 1 9 . 1 1 35 35 THR CB C 35 70.820 70.820 71.638 -0.818 18720 3561 1 9 . 1 1 36 36 PHE N N 36 126.090 126.090 125.490 0.600 18720 3562 1 9 . 1 1 36 36 PHE C C 36 173.570 173.570 173.801 -0.231 18720 3563 1 9 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.434 1.476 18720 3564 1 9 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.225 -2.455 18720 3565 1 9 . 1 1 37 37 ASN N N 37 128.500 128.500 124.891 3.609 18720 3566 1 9 . 1 1 37 37 ASN C C 37 175.280 175.280 175.345 -0.065 18720 3567 1 9 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.277 0.253 18720 3568 1 9 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.410 -1.680 18720 3569 1 9 . 1 1 38 38 SER N N 38 121.880 121.880 121.392 0.488 18720 3570 1 9 . 1 1 38 38 SER CB C 38 63.050 63.050 63.213 -0.163 18720 3571 1 9 . 1 1 39 39 SER C C 39 175.410 175.410 176.281 -0.871 18720 3572 1 9 . 1 1 39 39 SER CA C 39 61.020 61.020 60.607 0.413 18720 3573 1 9 . 1 1 39 39 SER CB C 39 62.700 62.700 63.322 -0.622 18720 3574 1 9 . 1 1 40 40 GLN N N 40 117.370 117.370 119.387 -2.017 18720 3575 1 9 . 1 1 40 40 GLN C C 40 174.910 174.910 175.993 -1.083 18720 3576 1 9 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.549 -0.749 18720 3577 1 9 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.637 0.173 18720 3578 1 9 . 1 1 41 41 ASN N N 41 118.400 118.400 116.235 2.165 18720 3579 1 9 . 1 1 41 41 ASN C C 41 173.240 173.240 173.524 -0.284 18720 3580 1 9 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.269 -0.069 18720 3581 1 9 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.780 -0.140 18720 3582 1 9 . 1 1 42 42 GLU N N 42 112.910 112.910 116.753 -3.843 18720 3583 1 9 . 1 1 42 42 GLU C C 42 174.620 174.620 174.393 0.227 18720 3584 1 9 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.985 -0.875 18720 3585 1 9 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.443 1.007 18720 3586 1 9 . 1 1 43 43 TRP N N 43 123.140 123.140 120.540 2.600 18720 3587 1 9 . 1 1 43 43 TRP C C 43 175.850 175.850 176.904 -1.054 18720 3588 1 9 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.409 0.231 18720 3589 1 9 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.869 0.741 18720 3590 1 9 . 1 1 44 44 GLU N N 44 120.660 120.660 122.925 -2.265 18720 3591 1 9 . 1 1 44 44 GLU C C 44 175.030 175.030 175.388 -0.358 18720 3592 1 9 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.461 0.659 18720 3593 1 9 . 1 1 44 44 GLU CB C 44 32.110 32.110 32.603 -0.493 18720 3594 1 9 . 1 1 45 45 LYS N N 45 123.100 123.100 126.199 -3.099 18720 3595 1 9 . 1 1 45 45 LYS C C 45 176.810 176.810 176.774 0.036 18720 3596 1 9 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.586 0.374 18720 3597 1 9 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.996 0.344 18720 3598 1 9 . 1 1 46 46 THR N N 46 114.570 114.570 118.620 -4.050 18720 3599 1 9 . 1 1 46 46 THR C C 46 174.130 174.130 174.774 -0.644 18720 3600 1 9 . 1 1 46 46 THR CA C 46 61.720 61.720 60.787 0.933 18720 3601 1 9 . 1 1 46 46 THR CB C 46 71.720 71.720 69.954 1.766 18720 3602 1 9 . 1 1 47 47 ASP N N 47 118.590 118.590 119.054 -0.464 18720 3603 1 9 . 1 1 47 47 ASP C C 47 174.390 174.390 175.578 -1.188 18720 3604 1 9 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.419 -0.509 18720 3605 1 9 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.333 -0.463 18720 3606 1 9 . 1 1 48 48 VAL N N 48 118.730 118.730 121.332 -2.602 18720 3607 1 9 . 1 1 48 48 VAL C C 48 174.840 174.840 173.766 1.074 18720 3608 1 9 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.645 0.715 18720 3609 1 9 . 1 1 48 48 VAL CB C 48 32.390 32.390 32.415 -0.025 18720 3610 1 9 . 1 1 49 49 GLU N N 49 127.180 127.180 128.559 -1.379 18720 3611 1 9 . 1 1 49 49 GLU C C 49 174.140 174.140 175.068 -0.928 18720 3612 1 9 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.076 0.154 18720 3613 1 9 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.230 0.640 18720 3614 1 9 . 1 1 50 50 GLY N N 50 110.640 110.640 112.133 -1.493 18720 3615 1 9 . 1 1 50 50 GLY C C 50 171.360 171.360 171.965 -0.605 18720 3616 1 9 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.042 0.678 18720 3617 1 9 . 1 1 51 51 ALA N N 51 124.800 124.800 121.864 2.936 18720 3618 1 9 . 1 1 51 51 ALA C C 51 174.220 174.220 175.795 -1.575 18720 3619 1 9 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.421 1.249 18720 3620 1 9 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.724 -0.454 18720 3621 1 9 . 1 1 52 52 PHE N N 52 123.680 123.680 125.478 -1.798 18720 3622 1 9 . 1 1 52 52 PHE C C 52 173.650 173.650 173.386 0.264 18720 3623 1 9 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.270 -0.350 18720 3624 1 9 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.353 2.347 18720 3625 1 9 . 1 1 53 53 PHE N N 53 123.690 123.690 126.401 -2.711 18720 3626 1 9 . 1 1 53 53 PHE C C 53 174.760 174.760 174.115 0.645 18720 3627 1 9 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.510 1.010 18720 3628 1 9 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.598 -0.178 18720 3629 1 9 . 1 1 54 54 ILE N N 54 119.970 119.970 121.380 -1.410 18720 3630 1 9 . 1 1 54 54 ILE C C 54 175.240 175.240 174.731 0.509 18720 3631 1 9 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.841 -1.351 18720 3632 1 9 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.436 -0.546 18720 3633 1 9 . 1 1 55 55 TYR N N 55 125.670 125.670 126.691 -1.021 18720 3634 1 9 . 1 1 55 55 TYR C C 55 170.980 170.980 174.946 -3.966 18720 3635 1 9 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.516 0.804 18720 3636 1 9 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.889 2.091 18720 3637 1 9 . 1 1 56 56 HIS N N 56 121.710 121.710 122.638 -0.928 18720 3638 1 9 . 1 1 56 56 HIS C C 56 175.000 175.000 173.403 1.597 18720 3639 1 9 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.566 -1.835 18720 3640 1 9 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.522 -0.222 18720 3641 1 9 . 1 1 57 57 ARG N N 57 126.870 126.870 122.952 3.918 18720 3642 1 9 . 1 1 57 57 ARG C C 57 174.770 174.770 174.384 0.386 18720 3643 1 9 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.522 0.508 18720 3644 1 9 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.587 1.504 18720 3645 1 9 . 1 1 58 58 ASN N N 58 115.660 115.660 121.252 -5.592 18720 3646 1 9 . 1 1 58 58 ASN C C 58 173.540 173.540 173.926 -0.386 18720 3647 1 9 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.362 -0.592 18720 3648 1 9 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.815 1.365 18720 3649 1 9 . 1 1 59 59 ALA N N 59 120.190 120.190 121.142 -0.952 18720 3650 1 9 . 1 1 59 59 ALA C C 59 173.000 173.000 174.802 -1.802 18720 3651 1 9 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.734 -0.394 18720 3652 1 9 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.171 0.709 18720 3653 1 9 . 1 1 60 60 GLU N N 60 117.270 117.270 120.067 -2.797 18720 3654 1 9 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.733 -0.223 18720 3655 1 9 . 1 1 60 60 GLU CB C 60 29.670 29.670 28.895 0.775 18720 3656 1 9 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.706 -0.646 18720 3657 1 9 . 1 1 61 61 PRO CB C 61 33.630 33.630 31.983 1.647 18720 3658 1 9 . 1 1 62 62 PHE N N 62 120.680 120.680 119.405 1.275 18720 3659 1 9 . 1 1 62 62 PHE C C 62 174.840 174.840 175.629 -0.789 18720 3660 1 9 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.590 -0.810 18720 3661 1 9 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.905 -0.685 18720 3662 1 9 . 1 1 63 63 HIS N N 63 115.820 115.820 112.880 2.940 18720 3663 1 9 . 1 1 63 63 HIS C C 63 174.540 174.540 173.919 0.621 18720 3664 1 9 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.546 0.444 18720 3665 1 9 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.659 0.671 18720 3666 1 9 . 1 1 64 64 SER N N 64 114.040 114.040 116.479 -2.439 18720 3667 1 9 . 1 1 64 64 SER C C 64 169.620 169.620 172.169 -2.549 18720 3668 1 9 . 1 1 64 64 SER CA C 64 55.980 55.980 57.700 -1.720 18720 3669 1 9 . 1 1 64 64 SER CB C 64 66.770 66.770 65.643 1.127 18720 3670 1 9 . 1 1 65 65 ILE N N 65 125.090 125.090 122.871 2.219 18720 3671 1 9 . 1 1 65 65 ILE C C 65 174.630 174.630 173.837 0.793 18720 3672 1 9 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.530 -0.310 18720 3673 1 9 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.508 0.082 18720 3674 1 9 . 1 1 66 66 PHE N N 66 127.730 127.730 126.748 0.982 18720 3675 1 9 . 1 1 66 66 PHE C C 66 174.680 174.680 172.984 1.696 18720 3676 1 9 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.662 -0.362 18720 3677 1 9 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.201 1.829 18720 3678 1 9 . 1 1 67 67 ILE N N 67 124.780 124.780 124.286 0.494 18720 3679 1 9 . 1 1 67 67 ILE C C 67 174.180 174.180 173.694 0.486 18720 3680 1 9 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.593 0.077 18720 3681 1 9 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.447 -0.727 18720 3682 1 9 . 1 1 68 68 ASN N N 68 124.620 124.620 124.513 0.107 18720 3683 1 9 . 1 1 68 68 ASN C C 68 174.260 174.260 173.957 0.303 18720 3684 1 9 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.797 -0.727 18720 3685 1 9 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.699 -0.699 18720 3686 1 9 . 1 1 69 69 ASN N N 69 124.120 124.120 125.401 -1.281 18720 3687 1 9 . 1 1 69 69 ASN C C 69 175.740 175.740 175.722 0.018 18720 3688 1 9 . 1 1 69 69 ASN CA C 69 53.200 53.200 53.001 0.199 18720 3689 1 9 . 1 1 69 69 ASN CB C 69 39.520 39.520 39.014 0.506 18720 3690 1 9 . 1 1 70 70 ARG N N 70 123.310 123.310 128.002 -4.692 18720 3691 1 9 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.715 -1.755 18720 3692 1 9 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.607 0.453 18720 3693 1 9 . 1 1 73 73 THR C C 73 175.310 175.310 173.956 1.354 18720 3694 1 9 . 1 1 73 73 THR CA C 73 62.320 62.320 63.583 -1.263 18720 3695 1 9 . 1 1 73 73 THR CB C 73 69.070 69.070 67.011 2.059 18720 3696 1 9 . 1 1 74 74 THR N N 74 119.010 119.010 116.140 2.870 18720 3697 1 9 . 1 1 74 74 THR C C 74 173.810 173.810 173.099 0.711 18720 3698 1 9 . 1 1 74 74 THR CA C 74 62.700 62.700 60.917 1.783 18720 3699 1 9 . 1 1 74 74 THR CB C 74 69.750 69.750 72.245 -2.495 18720 3700 1 9 . 1 1 75 75 SER N N 75 120.750 120.750 117.638 3.112 18720 3701 1 9 . 1 1 75 75 SER C C 75 172.250 172.250 173.266 -1.016 18720 3702 1 9 . 1 1 75 75 SER CA C 75 58.300 58.300 57.329 0.971 18720 3703 1 9 . 1 1 75 75 SER CB C 75 65.290 65.290 65.064 0.226 18720 3704 1 9 . 1 1 76 76 PHE N N 76 122.090 122.090 125.693 -3.603 18720 3705 1 9 . 1 1 76 76 PHE C C 76 172.040 172.040 172.635 -0.595 18720 3706 1 9 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.792 -0.012 18720 3707 1 9 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.669 0.631 18720 3708 1 9 . 1 1 77 77 VAL N N 77 124.490 124.490 126.464 -1.974 18720 3709 1 9 . 1 1 77 77 VAL C C 77 174.390 174.390 173.379 1.011 18720 3710 1 9 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.516 0.224 18720 3711 1 9 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.038 0.572 18720 3712 1 9 . 1 1 78 78 GLU N N 78 125.760 125.760 127.189 -1.429 18720 3713 1 9 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.656 -0.536 18720 3714 1 9 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.160 0.630 18720 3715 1 9 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.524 0.246 18720 3716 1 9 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.661 -0.101 18720 3717 1 9 . 1 1 80 80 ILE N N 80 123.190 123.190 123.212 -0.022 18720 3718 1 9 . 1 1 80 80 ILE C C 80 174.250 174.250 175.886 -1.636 18720 3719 1 9 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.808 -0.388 18720 3720 1 9 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.565 -1.925 18720 3721 1 9 . 1 1 81 81 THR N N 81 115.840 115.840 118.354 -2.514 18720 3722 1 9 . 1 1 81 81 THR C C 81 174.140 174.140 175.106 -0.966 18720 3723 1 9 . 1 1 81 81 THR CA C 81 59.500 59.500 60.569 -1.069 18720 3724 1 9 . 1 1 81 81 THR CB C 81 71.030 71.030 71.779 -0.749 18720 3725 1 9 . 1 1 82 82 GLY N N 82 128.890 128.890 109.730 19.160 18720 3726 1 9 . 1 1 82 82 GLY C C 82 176.630 176.630 174.749 1.881 18720 3727 1 9 . 1 1 82 82 GLY CA C 82 46.420 46.420 44.937 1.484 18720 3728 1 9 . 1 1 83 83 SER N N 83 113.780 113.780 116.158 -2.378 18720 3729 1 9 . 1 1 83 83 SER C C 83 173.410 173.410 175.162 -1.752 18720 3730 1 9 . 1 1 83 83 SER CA C 83 57.840 57.840 58.568 -0.728 18720 3731 1 9 . 1 1 83 83 SER CB C 83 63.480 63.480 64.007 -0.527 18720 3732 1 9 . 1 1 84 84 LEU N N 84 123.770 123.770 124.684 -0.914 18720 3733 1 9 . 1 1 84 84 LEU C C 84 175.350 175.350 176.254 -0.904 18720 3734 1 9 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.189 0.941 18720 3735 1 9 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.616 0.074 18720 3736 1 9 . 1 1 85 85 GLU N N 85 124.380 124.380 123.100 1.280 18720 3737 1 9 . 1 1 85 85 GLU C C 85 174.280 174.280 174.657 -0.377 18720 3738 1 9 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.149 -0.279 18720 3739 1 9 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.279 1.141 18720 3740 1 9 . 1 1 86 86 LEU N N 86 121.400 121.400 124.531 -3.131 18720 3741 1 9 . 1 1 86 86 LEU C C 86 177.240 177.240 176.913 0.327 18720 3742 1 9 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.783 0.707 18720 3743 1 9 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.486 1.634 18720 3744 1 9 . 1 1 87 87 GLN N N 87 121.690 121.690 119.386 2.304 18720 3745 1 9 . 1 1 87 87 GLN C C 87 173.460 173.460 173.998 -0.538 18720 3746 1 9 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.806 1.274 18720 3747 1 9 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.364 -1.594 18720 3748 1 9 . 1 1 88 88 SER N N 88 120.000 120.000 117.846 2.154 18720 3749 1 9 . 1 1 88 88 SER C C 88 174.930 174.930 173.593 1.337 18720 3750 1 9 . 1 1 88 88 SER CA C 88 57.540 57.540 57.940 -0.400 18720 3751 1 9 . 1 1 88 88 SER CB C 88 63.750 63.750 63.087 0.663 18720 3752 1 9 . 1 1 89 89 GLN N N 89 129.170 129.170 127.267 1.903 18720 3753 1 9 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.570 1.050 18720 3754 1 9 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.704 -0.204 18720 3755 1 9 . 1 1 93 93 LEU C C 93 173.810 173.810 174.447 -0.637 18720 3756 1 9 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.887 0.003 18720 3757 1 9 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.394 0.396 18720 3758 1 9 . 1 1 94 94 LEU N N 94 125.950 125.950 128.000 -2.050 18720 3759 1 9 . 1 1 94 94 LEU C C 94 175.680 175.680 174.356 1.324 18720 3760 1 9 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.957 1.013 18720 3761 1 9 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.284 -2.004 18720 3762 1 9 . 1 1 95 95 TYR N N 95 118.250 118.250 121.087 -2.837 18720 3763 1 9 . 1 1 95 95 TYR C C 95 171.830 171.830 173.343 -1.513 18720 3764 1 9 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.476 1.644 18720 3765 1 9 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.177 0.433 18720 3766 1 9 . 1 1 96 96 ARG N N 96 114.570 114.570 120.052 -5.482 18720 3767 1 9 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.650 -1.450 18720 3768 1 9 . 1 1 96 96 ARG CB C 96 32.980 32.980 33.319 -0.339 18720 3769 1 9 . 1 1 99 99 ARG C C 99 175.470 175.470 175.356 0.114 18720 3770 1 9 . 1 1 99 99 ARG CB C 99 29.380 29.380 29.231 0.149 18720 3771 1 9 . 1 1 100 100 SER N N 100 110.460 110.460 110.234 0.226 18720 3772 1 9 . 1 1 100 100 SER C C 100 173.620 173.620 173.720 -0.100 18720 3773 1 9 . 1 1 100 100 SER CA C 100 59.570 59.570 59.860 -0.290 18720 3774 1 9 . 1 1 100 100 SER CB C 100 62.640 62.640 62.143 0.497 18720 3775 1 9 . 1 1 101 101 ARG N N 101 119.500 119.500 119.129 0.371 18720 3776 1 9 . 1 1 101 101 ARG C C 101 174.900 174.900 174.559 0.341 18720 3777 1 9 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.319 0.191 18720 3778 1 9 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.442 -1.972 18720 3779 1 9 . 1 1 102 102 ILE N N 102 124.730 124.730 122.548 2.182 18720 3780 1 9 . 1 1 102 102 ILE C C 102 175.360 175.360 174.841 0.519 18720 3781 1 9 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.576 1.094 18720 3782 1 9 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.425 -0.695 18720 3783 1 9 . 1 1 103 103 ARG N N 103 130.770 130.770 124.926 5.844 18720 3784 1 9 . 1 1 103 103 ARG C C 103 173.480 173.480 174.406 -0.926 18720 3785 1 9 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.272 0.558 18720 3786 1 9 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.740 1.550 18720 3787 1 9 . 1 1 104 104 GLY N N 104 128.260 128.260 107.948 20.312 18720 3788 1 9 . 1 1 104 104 GLY C C 104 170.890 170.890 171.498 -0.608 18720 3789 1 9 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.109 2.330 18720 3790 1 9 . 1 1 105 105 PHE N N 105 118.120 118.120 117.852 0.268 18720 3791 1 9 . 1 1 105 105 PHE C C 105 173.920 173.920 173.658 0.262 18720 3792 1 9 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.694 -2.034 18720 3793 1 9 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.958 -0.738 18720 3794 1 9 . 1 1 106 106 TRP N N 106 124.290 124.290 124.040 0.250 18720 3795 1 9 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.701 -0.291 18720 3796 1 9 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.281 -0.401 18720 3797 1 9 . 1 1 110 110 SER C C 110 175.240 175.240 176.045 -0.805 18720 3798 1 9 . 1 1 110 110 SER CA C 110 62.920 62.920 60.970 1.950 18720 3799 1 9 . 1 1 110 110 SER CB C 110 64.980 64.980 63.334 1.646 18720 3800 1 9 . 1 1 111 111 GLU N N 111 122.310 122.310 120.535 1.775 18720 3801 1 9 . 1 1 111 111 GLU C C 111 179.150 179.150 178.530 0.620 18720 3802 1 9 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.138 0.402 18720 3803 1 9 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.149 -0.580 18720 3804 1 9 . 1 1 112 112 GLU N N 112 118.920 118.920 120.266 -1.346 18720 3805 1 9 . 1 1 112 112 GLU C C 112 176.360 176.360 178.431 -2.071 18720 3806 1 9 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.064 -0.984 18720 3807 1 9 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.496 0.744 18720 3808 1 9 . 1 1 113 113 CYS N N 113 117.090 117.090 117.257 -0.167 18720 3809 1 9 . 1 1 113 113 CYS C C 113 176.110 176.110 176.035 0.075 18720 3810 1 9 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.983 -1.483 18720 3811 1 9 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.911 -0.111 18720 3812 1 9 . 1 1 114 114 ASP N N 114 118.820 118.820 120.542 -1.722 18720 3813 1 9 . 1 1 114 114 ASP C C 114 178.460 178.460 178.216 0.244 18720 3814 1 9 . 1 1 114 114 ASP CA C 114 57.340 57.340 56.898 0.442 18720 3815 1 9 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.612 0.458 18720 3816 1 9 . 1 1 115 115 ARG N N 115 120.870 120.870 119.008 1.862 18720 3817 1 9 . 1 1 115 115 ARG C C 115 179.440 179.440 178.788 0.652 18720 3818 1 9 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.491 0.159 18720 3819 1 9 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.110 0.590 18720 3820 1 9 . 1 1 116 116 ILE N N 116 119.500 119.500 119.294 0.206 18720 3821 1 9 . 1 1 116 116 ILE C C 116 177.680 177.680 177.975 -0.295 18720 3822 1 9 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.514 -1.574 18720 3823 1 9 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.680 -1.960 18720 3824 1 9 . 1 1 117 117 SER N N 117 115.890 115.890 115.672 0.218 18720 3825 1 9 . 1 1 117 117 SER C C 117 176.720 176.720 176.982 -0.262 18720 3826 1 9 . 1 1 117 117 SER CA C 117 62.630 62.630 61.648 0.982 18720 3827 1 9 . 1 1 117 117 SER CB C 117 62.660 62.660 62.674 -0.014 18720 3828 1 9 . 1 1 118 118 GLY N N 118 130.780 130.780 110.387 20.393 18720 3829 1 9 . 1 1 118 118 GLY C C 118 176.570 176.570 175.833 0.737 18720 3830 1 9 . 1 1 118 118 GLY CA C 118 47.090 47.090 46.971 0.119 18720 3831 1 9 . 1 1 119 119 LEU N N 119 124.450 124.450 122.503 1.947 18720 3832 1 9 . 1 1 119 119 LEU C C 119 179.470 179.470 179.007 0.463 18720 3833 1 9 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.834 -0.024 18720 3834 1 9 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.793 0.517 18720 3835 1 9 . 1 1 120 120 VAL N N 120 119.140 119.140 118.840 0.300 18720 3836 1 9 . 1 1 120 120 VAL C C 120 177.380 177.380 178.071 -0.691 18720 3837 1 9 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.752 0.678 18720 3838 1 9 . 1 1 120 120 VAL CB C 120 30.870 30.870 30.918 -0.048 18720 3839 1 9 . 1 1 121 121 ASN N N 121 116.650 116.650 118.669 -2.019 18720 3840 1 9 . 1 1 121 121 ASN C C 121 178.330 178.330 177.658 0.672 18720 3841 1 9 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.989 -0.320 18720 3842 1 9 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.975 0.585 18720 3843 1 9 . 1 1 122 122 GLY N N 122 129.450 129.450 108.662 20.788 18720 3844 1 9 . 1 1 122 122 GLY C C 122 176.190 176.190 175.844 0.346 18720 3845 1 9 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.889 -0.109 18720 3846 1 9 . 1 1 123 123 LEU N N 123 121.510 121.510 121.840 -0.330 18720 3847 1 9 . 1 1 123 123 LEU C C 123 179.060 179.060 178.245 0.815 18720 3848 1 9 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.127 -0.737 18720 3849 1 9 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.782 -0.192 18720 3850 1 9 . 1 1 124 124 LEU N N 124 119.080 119.080 116.134 2.946 18720 3851 1 9 . 1 1 124 124 LEU C C 124 177.880 177.880 179.262 -1.382 18720 3852 1 9 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.268 -0.988 18720 3853 1 9 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.962 0.338 18720 3854 1 9 . 1 1 125 125 LYS N N 125 118.600 118.600 116.872 1.728 18720 3855 1 9 . 1 1 125 125 LYS C C 125 176.540 176.540 177.305 -0.765 18720 3856 1 9 . 1 1 125 125 LYS CA C 125 56.470 56.470 57.709 -1.239 18720 3857 1 9 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.605 0.125 18720 3858 1 9 . 1 1 126 126 SER N N 126 116.570 116.570 117.478 -0.908 18720 3859 1 9 . 1 1 126 126 SER C C 126 173.590 173.590 173.828 -0.238 18720 3860 1 9 . 1 1 126 126 SER CA C 126 58.550 58.550 57.968 0.583 18720 3861 1 9 . 1 1 126 126 SER CB C 126 63.880 63.880 64.893 -1.013 18720 3862 1 10 . 1 1 2 2 ALA N N 2 123.960 123.960 125.868 -1.908 18720 3863 1 10 . 1 1 2 2 ALA C C 2 177.620 177.620 176.760 0.860 18720 3864 1 10 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.695 1.215 18720 3865 1 10 . 1 1 2 2 ALA CB C 2 19.050 19.050 19.289 -0.239 18720 3866 1 10 . 1 1 3 3 ASP N N 3 119.570 119.570 123.922 -4.352 18720 3867 1 10 . 1 1 3 3 ASP C C 3 177.150 177.150 177.199 -0.049 18720 3868 1 10 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.369 1.431 18720 3869 1 10 . 1 1 3 3 ASP CB C 3 41.610 41.610 43.286 -1.676 18720 3870 1 10 . 1 1 4 4 GLU N N 4 123.110 123.110 122.364 0.746 18720 3871 1 10 . 1 1 4 4 GLU C C 4 177.710 177.710 178.318 -0.608 18720 3872 1 10 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.752 -1.362 18720 3873 1 10 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.879 -0.079 18720 3874 1 10 . 1 1 5 5 SER N N 5 116.020 116.020 115.272 0.748 18720 3875 1 10 . 1 1 5 5 SER CA C 5 60.870 60.870 61.286 -0.416 18720 3876 1 10 . 1 1 5 5 SER CB C 5 62.940 62.940 62.966 -0.026 18720 3877 1 10 . 1 1 6 6 ILE N N 6 123.790 123.790 122.427 1.363 18720 3878 1 10 . 1 1 6 6 ILE C C 6 178.180 178.180 178.255 -0.075 18720 3879 1 10 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.020 0.649 18720 3880 1 10 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.627 1.033 18720 3881 1 10 . 1 1 7 7 THR N N 7 117.450 117.450 117.112 0.338 18720 3882 1 10 . 1 1 7 7 THR C C 7 176.030 176.030 176.530 -0.500 18720 3883 1 10 . 1 1 7 7 THR CA C 7 66.370 66.370 66.790 -0.420 18720 3884 1 10 . 1 1 7 7 THR CB C 7 68.640 68.640 68.407 0.233 18720 3885 1 10 . 1 1 8 8 ARG N N 8 120.770 120.770 122.131 -1.361 18720 3886 1 10 . 1 1 8 8 ARG C C 8 179.040 179.040 178.268 0.772 18720 3887 1 10 . 1 1 8 8 ARG CA C 8 59.390 59.390 58.994 0.396 18720 3888 1 10 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.715 0.275 18720 3889 1 10 . 1 1 9 9 MET N N 9 119.840 119.840 118.040 1.800 18720 3890 1 10 . 1 1 9 9 MET C C 9 178.760 178.760 178.455 0.305 18720 3891 1 10 . 1 1 9 9 MET CA C 9 58.240 58.240 59.624 -1.384 18720 3892 1 10 . 1 1 9 9 MET CB C 9 31.970 31.970 32.213 -0.243 18720 3893 1 10 . 1 1 10 10 ASN N N 10 120.190 120.190 118.914 1.276 18720 3894 1 10 . 1 1 10 10 ASN C C 10 176.660 176.660 177.652 -0.992 18720 3895 1 10 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.258 -0.618 18720 3896 1 10 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.516 -0.206 18720 3897 1 10 . 1 1 11 11 LEU N N 11 121.490 121.490 120.738 0.752 18720 3898 1 10 . 1 1 11 11 LEU C C 11 177.690 177.690 177.853 -0.163 18720 3899 1 10 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.770 -0.380 18720 3900 1 10 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.557 -0.577 18720 3901 1 10 . 1 1 12 12 ALA N N 12 120.380 120.380 121.527 -1.147 18720 3902 1 10 . 1 1 12 12 ALA C C 12 179.910 179.910 179.461 0.449 18720 3903 1 10 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.096 -0.206 18720 3904 1 10 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.934 -0.374 18720 3905 1 10 . 1 1 13 13 ALA N N 13 119.960 119.960 121.070 -1.110 18720 3906 1 10 . 1 1 13 13 ALA C C 13 179.740 179.740 179.994 -0.254 18720 3907 1 10 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.639 0.191 18720 3908 1 10 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.241 -0.722 18720 3909 1 10 . 1 1 14 14 ILE N N 14 118.040 118.040 119.789 -1.749 18720 3910 1 10 . 1 1 14 14 ILE C C 14 178.220 178.220 177.740 0.480 18720 3911 1 10 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.099 -0.739 18720 3912 1 10 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.249 -0.110 18720 3913 1 10 . 1 1 15 15 LYS N N 15 118.740 118.740 117.501 1.239 18720 3914 1 10 . 1 1 15 15 LYS C C 15 177.440 177.440 178.596 -1.156 18720 3915 1 10 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.595 -0.775 18720 3916 1 10 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.821 1.069 18720 3917 1 10 . 1 1 16 16 LYS N N 16 115.750 115.750 119.016 -3.266 18720 3918 1 10 . 1 1 16 16 LYS C C 16 177.060 177.060 177.464 -0.404 18720 3919 1 10 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.780 -0.220 18720 3920 1 10 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.596 -0.006 18720 3921 1 10 . 1 1 17 17 ILE N N 17 115.830 115.830 113.999 1.831 18720 3922 1 10 . 1 1 17 17 ILE C C 17 175.500 175.500 175.804 -0.304 18720 3923 1 10 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.328 -0.888 18720 3924 1 10 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.292 -0.332 18720 3925 1 10 . 1 1 18 18 ASP N N 18 119.320 119.320 121.645 -2.325 18720 3926 1 10 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.415 -0.675 18720 3927 1 10 . 1 1 18 18 ASP CB C 18 40.710 40.710 41.835 -1.125 18720 3928 1 10 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.116 -0.516 18720 3929 1 10 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.762 0.248 18720 3930 1 10 . 1 1 20 20 TYR N N 20 115.540 115.540 113.308 2.232 18720 3931 1 10 . 1 1 20 20 TYR C C 20 175.350 175.350 174.578 0.772 18720 3932 1 10 . 1 1 20 20 TYR CA C 20 57.810 57.810 55.122 2.688 18720 3933 1 10 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.975 0.165 18720 3934 1 10 . 1 1 21 21 ALA N N 21 122.720 122.720 122.762 -0.042 18720 3935 1 10 . 1 1 21 21 ALA C C 21 175.410 175.410 175.766 -0.356 18720 3936 1 10 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.349 2.981 18720 3937 1 10 . 1 1 21 21 ALA CB C 21 20.690 20.690 19.149 1.541 18720 3938 1 10 . 1 1 22 22 LYS N N 22 121.370 121.370 124.358 -2.988 18720 3939 1 10 . 1 1 22 22 LYS C C 22 175.400 175.400 176.352 -0.952 18720 3940 1 10 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.876 -0.056 18720 3941 1 10 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.481 1.379 18720 3942 1 10 . 1 1 23 23 GLU N N 23 113.820 113.820 119.211 -5.391 18720 3943 1 10 . 1 1 23 23 GLU C C 23 174.470 174.470 174.507 -0.037 18720 3944 1 10 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.058 0.272 18720 3945 1 10 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.935 0.105 18720 3946 1 10 . 1 1 24 24 ILE N N 24 125.650 125.650 124.542 1.108 18720 3947 1 10 . 1 1 24 24 ILE C C 24 175.360 175.360 176.390 -1.030 18720 3948 1 10 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.574 1.196 18720 3949 1 10 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.473 -0.863 18720 3950 1 10 . 1 1 25 25 VAL N N 25 127.290 127.290 127.211 0.079 18720 3951 1 10 . 1 1 25 25 VAL C C 25 175.240 175.240 176.014 -0.774 18720 3952 1 10 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.156 -0.536 18720 3953 1 10 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.743 0.597 18720 3954 1 10 . 1 1 26 26 ASP N N 26 117.410 117.410 116.919 0.491 18720 3955 1 10 . 1 1 26 26 ASP C C 26 174.000 174.000 174.102 -0.102 18720 3956 1 10 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.394 -0.364 18720 3957 1 10 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.336 0.374 18720 3958 1 10 . 1 1 27 27 SER N N 27 115.600 115.600 117.294 -1.694 18720 3959 1 10 . 1 1 27 27 SER C C 27 172.420 172.420 173.049 -0.629 18720 3960 1 10 . 1 1 27 27 SER CA C 27 57.200 57.200 56.915 0.285 18720 3961 1 10 . 1 1 27 27 SER CB C 27 67.230 67.230 65.906 1.324 18720 3962 1 10 . 1 1 28 28 SER N N 28 113.820 113.820 119.345 -5.525 18720 3963 1 10 . 1 1 28 28 SER C C 28 176.140 176.140 176.059 0.081 18720 3964 1 10 . 1 1 28 28 SER CA C 28 57.840 57.840 56.075 1.765 18720 3965 1 10 . 1 1 28 28 SER CB C 28 65.830 65.830 65.457 0.373 18720 3966 1 10 . 1 1 29 29 SER N N 29 121.670 121.670 123.465 -1.795 18720 3967 1 10 . 1 1 29 29 SER CA C 29 61.900 61.900 61.782 0.118 18720 3968 1 10 . 1 1 29 29 SER CB C 29 63.720 63.720 63.624 0.096 18720 3969 1 10 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.031 0.600 18720 3970 1 10 . 1 1 31 31 VAL N N 31 127.450 127.450 125.733 1.717 18720 3971 1 10 . 1 1 31 31 VAL C C 31 173.480 173.480 173.450 0.030 18720 3972 1 10 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.962 -0.632 18720 3973 1 10 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.507 0.033 18720 3974 1 10 . 1 1 32 32 ALA N N 32 125.580 125.580 127.411 -1.831 18720 3975 1 10 . 1 1 32 32 ALA C C 32 175.260 175.260 174.928 0.332 18720 3976 1 10 . 1 1 32 32 ALA CA C 32 50.810 50.810 50.004 0.806 18720 3977 1 10 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.222 -0.202 18720 3978 1 10 . 1 1 33 33 PHE N N 33 123.530 123.530 122.744 0.786 18720 3979 1 10 . 1 1 33 33 PHE C C 33 174.210 174.210 173.185 1.025 18720 3980 1 10 . 1 1 33 33 PHE CA C 33 56.050 56.050 54.588 1.462 18720 3981 1 10 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.206 -0.186 18720 3982 1 10 . 1 1 34 34 TYR N N 34 130.040 130.040 126.012 4.028 18720 3983 1 10 . 1 1 34 34 TYR C C 34 173.300 173.300 174.793 -1.493 18720 3984 1 10 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.701 0.799 18720 3985 1 10 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.881 1.269 18720 3986 1 10 . 1 1 35 35 THR N N 35 109.080 109.080 118.155 -9.075 18720 3987 1 10 . 1 1 35 35 THR C C 35 172.150 172.150 172.693 -0.543 18720 3988 1 10 . 1 1 35 35 THR CA C 35 59.670 59.670 61.710 -2.040 18720 3989 1 10 . 1 1 35 35 THR CB C 35 70.820 70.820 71.226 -0.406 18720 3990 1 10 . 1 1 36 36 PHE N N 36 126.090 126.090 126.018 0.072 18720 3991 1 10 . 1 1 36 36 PHE C C 36 173.570 173.570 173.565 0.005 18720 3992 1 10 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.359 1.551 18720 3993 1 10 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.367 -2.598 18720 3994 1 10 . 1 1 37 37 ASN N N 37 128.500 128.500 125.799 2.701 18720 3995 1 10 . 1 1 37 37 ASN C C 37 175.280 175.280 174.795 0.485 18720 3996 1 10 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.828 -0.298 18720 3997 1 10 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.374 -1.644 18720 3998 1 10 . 1 1 38 38 SER N N 38 121.880 121.880 121.965 -0.085 18720 3999 1 10 . 1 1 38 38 SER CB C 38 63.050 63.050 63.412 -0.362 18720 4000 1 10 . 1 1 39 39 SER C C 39 175.410 175.410 175.681 -0.271 18720 4001 1 10 . 1 1 39 39 SER CA C 39 61.020 61.020 60.944 0.076 18720 4002 1 10 . 1 1 39 39 SER CB C 39 62.700 62.700 63.331 -0.631 18720 4003 1 10 . 1 1 40 40 GLN N N 40 117.370 117.370 118.833 -1.463 18720 4004 1 10 . 1 1 40 40 GLN C C 40 174.910 174.910 175.790 -0.880 18720 4005 1 10 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.663 -0.862 18720 4006 1 10 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.532 0.279 18720 4007 1 10 . 1 1 41 41 ASN N N 41 118.400 118.400 116.443 1.957 18720 4008 1 10 . 1 1 41 41 ASN C C 41 173.240 173.240 173.418 -0.178 18720 4009 1 10 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.089 0.111 18720 4010 1 10 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.746 -0.106 18720 4011 1 10 . 1 1 42 42 GLU N N 42 112.910 112.910 117.155 -4.245 18720 4012 1 10 . 1 1 42 42 GLU C C 42 174.620 174.620 174.468 0.152 18720 4013 1 10 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.725 -0.615 18720 4014 1 10 . 1 1 42 42 GLU CB C 42 34.450 34.450 32.655 1.795 18720 4015 1 10 . 1 1 43 43 TRP N N 43 123.140 123.140 122.280 0.860 18720 4016 1 10 . 1 1 43 43 TRP C C 43 175.850 175.850 176.737 -0.887 18720 4017 1 10 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.563 0.077 18720 4018 1 10 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.633 0.977 18720 4019 1 10 . 1 1 44 44 GLU N N 44 120.660 120.660 122.664 -2.004 18720 4020 1 10 . 1 1 44 44 GLU C C 44 175.030 175.030 175.559 -0.529 18720 4021 1 10 . 1 1 44 44 GLU CA C 44 55.120 55.120 55.164 -0.044 18720 4022 1 10 . 1 1 44 44 GLU CB C 44 32.110 32.110 33.078 -0.968 18720 4023 1 10 . 1 1 45 45 LYS N N 45 123.100 123.100 124.368 -1.268 18720 4024 1 10 . 1 1 45 45 LYS C C 45 176.810 176.810 176.444 0.366 18720 4025 1 10 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.092 0.868 18720 4026 1 10 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.421 0.919 18720 4027 1 10 . 1 1 46 46 THR N N 46 114.570 114.570 116.477 -1.907 18720 4028 1 10 . 1 1 46 46 THR C C 46 174.130 174.130 174.669 -0.539 18720 4029 1 10 . 1 1 46 46 THR CA C 46 61.720 61.720 60.582 1.138 18720 4030 1 10 . 1 1 46 46 THR CB C 46 71.720 71.720 69.504 2.216 18720 4031 1 10 . 1 1 47 47 ASP N N 47 118.590 118.590 119.452 -0.862 18720 4032 1 10 . 1 1 47 47 ASP C C 47 174.390 174.390 176.230 -1.840 18720 4033 1 10 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.984 -1.074 18720 4034 1 10 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.547 -0.677 18720 4035 1 10 . 1 1 48 48 VAL N N 48 118.730 118.730 120.304 -1.574 18720 4036 1 10 . 1 1 48 48 VAL C C 48 174.840 174.840 174.178 0.662 18720 4037 1 10 . 1 1 48 48 VAL CA C 48 62.360 62.360 63.121 -0.761 18720 4038 1 10 . 1 1 48 48 VAL CB C 48 32.390 32.390 30.866 1.524 18720 4039 1 10 . 1 1 49 49 GLU N N 49 127.180 127.180 129.004 -1.824 18720 4040 1 10 . 1 1 49 49 GLU C C 49 174.140 174.140 174.854 -0.714 18720 4041 1 10 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.060 0.170 18720 4042 1 10 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.417 0.453 18720 4043 1 10 . 1 1 50 50 GLY N N 50 110.640 110.640 111.957 -1.317 18720 4044 1 10 . 1 1 50 50 GLY C C 50 171.360 171.360 171.876 -0.516 18720 4045 1 10 . 1 1 50 50 GLY CA C 50 45.720 45.720 44.965 0.755 18720 4046 1 10 . 1 1 51 51 ALA N N 51 124.800 124.800 121.867 2.933 18720 4047 1 10 . 1 1 51 51 ALA C C 51 174.220 174.220 175.819 -1.599 18720 4048 1 10 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.385 1.285 18720 4049 1 10 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.653 -0.383 18720 4050 1 10 . 1 1 52 52 PHE N N 52 123.680 123.680 125.768 -2.088 18720 4051 1 10 . 1 1 52 52 PHE C C 52 173.650 173.650 173.407 0.243 18720 4052 1 10 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.313 -0.393 18720 4053 1 10 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.379 2.321 18720 4054 1 10 . 1 1 53 53 PHE N N 53 123.690 123.690 126.471 -2.781 18720 4055 1 10 . 1 1 53 53 PHE C C 53 174.760 174.760 174.120 0.640 18720 4056 1 10 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.509 1.011 18720 4057 1 10 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.575 -0.155 18720 4058 1 10 . 1 1 54 54 ILE N N 54 119.970 119.970 121.410 -1.440 18720 4059 1 10 . 1 1 54 54 ILE C C 54 175.240 175.240 174.726 0.514 18720 4060 1 10 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.825 -1.335 18720 4061 1 10 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.424 -0.534 18720 4062 1 10 . 1 1 55 55 TYR N N 55 125.670 125.670 126.732 -1.062 18720 4063 1 10 . 1 1 55 55 TYR C C 55 170.980 170.980 175.006 -4.026 18720 4064 1 10 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.392 0.929 18720 4065 1 10 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.784 2.196 18720 4066 1 10 . 1 1 56 56 HIS N N 56 121.710 121.710 122.833 -1.123 18720 4067 1 10 . 1 1 56 56 HIS C C 56 175.000 175.000 173.561 1.439 18720 4068 1 10 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.648 -1.918 18720 4069 1 10 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.356 -0.056 18720 4070 1 10 . 1 1 57 57 ARG N N 57 126.870 126.870 124.994 1.876 18720 4071 1 10 . 1 1 57 57 ARG C C 57 174.770 174.770 174.174 0.596 18720 4072 1 10 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.613 0.417 18720 4073 1 10 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.191 1.899 18720 4074 1 10 . 1 1 58 58 ASN N N 58 115.660 115.660 120.968 -5.308 18720 4075 1 10 . 1 1 58 58 ASN C C 58 173.540 173.540 174.007 -0.467 18720 4076 1 10 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.753 -0.983 18720 4077 1 10 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.684 1.496 18720 4078 1 10 . 1 1 59 59 ALA N N 59 120.190 120.190 121.503 -1.313 18720 4079 1 10 . 1 1 59 59 ALA C C 59 173.000 173.000 174.939 -1.939 18720 4080 1 10 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.832 -0.492 18720 4081 1 10 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.124 0.756 18720 4082 1 10 . 1 1 60 60 GLU N N 60 117.270 117.270 119.584 -2.314 18720 4083 1 10 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.708 -0.198 18720 4084 1 10 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.418 0.252 18720 4085 1 10 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.374 -0.314 18720 4086 1 10 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.469 1.161 18720 4087 1 10 . 1 1 62 62 PHE N N 62 120.680 120.680 119.646 1.034 18720 4088 1 10 . 1 1 62 62 PHE C C 62 174.840 174.840 175.486 -0.646 18720 4089 1 10 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.585 -0.805 18720 4090 1 10 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.801 -0.581 18720 4091 1 10 . 1 1 63 63 HIS N N 63 115.820 115.820 112.671 3.149 18720 4092 1 10 . 1 1 63 63 HIS C C 63 174.540 174.540 174.017 0.523 18720 4093 1 10 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.493 0.497 18720 4094 1 10 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.572 0.758 18720 4095 1 10 . 1 1 64 64 SER N N 64 114.040 114.040 116.543 -2.503 18720 4096 1 10 . 1 1 64 64 SER C C 64 169.620 169.620 172.161 -2.541 18720 4097 1 10 . 1 1 64 64 SER CA C 64 55.980 55.980 57.783 -1.803 18720 4098 1 10 . 1 1 64 64 SER CB C 64 66.770 66.770 65.664 1.106 18720 4099 1 10 . 1 1 65 65 ILE N N 65 125.090 125.090 123.094 1.996 18720 4100 1 10 . 1 1 65 65 ILE C C 65 174.630 174.630 173.790 0.840 18720 4101 1 10 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.548 -0.328 18720 4102 1 10 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.376 0.214 18720 4103 1 10 . 1 1 66 66 PHE N N 66 127.730 127.730 126.650 1.080 18720 4104 1 10 . 1 1 66 66 PHE C C 66 174.680 174.680 172.961 1.719 18720 4105 1 10 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.671 -0.371 18720 4106 1 10 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.183 1.847 18720 4107 1 10 . 1 1 67 67 ILE N N 67 124.780 124.780 124.337 0.443 18720 4108 1 10 . 1 1 67 67 ILE C C 67 174.180 174.180 173.648 0.532 18720 4109 1 10 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.557 0.113 18720 4110 1 10 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.377 -0.657 18720 4111 1 10 . 1 1 68 68 ASN N N 68 124.620 124.620 124.612 0.008 18720 4112 1 10 . 1 1 68 68 ASN C C 68 174.260 174.260 173.904 0.356 18720 4113 1 10 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.871 -0.801 18720 4114 1 10 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.591 -0.591 18720 4115 1 10 . 1 1 69 69 ASN N N 69 124.120 124.120 125.316 -1.196 18720 4116 1 10 . 1 1 69 69 ASN C C 69 175.740 175.740 175.648 0.092 18720 4117 1 10 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.744 0.456 18720 4118 1 10 . 1 1 69 69 ASN CB C 69 39.520 39.520 39.052 0.468 18720 4119 1 10 . 1 1 70 70 ARG N N 70 123.310 123.310 127.941 -4.631 18720 4120 1 10 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.623 -1.663 18720 4121 1 10 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.562 0.498 18720 4122 1 10 . 1 1 73 73 THR C C 73 175.310 175.310 173.062 2.248 18720 4123 1 10 . 1 1 73 73 THR CA C 73 62.320 62.320 64.154 -1.834 18720 4124 1 10 . 1 1 73 73 THR CB C 73 69.070 69.070 66.278 2.792 18720 4125 1 10 . 1 1 74 74 THR N N 74 119.010 119.010 115.664 3.346 18720 4126 1 10 . 1 1 74 74 THR C C 74 173.810 173.810 172.902 0.908 18720 4127 1 10 . 1 1 74 74 THR CA C 74 62.700 62.700 60.922 1.778 18720 4128 1 10 . 1 1 74 74 THR CB C 74 69.750 69.750 72.237 -2.487 18720 4129 1 10 . 1 1 75 75 SER N N 75 120.750 120.750 118.461 2.289 18720 4130 1 10 . 1 1 75 75 SER C C 75 172.250 172.250 173.415 -1.165 18720 4131 1 10 . 1 1 75 75 SER CA C 75 58.300 58.300 57.382 0.918 18720 4132 1 10 . 1 1 75 75 SER CB C 75 65.290 65.290 65.010 0.280 18720 4133 1 10 . 1 1 76 76 PHE N N 76 122.090 122.090 125.728 -3.638 18720 4134 1 10 . 1 1 76 76 PHE C C 76 172.040 172.040 172.690 -0.650 18720 4135 1 10 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.785 -0.005 18720 4136 1 10 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.774 0.526 18720 4137 1 10 . 1 1 77 77 VAL N N 77 124.490 124.490 126.413 -1.923 18720 4138 1 10 . 1 1 77 77 VAL C C 77 174.390 174.390 173.525 0.865 18720 4139 1 10 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.738 0.002 18720 4140 1 10 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.183 0.427 18720 4141 1 10 . 1 1 78 78 GLU N N 78 125.760 125.760 127.273 -1.513 18720 4142 1 10 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.936 -0.816 18720 4143 1 10 . 1 1 78 78 GLU CB C 78 33.790 33.790 32.965 0.825 18720 4144 1 10 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.385 0.385 18720 4145 1 10 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.740 -0.180 18720 4146 1 10 . 1 1 80 80 ILE N N 80 123.190 123.190 123.168 0.022 18720 4147 1 10 . 1 1 80 80 ILE C C 80 174.250 174.250 176.034 -1.784 18720 4148 1 10 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.349 0.070 18720 4149 1 10 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.011 -1.371 18720 4150 1 10 . 1 1 81 81 THR N N 81 115.840 115.840 117.806 -1.966 18720 4151 1 10 . 1 1 81 81 THR C C 81 174.140 174.140 175.549 -1.409 18720 4152 1 10 . 1 1 81 81 THR CA C 81 59.500 59.500 61.008 -1.508 18720 4153 1 10 . 1 1 81 81 THR CB C 81 71.030 71.030 70.893 0.137 18720 4154 1 10 . 1 1 82 82 GLY N N 82 128.890 128.890 109.585 19.305 18720 4155 1 10 . 1 1 82 82 GLY C C 82 176.630 176.630 174.695 1.935 18720 4156 1 10 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.288 1.132 18720 4157 1 10 . 1 1 83 83 SER N N 83 113.780 113.780 115.074 -1.294 18720 4158 1 10 . 1 1 83 83 SER C C 83 173.410 173.410 174.760 -1.350 18720 4159 1 10 . 1 1 83 83 SER CA C 83 57.840 57.840 57.979 -0.139 18720 4160 1 10 . 1 1 83 83 SER CB C 83 63.480 63.480 63.853 -0.373 18720 4161 1 10 . 1 1 84 84 LEU N N 84 123.770 123.770 124.190 -0.420 18720 4162 1 10 . 1 1 84 84 LEU C C 84 175.350 175.350 176.325 -0.975 18720 4163 1 10 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.104 1.026 18720 4164 1 10 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.339 0.351 18720 4165 1 10 . 1 1 85 85 GLU N N 85 124.380 124.380 123.959 0.421 18720 4166 1 10 . 1 1 85 85 GLU C C 85 174.280 174.280 174.903 -0.623 18720 4167 1 10 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.322 -0.452 18720 4168 1 10 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.051 1.369 18720 4169 1 10 . 1 1 86 86 LEU N N 86 121.400 121.400 124.417 -3.017 18720 4170 1 10 . 1 1 86 86 LEU C C 86 177.240 177.240 176.878 0.362 18720 4171 1 10 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.752 0.739 18720 4172 1 10 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.438 1.682 18720 4173 1 10 . 1 1 87 87 GLN N N 87 121.690 121.690 119.227 2.463 18720 4174 1 10 . 1 1 87 87 GLN C C 87 173.460 173.460 174.058 -0.598 18720 4175 1 10 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.643 1.437 18720 4176 1 10 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.284 -1.514 18720 4177 1 10 . 1 1 88 88 SER N N 88 120.000 120.000 117.681 2.319 18720 4178 1 10 . 1 1 88 88 SER C C 88 174.930 174.930 173.626 1.304 18720 4179 1 10 . 1 1 88 88 SER CA C 88 57.540 57.540 57.953 -0.413 18720 4180 1 10 . 1 1 88 88 SER CB C 88 63.750 63.750 63.105 0.645 18720 4181 1 10 . 1 1 89 89 GLN N N 89 129.170 129.170 127.162 2.008 18720 4182 1 10 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.662 0.958 18720 4183 1 10 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.359 0.141 18720 4184 1 10 . 1 1 93 93 LEU C C 93 173.810 173.810 174.625 -0.815 18720 4185 1 10 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.933 -0.043 18720 4186 1 10 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.345 0.445 18720 4187 1 10 . 1 1 94 94 LEU N N 94 125.950 125.950 127.753 -1.803 18720 4188 1 10 . 1 1 94 94 LEU C C 94 175.680 175.680 174.368 1.312 18720 4189 1 10 . 1 1 94 94 LEU CA C 94 54.970 54.970 54.068 0.902 18720 4190 1 10 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.416 -2.136 18720 4191 1 10 . 1 1 95 95 TYR N N 95 118.250 118.250 121.183 -2.933 18720 4192 1 10 . 1 1 95 95 TYR C C 95 171.830 171.830 173.340 -1.510 18720 4193 1 10 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.496 1.623 18720 4194 1 10 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.151 0.459 18720 4195 1 10 . 1 1 96 96 ARG N N 96 114.570 114.570 119.743 -5.173 18720 4196 1 10 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.865 -1.665 18720 4197 1 10 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.606 0.374 18720 4198 1 10 . 1 1 99 99 ARG C C 99 175.470 175.470 175.138 0.332 18720 4199 1 10 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.395 0.985 18720 4200 1 10 . 1 1 100 100 SER N N 100 110.460 110.460 109.710 0.750 18720 4201 1 10 . 1 1 100 100 SER C C 100 173.620 173.620 173.701 -0.081 18720 4202 1 10 . 1 1 100 100 SER CA C 100 59.570 59.570 59.479 0.091 18720 4203 1 10 . 1 1 100 100 SER CB C 100 62.640 62.640 62.255 0.385 18720 4204 1 10 . 1 1 101 101 ARG N N 101 119.500 119.500 119.202 0.298 18720 4205 1 10 . 1 1 101 101 ARG C C 101 174.900 174.900 174.555 0.345 18720 4206 1 10 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.201 0.309 18720 4207 1 10 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.645 -2.175 18720 4208 1 10 . 1 1 102 102 ILE N N 102 124.730 124.730 121.985 2.745 18720 4209 1 10 . 1 1 102 102 ILE C C 102 175.360 175.360 174.873 0.487 18720 4210 1 10 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.694 0.976 18720 4211 1 10 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.104 -0.374 18720 4212 1 10 . 1 1 103 103 ARG N N 103 130.770 130.770 125.787 4.983 18720 4213 1 10 . 1 1 103 103 ARG C C 103 173.480 173.480 175.079 -1.599 18720 4214 1 10 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.538 0.292 18720 4215 1 10 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.776 1.514 18720 4216 1 10 . 1 1 104 104 GLY N N 104 128.260 128.260 108.867 19.393 18720 4217 1 10 . 1 1 104 104 GLY C C 104 170.890 170.890 172.174 -1.284 18720 4218 1 10 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.527 1.913 18720 4219 1 10 . 1 1 105 105 PHE N N 105 118.120 118.120 118.144 -0.024 18720 4220 1 10 . 1 1 105 105 PHE C C 105 173.920 173.920 173.501 0.419 18720 4221 1 10 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.650 -1.990 18720 4222 1 10 . 1 1 105 105 PHE CB C 105 43.220 43.220 44.035 -0.815 18720 4223 1 10 . 1 1 106 106 TRP N N 106 124.290 124.290 124.258 0.032 18720 4224 1 10 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.229 0.181 18720 4225 1 10 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.245 -0.365 18720 4226 1 10 . 1 1 110 110 SER C C 110 175.240 175.240 175.828 -0.588 18720 4227 1 10 . 1 1 110 110 SER CA C 110 62.920 62.920 61.769 1.151 18720 4228 1 10 . 1 1 110 110 SER CB C 110 64.980 64.980 63.335 1.645 18720 4229 1 10 . 1 1 111 111 GLU N N 111 122.310 122.310 119.542 2.768 18720 4230 1 10 . 1 1 111 111 GLU C C 111 179.150 179.150 178.338 0.812 18720 4231 1 10 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.271 0.269 18720 4232 1 10 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.176 -0.606 18720 4233 1 10 . 1 1 112 112 GLU N N 112 118.920 118.920 120.362 -1.442 18720 4234 1 10 . 1 1 112 112 GLU C C 112 176.360 176.360 178.409 -2.049 18720 4235 1 10 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.041 -0.961 18720 4236 1 10 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.484 0.756 18720 4237 1 10 . 1 1 113 113 CYS N N 113 117.090 117.090 117.346 -0.256 18720 4238 1 10 . 1 1 113 113 CYS C C 113 176.110 176.110 176.038 0.072 18720 4239 1 10 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.164 -0.664 18720 4240 1 10 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.659 0.141 18720 4241 1 10 . 1 1 114 114 ASP N N 114 118.820 118.820 120.942 -2.122 18720 4242 1 10 . 1 1 114 114 ASP C C 114 178.460 178.460 178.406 0.054 18720 4243 1 10 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.197 0.144 18720 4244 1 10 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.568 0.502 18720 4245 1 10 . 1 1 115 115 ARG N N 115 120.870 120.870 119.129 1.741 18720 4246 1 10 . 1 1 115 115 ARG C C 115 179.440 179.440 178.873 0.567 18720 4247 1 10 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.422 0.228 18720 4248 1 10 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.101 0.599 18720 4249 1 10 . 1 1 116 116 ILE N N 116 119.500 119.500 119.205 0.295 18720 4250 1 10 . 1 1 116 116 ILE C C 116 177.680 177.680 178.012 -0.332 18720 4251 1 10 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.418 -1.478 18720 4252 1 10 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.684 -1.964 18720 4253 1 10 . 1 1 117 117 SER N N 117 115.890 115.890 115.625 0.265 18720 4254 1 10 . 1 1 117 117 SER C C 117 176.720 176.720 176.947 -0.227 18720 4255 1 10 . 1 1 117 117 SER CA C 117 62.630 62.630 61.820 0.810 18720 4256 1 10 . 1 1 117 117 SER CB C 117 62.660 62.660 62.591 0.069 18720 4257 1 10 . 1 1 118 118 GLY N N 118 130.780 130.780 110.286 20.494 18720 4258 1 10 . 1 1 118 118 GLY C C 118 176.570 176.570 175.821 0.749 18720 4259 1 10 . 1 1 118 118 GLY CA C 118 47.090 47.090 46.966 0.124 18720 4260 1 10 . 1 1 119 119 LEU N N 119 124.450 124.450 122.520 1.930 18720 4261 1 10 . 1 1 119 119 LEU C C 119 179.470 179.470 178.965 0.505 18720 4262 1 10 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.802 0.008 18720 4263 1 10 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.818 0.492 18720 4264 1 10 . 1 1 120 120 VAL N N 120 119.140 119.140 118.968 0.172 18720 4265 1 10 . 1 1 120 120 VAL C C 120 177.380 177.380 177.832 -0.452 18720 4266 1 10 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.616 0.814 18720 4267 1 10 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.220 -0.350 18720 4268 1 10 . 1 1 121 121 ASN N N 121 116.650 116.650 118.678 -2.028 18720 4269 1 10 . 1 1 121 121 ASN C C 121 178.330 178.330 177.620 0.710 18720 4270 1 10 . 1 1 121 121 ASN CA C 121 56.670 56.670 57.066 -0.396 18720 4271 1 10 . 1 1 121 121 ASN CB C 121 38.560 38.560 38.046 0.514 18720 4272 1 10 . 1 1 122 122 GLY N N 122 129.450 129.450 108.630 20.820 18720 4273 1 10 . 1 1 122 122 GLY C C 122 176.190 176.190 175.842 0.348 18720 4274 1 10 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.883 -0.103 18720 4275 1 10 . 1 1 123 123 LEU N N 123 121.510 121.510 122.248 -0.738 18720 4276 1 10 . 1 1 123 123 LEU C C 123 179.060 179.060 179.162 -0.102 18720 4277 1 10 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.231 -0.841 18720 4278 1 10 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.731 -0.141 18720 4279 1 10 . 1 1 124 124 LEU N N 124 119.080 119.080 116.971 2.109 18720 4280 1 10 . 1 1 124 124 LEU C C 124 177.880 177.880 178.581 -0.701 18720 4281 1 10 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.310 -1.030 18720 4282 1 10 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.945 0.355 18720 4283 1 10 . 1 1 125 125 LYS N N 125 118.600 118.600 116.224 2.376 18720 4284 1 10 . 1 1 125 125 LYS C C 125 176.540 176.540 177.429 -0.889 18720 4285 1 10 . 1 1 125 125 LYS CA C 125 56.470 56.470 57.412 -0.942 18720 4286 1 10 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.699 0.031 18720 4287 1 10 . 1 1 126 126 SER N N 126 116.570 116.570 117.112 -0.542 18720 4288 1 10 . 1 1 126 126 SER C C 126 173.590 173.590 173.678 -0.088 18720 4289 1 10 . 1 1 126 126 SER CA C 126 58.550 58.550 59.486 -0.936 18720 4290 1 10 . 1 1 126 126 SER CB C 126 63.880 63.880 64.006 -0.126 18720 4291 1 11 . 1 1 2 2 ALA N N 2 123.960 123.960 124.162 -0.202 18720 4292 1 11 . 1 1 2 2 ALA C C 2 177.620 177.620 176.564 1.056 18720 4293 1 11 . 1 1 2 2 ALA CA C 2 52.910 52.910 52.381 0.529 18720 4294 1 11 . 1 1 2 2 ALA CB C 2 19.050 19.050 19.423 -0.373 18720 4295 1 11 . 1 1 3 3 ASP N N 3 119.570 119.570 122.025 -2.455 18720 4296 1 11 . 1 1 3 3 ASP C C 3 177.150 177.150 177.264 -0.114 18720 4297 1 11 . 1 1 3 3 ASP CA C 3 54.800 54.800 52.648 2.152 18720 4298 1 11 . 1 1 3 3 ASP CB C 3 41.610 41.610 43.052 -1.442 18720 4299 1 11 . 1 1 4 4 GLU N N 4 123.110 123.110 121.134 1.976 18720 4300 1 11 . 1 1 4 4 GLU C C 4 177.710 177.710 178.686 -0.976 18720 4301 1 11 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.666 -1.276 18720 4302 1 11 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.392 0.408 18720 4303 1 11 . 1 1 5 5 SER N N 5 116.020 116.020 115.240 0.780 18720 4304 1 11 . 1 1 5 5 SER CA C 5 60.870 60.870 61.632 -0.762 18720 4305 1 11 . 1 1 5 5 SER CB C 5 62.940 62.940 62.356 0.584 18720 4306 1 11 . 1 1 6 6 ILE N N 6 123.790 123.790 120.918 2.872 18720 4307 1 11 . 1 1 6 6 ILE C C 6 178.180 178.180 177.888 0.292 18720 4308 1 11 . 1 1 6 6 ILE CA C 6 63.670 63.670 64.278 -0.608 18720 4309 1 11 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.559 1.101 18720 4310 1 11 . 1 1 7 7 THR N N 7 117.450 117.450 116.640 0.810 18720 4311 1 11 . 1 1 7 7 THR C C 7 176.030 176.030 177.037 -1.007 18720 4312 1 11 . 1 1 7 7 THR CA C 7 66.370 66.370 66.824 -0.454 18720 4313 1 11 . 1 1 7 7 THR CB C 7 68.640 68.640 68.343 0.297 18720 4314 1 11 . 1 1 8 8 ARG N N 8 120.770 120.770 120.976 -0.206 18720 4315 1 11 . 1 1 8 8 ARG C C 8 179.040 179.040 178.806 0.234 18720 4316 1 11 . 1 1 8 8 ARG CA C 8 59.390 59.390 58.678 0.712 18720 4317 1 11 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.457 0.533 18720 4318 1 11 . 1 1 9 9 MET N N 9 119.840 119.840 118.934 0.906 18720 4319 1 11 . 1 1 9 9 MET C C 9 178.760 178.760 178.365 0.395 18720 4320 1 11 . 1 1 9 9 MET CA C 9 58.240 58.240 59.424 -1.184 18720 4321 1 11 . 1 1 9 9 MET CB C 9 31.970 31.970 32.120 -0.150 18720 4322 1 11 . 1 1 10 10 ASN N N 10 120.190 120.190 118.600 1.590 18720 4323 1 11 . 1 1 10 10 ASN C C 10 176.660 176.660 177.784 -1.124 18720 4324 1 11 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.009 -0.369 18720 4325 1 11 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.213 0.097 18720 4326 1 11 . 1 1 11 11 LEU N N 11 121.490 121.490 121.181 0.309 18720 4327 1 11 . 1 1 11 11 LEU C C 11 177.690 177.690 177.939 -0.249 18720 4328 1 11 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.803 -0.413 18720 4329 1 11 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.511 -0.531 18720 4330 1 11 . 1 1 12 12 ALA N N 12 120.380 120.380 121.604 -1.224 18720 4331 1 11 . 1 1 12 12 ALA C C 12 179.910 179.910 179.444 0.466 18720 4332 1 11 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.128 -0.238 18720 4333 1 11 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.903 -0.343 18720 4334 1 11 . 1 1 13 13 ALA N N 13 119.960 119.960 121.035 -1.075 18720 4335 1 11 . 1 1 13 13 ALA C C 13 179.740 179.740 179.992 -0.252 18720 4336 1 11 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.639 0.191 18720 4337 1 11 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.248 -0.728 18720 4338 1 11 . 1 1 14 14 ILE N N 14 118.040 118.040 119.798 -1.758 18720 4339 1 11 . 1 1 14 14 ILE C C 14 178.220 178.220 177.773 0.447 18720 4340 1 11 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.139 -0.779 18720 4341 1 11 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.276 -0.137 18720 4342 1 11 . 1 1 15 15 LYS N N 15 118.740 118.740 117.867 0.873 18720 4343 1 11 . 1 1 15 15 LYS C C 15 177.440 177.440 178.822 -1.382 18720 4344 1 11 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.776 -0.956 18720 4345 1 11 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.902 0.988 18720 4346 1 11 . 1 1 16 16 LYS N N 16 115.750 115.750 118.197 -2.447 18720 4347 1 11 . 1 1 16 16 LYS C C 16 177.060 177.060 177.795 -0.735 18720 4348 1 11 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.684 -0.124 18720 4349 1 11 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.422 0.168 18720 4350 1 11 . 1 1 17 17 ILE N N 17 115.830 115.830 116.653 -0.823 18720 4351 1 11 . 1 1 17 17 ILE C C 17 175.500 175.500 176.608 -1.108 18720 4352 1 11 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.597 -1.157 18720 4353 1 11 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.255 -0.295 18720 4354 1 11 . 1 1 18 18 ASP N N 18 119.320 119.320 121.868 -2.548 18720 4355 1 11 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.441 -0.701 18720 4356 1 11 . 1 1 18 18 ASP CB C 18 40.710 40.710 41.988 -1.278 18720 4357 1 11 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.068 -0.468 18720 4358 1 11 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.762 0.248 18720 4359 1 11 . 1 1 20 20 TYR N N 20 115.540 115.540 113.858 1.682 18720 4360 1 11 . 1 1 20 20 TYR C C 20 175.350 175.350 174.573 0.777 18720 4361 1 11 . 1 1 20 20 TYR CA C 20 57.810 57.810 54.890 2.920 18720 4362 1 11 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.788 0.352 18720 4363 1 11 . 1 1 21 21 ALA N N 21 122.720 122.720 123.718 -0.998 18720 4364 1 11 . 1 1 21 21 ALA C C 21 175.410 175.410 176.253 -0.843 18720 4365 1 11 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.693 2.637 18720 4366 1 11 . 1 1 21 21 ALA CB C 21 20.690 20.690 18.909 1.781 18720 4367 1 11 . 1 1 22 22 LYS N N 22 121.370 121.370 124.944 -3.574 18720 4368 1 11 . 1 1 22 22 LYS C C 22 175.400 175.400 176.444 -1.044 18720 4369 1 11 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.917 -0.097 18720 4370 1 11 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.526 1.334 18720 4371 1 11 . 1 1 23 23 GLU N N 23 113.820 113.820 115.290 -1.470 18720 4372 1 11 . 1 1 23 23 GLU C C 23 174.470 174.470 174.416 0.054 18720 4373 1 11 . 1 1 23 23 GLU CA C 23 55.330 55.330 54.771 0.559 18720 4374 1 11 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.485 0.555 18720 4375 1 11 . 1 1 24 24 ILE N N 24 125.650 125.650 121.342 4.308 18720 4376 1 11 . 1 1 24 24 ILE C C 24 175.360 175.360 176.495 -1.135 18720 4377 1 11 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.581 1.189 18720 4378 1 11 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.447 -0.837 18720 4379 1 11 . 1 1 25 25 VAL N N 25 127.290 127.290 126.824 0.466 18720 4380 1 11 . 1 1 25 25 VAL C C 25 175.240 175.240 175.712 -0.472 18720 4381 1 11 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.201 -0.582 18720 4382 1 11 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.847 0.493 18720 4383 1 11 . 1 1 26 26 ASP N N 26 117.410 117.410 117.067 0.343 18720 4384 1 11 . 1 1 26 26 ASP C C 26 174.000 174.000 174.041 -0.041 18720 4385 1 11 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.425 -0.395 18720 4386 1 11 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.604 0.106 18720 4387 1 11 . 1 1 27 27 SER N N 27 115.600 115.600 116.538 -0.938 18720 4388 1 11 . 1 1 27 27 SER C C 27 172.420 172.420 172.827 -0.407 18720 4389 1 11 . 1 1 27 27 SER CA C 27 57.200 57.200 56.778 0.422 18720 4390 1 11 . 1 1 27 27 SER CB C 27 67.230 67.230 65.822 1.408 18720 4391 1 11 . 1 1 28 28 SER N N 28 113.820 113.820 119.992 -6.172 18720 4392 1 11 . 1 1 28 28 SER C C 28 176.140 176.140 175.405 0.735 18720 4393 1 11 . 1 1 28 28 SER CA C 28 57.840 57.840 55.567 2.273 18720 4394 1 11 . 1 1 28 28 SER CB C 28 65.830 65.830 64.885 0.945 18720 4395 1 11 . 1 1 29 29 SER N N 29 121.670 121.670 124.747 -3.077 18720 4396 1 11 . 1 1 29 29 SER CA C 29 61.900 61.900 61.437 0.463 18720 4397 1 11 . 1 1 29 29 SER CB C 29 63.720 63.720 63.626 0.095 18720 4398 1 11 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.093 0.538 18720 4399 1 11 . 1 1 31 31 VAL N N 31 127.450 127.450 125.888 1.562 18720 4400 1 11 . 1 1 31 31 VAL C C 31 173.480 173.480 173.225 0.255 18720 4401 1 11 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.630 -0.300 18720 4402 1 11 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.666 -0.126 18720 4403 1 11 . 1 1 32 32 ALA N N 32 125.580 125.580 126.364 -0.784 18720 4404 1 11 . 1 1 32 32 ALA C C 32 175.260 175.260 175.197 0.063 18720 4405 1 11 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.749 1.061 18720 4406 1 11 . 1 1 32 32 ALA CB C 32 23.020 23.020 22.962 0.058 18720 4407 1 11 . 1 1 33 33 PHE N N 33 123.530 123.530 122.493 1.037 18720 4408 1 11 . 1 1 33 33 PHE C C 33 174.210 174.210 173.546 0.664 18720 4409 1 11 . 1 1 33 33 PHE CA C 33 56.050 56.050 57.060 -1.010 18720 4410 1 11 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.980 -0.960 18720 4411 1 11 . 1 1 34 34 TYR N N 34 130.040 130.040 125.950 4.090 18720 4412 1 11 . 1 1 34 34 TYR C C 34 173.300 173.300 175.146 -1.846 18720 4413 1 11 . 1 1 34 34 TYR CA C 34 57.500 57.500 57.017 0.483 18720 4414 1 11 . 1 1 34 34 TYR CB C 34 44.150 44.150 43.059 1.091 18720 4415 1 11 . 1 1 35 35 THR N N 35 109.080 109.080 118.136 -9.056 18720 4416 1 11 . 1 1 35 35 THR C C 35 172.150 172.150 172.635 -0.485 18720 4417 1 11 . 1 1 35 35 THR CA C 35 59.670 59.670 61.455 -1.785 18720 4418 1 11 . 1 1 35 35 THR CB C 35 70.820 70.820 71.629 -0.809 18720 4419 1 11 . 1 1 36 36 PHE N N 36 126.090 126.090 125.191 0.899 18720 4420 1 11 . 1 1 36 36 PHE C C 36 173.570 173.570 173.651 -0.081 18720 4421 1 11 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.222 1.688 18720 4422 1 11 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.439 -2.669 18720 4423 1 11 . 1 1 37 37 ASN N N 37 128.500 128.500 125.742 2.758 18720 4424 1 11 . 1 1 37 37 ASN C C 37 175.280 175.280 174.753 0.527 18720 4425 1 11 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.805 -0.275 18720 4426 1 11 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.176 -1.446 18720 4427 1 11 . 1 1 38 38 SER N N 38 121.880 121.880 122.053 -0.173 18720 4428 1 11 . 1 1 38 38 SER CB C 38 63.050 63.050 63.435 -0.385 18720 4429 1 11 . 1 1 39 39 SER C C 39 175.410 175.410 175.605 -0.195 18720 4430 1 11 . 1 1 39 39 SER CA C 39 61.020 61.020 61.143 -0.123 18720 4431 1 11 . 1 1 39 39 SER CB C 39 62.700 62.700 63.328 -0.628 18720 4432 1 11 . 1 1 40 40 GLN N N 40 117.370 117.370 118.898 -1.528 18720 4433 1 11 . 1 1 40 40 GLN C C 40 174.910 174.910 175.853 -0.943 18720 4434 1 11 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.687 -0.887 18720 4435 1 11 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.537 0.273 18720 4436 1 11 . 1 1 41 41 ASN N N 41 118.400 118.400 116.414 1.986 18720 4437 1 11 . 1 1 41 41 ASN C C 41 173.240 173.240 173.433 -0.193 18720 4438 1 11 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.078 0.122 18720 4439 1 11 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.722 -0.082 18720 4440 1 11 . 1 1 42 42 GLU N N 42 112.910 112.910 117.369 -4.459 18720 4441 1 11 . 1 1 42 42 GLU C C 42 174.620 174.620 174.466 0.154 18720 4442 1 11 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.643 -0.533 18720 4443 1 11 . 1 1 42 42 GLU CB C 42 34.450 34.450 32.761 1.689 18720 4444 1 11 . 1 1 43 43 TRP N N 43 123.140 123.140 122.365 0.775 18720 4445 1 11 . 1 1 43 43 TRP C C 43 175.850 175.850 176.721 -0.871 18720 4446 1 11 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.425 0.215 18720 4447 1 11 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.754 0.856 18720 4448 1 11 . 1 1 44 44 GLU N N 44 120.660 120.660 122.804 -2.144 18720 4449 1 11 . 1 1 44 44 GLU C C 44 175.030 175.030 175.409 -0.379 18720 4450 1 11 . 1 1 44 44 GLU CA C 44 55.120 55.120 55.102 0.018 18720 4451 1 11 . 1 1 44 44 GLU CB C 44 32.110 32.110 33.128 -1.018 18720 4452 1 11 . 1 1 45 45 LYS N N 45 123.100 123.100 126.855 -3.755 18720 4453 1 11 . 1 1 45 45 LYS C C 45 176.810 176.810 176.614 0.196 18720 4454 1 11 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.644 0.316 18720 4455 1 11 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.987 0.353 18720 4456 1 11 . 1 1 46 46 THR N N 46 114.570 114.570 118.376 -3.806 18720 4457 1 11 . 1 1 46 46 THR C C 46 174.130 174.130 174.389 -0.259 18720 4458 1 11 . 1 1 46 46 THR CA C 46 61.720 61.720 60.775 0.945 18720 4459 1 11 . 1 1 46 46 THR CB C 46 71.720 71.720 69.652 2.068 18720 4460 1 11 . 1 1 47 47 ASP N N 47 118.590 118.590 117.890 0.700 18720 4461 1 11 . 1 1 47 47 ASP C C 47 174.390 174.390 175.412 -1.022 18720 4462 1 11 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.004 -0.094 18720 4463 1 11 . 1 1 47 47 ASP CB C 47 39.870 39.870 39.863 0.007 18720 4464 1 11 . 1 1 48 48 VAL N N 48 118.730 118.730 121.595 -2.865 18720 4465 1 11 . 1 1 48 48 VAL C C 48 174.840 174.840 173.837 1.003 18720 4466 1 11 . 1 1 48 48 VAL CA C 48 62.360 62.360 62.113 0.247 18720 4467 1 11 . 1 1 48 48 VAL CB C 48 32.390 32.390 32.148 0.242 18720 4468 1 11 . 1 1 49 49 GLU N N 49 127.180 127.180 128.464 -1.284 18720 4469 1 11 . 1 1 49 49 GLU C C 49 174.140 174.140 175.247 -1.107 18720 4470 1 11 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.099 0.131 18720 4471 1 11 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.408 0.462 18720 4472 1 11 . 1 1 50 50 GLY N N 50 110.640 110.640 112.129 -1.489 18720 4473 1 11 . 1 1 50 50 GLY C C 50 171.360 171.360 171.918 -0.558 18720 4474 1 11 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.045 0.675 18720 4475 1 11 . 1 1 51 51 ALA N N 51 124.800 124.800 121.715 3.085 18720 4476 1 11 . 1 1 51 51 ALA C C 51 174.220 174.220 175.755 -1.535 18720 4477 1 11 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.186 1.484 18720 4478 1 11 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.525 -0.255 18720 4479 1 11 . 1 1 52 52 PHE N N 52 123.680 123.680 125.629 -1.949 18720 4480 1 11 . 1 1 52 52 PHE C C 52 173.650 173.650 173.413 0.237 18720 4481 1 11 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.381 -0.461 18720 4482 1 11 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.342 2.358 18720 4483 1 11 . 1 1 53 53 PHE N N 53 123.690 123.690 126.270 -2.580 18720 4484 1 11 . 1 1 53 53 PHE C C 53 174.760 174.760 174.110 0.650 18720 4485 1 11 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.621 0.899 18720 4486 1 11 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.701 -0.281 18720 4487 1 11 . 1 1 54 54 ILE N N 54 119.970 119.970 121.364 -1.394 18720 4488 1 11 . 1 1 54 54 ILE C C 54 175.240 175.240 174.746 0.494 18720 4489 1 11 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.873 -1.383 18720 4490 1 11 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.514 -0.624 18720 4491 1 11 . 1 1 55 55 TYR N N 55 125.670 125.670 126.740 -1.070 18720 4492 1 11 . 1 1 55 55 TYR C C 55 170.980 170.980 174.910 -3.930 18720 4493 1 11 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.491 0.829 18720 4494 1 11 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.876 2.104 18720 4495 1 11 . 1 1 56 56 HIS N N 56 121.710 121.710 122.806 -1.096 18720 4496 1 11 . 1 1 56 56 HIS C C 56 175.000 175.000 173.392 1.608 18720 4497 1 11 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.661 -1.931 18720 4498 1 11 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.512 -0.212 18720 4499 1 11 . 1 1 57 57 ARG N N 57 126.870 126.870 124.749 2.121 18720 4500 1 11 . 1 1 57 57 ARG C C 57 174.770 174.770 174.038 0.732 18720 4501 1 11 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.620 0.410 18720 4502 1 11 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.339 1.751 18720 4503 1 11 . 1 1 58 58 ASN N N 58 115.660 115.660 120.399 -4.739 18720 4504 1 11 . 1 1 58 58 ASN C C 58 173.540 173.540 174.106 -0.566 18720 4505 1 11 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.301 -0.531 18720 4506 1 11 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.333 1.847 18720 4507 1 11 . 1 1 59 59 ALA N N 59 120.190 120.190 121.431 -1.241 18720 4508 1 11 . 1 1 59 59 ALA C C 59 173.000 173.000 174.932 -1.932 18720 4509 1 11 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.955 -0.615 18720 4510 1 11 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.105 0.775 18720 4511 1 11 . 1 1 60 60 GLU N N 60 117.270 117.270 119.861 -2.591 18720 4512 1 11 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.857 -0.347 18720 4513 1 11 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.302 0.368 18720 4514 1 11 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.513 -0.453 18720 4515 1 11 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.429 1.201 18720 4516 1 11 . 1 1 62 62 PHE N N 62 120.680 120.680 119.182 1.498 18720 4517 1 11 . 1 1 62 62 PHE C C 62 174.840 174.840 175.534 -0.694 18720 4518 1 11 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.634 -0.854 18720 4519 1 11 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.790 -0.570 18720 4520 1 11 . 1 1 63 63 HIS N N 63 115.820 115.820 112.905 2.915 18720 4521 1 11 . 1 1 63 63 HIS C C 63 174.540 174.540 173.887 0.653 18720 4522 1 11 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.575 0.415 18720 4523 1 11 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.564 0.766 18720 4524 1 11 . 1 1 64 64 SER N N 64 114.040 114.040 116.524 -2.484 18720 4525 1 11 . 1 1 64 64 SER C C 64 169.620 169.620 172.300 -2.680 18720 4526 1 11 . 1 1 64 64 SER CA C 64 55.980 55.980 57.521 -1.541 18720 4527 1 11 . 1 1 64 64 SER CB C 64 66.770 66.770 65.486 1.284 18720 4528 1 11 . 1 1 65 65 ILE N N 65 125.090 125.090 122.881 2.209 18720 4529 1 11 . 1 1 65 65 ILE C C 65 174.630 174.630 173.920 0.710 18720 4530 1 11 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.648 -0.428 18720 4531 1 11 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.515 0.075 18720 4532 1 11 . 1 1 66 66 PHE N N 66 127.730 127.730 126.737 0.993 18720 4533 1 11 . 1 1 66 66 PHE C C 66 174.680 174.680 172.921 1.759 18720 4534 1 11 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.645 -0.345 18720 4535 1 11 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.036 1.994 18720 4536 1 11 . 1 1 67 67 ILE N N 67 124.780 124.780 124.569 0.211 18720 4537 1 11 . 1 1 67 67 ILE C C 67 174.180 174.180 173.752 0.428 18720 4538 1 11 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.750 -0.080 18720 4539 1 11 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.560 -0.840 18720 4540 1 11 . 1 1 68 68 ASN N N 68 124.620 124.620 124.932 -0.312 18720 4541 1 11 . 1 1 68 68 ASN C C 68 174.260 174.260 174.075 0.185 18720 4542 1 11 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.984 -0.914 18720 4543 1 11 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.516 -0.515 18720 4544 1 11 . 1 1 69 69 ASN N N 69 124.120 124.120 125.455 -1.335 18720 4545 1 11 . 1 1 69 69 ASN C C 69 175.740 175.740 176.058 -0.318 18720 4546 1 11 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.909 0.291 18720 4547 1 11 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.694 0.826 18720 4548 1 11 . 1 1 70 70 ARG N N 70 123.310 123.310 126.198 -2.888 18720 4549 1 11 . 1 1 70 70 ARG CA C 70 56.960 56.960 59.153 -2.193 18720 4550 1 11 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.498 0.562 18720 4551 1 11 . 1 1 73 73 THR C C 73 175.310 175.310 173.304 2.006 18720 4552 1 11 . 1 1 73 73 THR CA C 73 62.320 62.320 64.099 -1.779 18720 4553 1 11 . 1 1 73 73 THR CB C 73 69.070 69.070 66.601 2.469 18720 4554 1 11 . 1 1 74 74 THR N N 74 119.010 119.010 115.560 3.450 18720 4555 1 11 . 1 1 74 74 THR C C 74 173.810 173.810 173.315 0.495 18720 4556 1 11 . 1 1 74 74 THR CA C 74 62.700 62.700 61.323 1.377 18720 4557 1 11 . 1 1 74 74 THR CB C 74 69.750 69.750 72.128 -2.378 18720 4558 1 11 . 1 1 75 75 SER N N 75 120.750 120.750 118.848 1.902 18720 4559 1 11 . 1 1 75 75 SER C C 75 172.250 172.250 173.551 -1.301 18720 4560 1 11 . 1 1 75 75 SER CA C 75 58.300 58.300 57.797 0.503 18720 4561 1 11 . 1 1 75 75 SER CB C 75 65.290 65.290 64.271 1.019 18720 4562 1 11 . 1 1 76 76 PHE N N 76 122.090 122.090 128.176 -6.086 18720 4563 1 11 . 1 1 76 76 PHE C C 76 172.040 172.040 172.720 -0.680 18720 4564 1 11 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.374 0.406 18720 4565 1 11 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.065 1.235 18720 4566 1 11 . 1 1 77 77 VAL N N 77 124.490 124.490 126.305 -1.815 18720 4567 1 11 . 1 1 77 77 VAL C C 77 174.390 174.390 174.277 0.113 18720 4568 1 11 . 1 1 77 77 VAL CA C 77 59.740 59.740 60.364 -0.624 18720 4569 1 11 . 1 1 77 77 VAL CB C 77 35.610 35.610 34.925 0.685 18720 4570 1 11 . 1 1 78 78 GLU N N 78 125.760 125.760 125.623 0.137 18720 4571 1 11 . 1 1 78 78 GLU CA C 78 52.120 52.120 53.082 -0.962 18720 4572 1 11 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.225 0.565 18720 4573 1 11 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.370 0.400 18720 4574 1 11 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.797 -0.237 18720 4575 1 11 . 1 1 80 80 ILE N N 80 123.190 123.190 123.101 0.089 18720 4576 1 11 . 1 1 80 80 ILE C C 80 174.250 174.250 175.822 -1.572 18720 4577 1 11 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.648 -0.228 18720 4578 1 11 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.729 -2.089 18720 4579 1 11 . 1 1 81 81 THR N N 81 115.840 115.840 118.018 -2.178 18720 4580 1 11 . 1 1 81 81 THR C C 81 174.140 174.140 175.219 -1.079 18720 4581 1 11 . 1 1 81 81 THR CA C 81 59.500 59.500 60.566 -1.066 18720 4582 1 11 . 1 1 81 81 THR CB C 81 71.030 71.030 71.770 -0.740 18720 4583 1 11 . 1 1 82 82 GLY N N 82 128.890 128.890 109.302 19.588 18720 4584 1 11 . 1 1 82 82 GLY C C 82 176.630 176.630 174.560 2.070 18720 4585 1 11 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.032 1.388 18720 4586 1 11 . 1 1 83 83 SER N N 83 113.780 113.780 115.727 -1.947 18720 4587 1 11 . 1 1 83 83 SER C C 83 173.410 173.410 174.931 -1.521 18720 4588 1 11 . 1 1 83 83 SER CA C 83 57.840 57.840 58.147 -0.307 18720 4589 1 11 . 1 1 83 83 SER CB C 83 63.480 63.480 64.276 -0.796 18720 4590 1 11 . 1 1 84 84 LEU N N 84 123.770 123.770 124.593 -0.823 18720 4591 1 11 . 1 1 84 84 LEU C C 84 175.350 175.350 176.582 -1.232 18720 4592 1 11 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.722 0.408 18720 4593 1 11 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.007 0.683 18720 4594 1 11 . 1 1 85 85 GLU N N 85 124.380 124.380 124.113 0.267 18720 4595 1 11 . 1 1 85 85 GLU C C 85 174.280 174.280 174.877 -0.597 18720 4596 1 11 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.312 -0.442 18720 4597 1 11 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.093 1.327 18720 4598 1 11 . 1 1 86 86 LEU N N 86 121.400 121.400 124.709 -3.309 18720 4599 1 11 . 1 1 86 86 LEU C C 86 177.240 177.240 176.854 0.386 18720 4600 1 11 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.765 0.725 18720 4601 1 11 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.616 1.504 18720 4602 1 11 . 1 1 87 87 GLN N N 87 121.690 121.690 119.567 2.123 18720 4603 1 11 . 1 1 87 87 GLN C C 87 173.460 173.460 173.989 -0.529 18720 4604 1 11 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.661 1.419 18720 4605 1 11 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.077 -1.307 18720 4606 1 11 . 1 1 88 88 SER N N 88 120.000 120.000 117.357 2.643 18720 4607 1 11 . 1 1 88 88 SER C C 88 174.930 174.930 173.743 1.187 18720 4608 1 11 . 1 1 88 88 SER CA C 88 57.540 57.540 57.586 -0.046 18720 4609 1 11 . 1 1 88 88 SER CB C 88 63.750 63.750 63.053 0.697 18720 4610 1 11 . 1 1 89 89 GLN N N 89 129.170 129.170 127.057 2.113 18720 4611 1 11 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.578 1.042 18720 4612 1 11 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.715 -0.215 18720 4613 1 11 . 1 1 93 93 LEU C C 93 173.810 173.810 174.459 -0.649 18720 4614 1 11 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.861 0.029 18720 4615 1 11 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.410 0.380 18720 4616 1 11 . 1 1 94 94 LEU N N 94 125.950 125.950 128.010 -2.060 18720 4617 1 11 . 1 1 94 94 LEU C C 94 175.680 175.680 174.258 1.422 18720 4618 1 11 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.855 1.115 18720 4619 1 11 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.186 -1.906 18720 4620 1 11 . 1 1 95 95 TYR N N 95 118.250 118.250 121.150 -2.900 18720 4621 1 11 . 1 1 95 95 TYR C C 95 171.830 171.830 173.361 -1.531 18720 4622 1 11 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.610 1.510 18720 4623 1 11 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.459 0.152 18720 4624 1 11 . 1 1 96 96 ARG N N 96 114.570 114.570 119.617 -5.047 18720 4625 1 11 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.879 -1.679 18720 4626 1 11 . 1 1 96 96 ARG CB C 96 32.980 32.980 33.185 -0.205 18720 4627 1 11 . 1 1 99 99 ARG C C 99 175.470 175.470 175.518 -0.048 18720 4628 1 11 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.340 1.040 18720 4629 1 11 . 1 1 100 100 SER N N 100 110.460 110.460 109.226 1.234 18720 4630 1 11 . 1 1 100 100 SER C C 100 173.620 173.620 173.689 -0.069 18720 4631 1 11 . 1 1 100 100 SER CA C 100 59.570 59.570 59.510 0.060 18720 4632 1 11 . 1 1 100 100 SER CB C 100 62.640 62.640 62.505 0.135 18720 4633 1 11 . 1 1 101 101 ARG N N 101 119.500 119.500 119.384 0.116 18720 4634 1 11 . 1 1 101 101 ARG C C 101 174.900 174.900 174.450 0.450 18720 4635 1 11 . 1 1 101 101 ARG CA C 101 55.510 55.510 54.193 1.317 18720 4636 1 11 . 1 1 101 101 ARG CB C 101 30.470 30.470 31.693 -1.223 18720 4637 1 11 . 1 1 102 102 ILE N N 102 124.730 124.730 122.852 1.878 18720 4638 1 11 . 1 1 102 102 ILE C C 102 175.360 175.360 174.759 0.601 18720 4639 1 11 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.690 0.980 18720 4640 1 11 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.355 -0.625 18720 4641 1 11 . 1 1 103 103 ARG N N 103 130.770 130.770 125.072 5.698 18720 4642 1 11 . 1 1 103 103 ARG C C 103 173.480 173.480 174.289 -0.809 18720 4643 1 11 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.122 0.708 18720 4644 1 11 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.757 1.534 18720 4645 1 11 . 1 1 104 104 GLY N N 104 128.260 128.260 107.438 20.822 18720 4646 1 11 . 1 1 104 104 GLY C C 104 170.890 170.890 171.344 -0.454 18720 4647 1 11 . 1 1 104 104 GLY CA C 104 46.440 46.440 43.813 2.627 18720 4648 1 11 . 1 1 105 105 PHE N N 105 118.120 118.120 117.736 0.384 18720 4649 1 11 . 1 1 105 105 PHE C C 105 173.920 173.920 173.621 0.299 18720 4650 1 11 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.346 -1.686 18720 4651 1 11 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.696 -0.476 18720 4652 1 11 . 1 1 106 106 TRP N N 106 124.290 124.290 124.407 -0.117 18720 4653 1 11 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.587 -0.177 18720 4654 1 11 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.202 -0.322 18720 4655 1 11 . 1 1 110 110 SER C C 110 175.240 175.240 175.926 -0.686 18720 4656 1 11 . 1 1 110 110 SER CA C 110 62.920 62.920 61.097 1.823 18720 4657 1 11 . 1 1 110 110 SER CB C 110 64.980 64.980 63.335 1.645 18720 4658 1 11 . 1 1 111 111 GLU N N 111 122.310 122.310 119.304 3.006 18720 4659 1 11 . 1 1 111 111 GLU C C 111 179.150 179.150 178.496 0.654 18720 4660 1 11 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.424 0.116 18720 4661 1 11 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.196 -0.626 18720 4662 1 11 . 1 1 112 112 GLU N N 112 118.920 118.920 120.360 -1.440 18720 4663 1 11 . 1 1 112 112 GLU C C 112 176.360 176.360 178.408 -2.048 18720 4664 1 11 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.046 -0.966 18720 4665 1 11 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.496 0.744 18720 4666 1 11 . 1 1 113 113 CYS N N 113 117.090 117.090 117.322 -0.232 18720 4667 1 11 . 1 1 113 113 CYS C C 113 176.110 176.110 176.053 0.057 18720 4668 1 11 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.190 -0.690 18720 4669 1 11 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.722 0.078 18720 4670 1 11 . 1 1 114 114 ASP N N 114 118.820 118.820 120.908 -2.088 18720 4671 1 11 . 1 1 114 114 ASP C C 114 178.460 178.460 178.408 0.052 18720 4672 1 11 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.167 0.173 18720 4673 1 11 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.576 0.494 18720 4674 1 11 . 1 1 115 115 ARG N N 115 120.870 120.870 119.107 1.763 18720 4675 1 11 . 1 1 115 115 ARG C C 115 179.440 179.440 178.885 0.555 18720 4676 1 11 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.434 0.216 18720 4677 1 11 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.105 0.595 18720 4678 1 11 . 1 1 116 116 ILE N N 116 119.500 119.500 119.158 0.342 18720 4679 1 11 . 1 1 116 116 ILE C C 116 177.680 177.680 178.069 -0.389 18720 4680 1 11 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.456 -1.516 18720 4681 1 11 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.702 -1.982 18720 4682 1 11 . 1 1 117 117 SER N N 117 115.890 115.890 115.652 0.238 18720 4683 1 11 . 1 1 117 117 SER C C 117 176.720 176.720 176.969 -0.249 18720 4684 1 11 . 1 1 117 117 SER CA C 117 62.630 62.630 61.872 0.758 18720 4685 1 11 . 1 1 117 117 SER CB C 117 62.660 62.660 62.573 0.087 18720 4686 1 11 . 1 1 118 118 GLY N N 118 130.780 130.780 110.284 20.496 18720 4687 1 11 . 1 1 118 118 GLY C C 118 176.570 176.570 175.833 0.737 18720 4688 1 11 . 1 1 118 118 GLY CA C 118 47.090 47.090 46.986 0.104 18720 4689 1 11 . 1 1 119 119 LEU N N 119 124.450 124.450 122.549 1.901 18720 4690 1 11 . 1 1 119 119 LEU C C 119 179.470 179.470 178.988 0.482 18720 4691 1 11 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.800 0.010 18720 4692 1 11 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.861 0.449 18720 4693 1 11 . 1 1 120 120 VAL N N 120 119.140 119.140 118.982 0.158 18720 4694 1 11 . 1 1 120 120 VAL C C 120 177.380 177.380 177.767 -0.387 18720 4695 1 11 . 1 1 120 120 VAL CA C 120 67.430 67.430 67.075 0.355 18720 4696 1 11 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.411 -0.541 18720 4697 1 11 . 1 1 121 121 ASN N N 121 116.650 116.650 118.673 -2.023 18720 4698 1 11 . 1 1 121 121 ASN C C 121 178.330 178.330 177.599 0.731 18720 4699 1 11 . 1 1 121 121 ASN CA C 121 56.670 56.670 57.040 -0.370 18720 4700 1 11 . 1 1 121 121 ASN CB C 121 38.560 38.560 38.077 0.484 18720 4701 1 11 . 1 1 122 122 GLY N N 122 129.450 129.450 108.659 20.791 18720 4702 1 11 . 1 1 122 122 GLY C C 122 176.190 176.190 175.871 0.319 18720 4703 1 11 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.904 -0.124 18720 4704 1 11 . 1 1 123 123 LEU N N 123 121.510 121.510 121.625 -0.115 18720 4705 1 11 . 1 1 123 123 LEU C C 123 179.060 179.060 178.143 0.917 18720 4706 1 11 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.147 -0.757 18720 4707 1 11 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.836 -0.246 18720 4708 1 11 . 1 1 124 124 LEU N N 124 119.080 119.080 115.973 3.107 18720 4709 1 11 . 1 1 124 124 LEU C C 124 177.880 177.880 178.948 -1.068 18720 4710 1 11 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.067 -0.787 18720 4711 1 11 . 1 1 124 124 LEU CB C 124 42.300 42.300 42.053 0.247 18720 4712 1 11 . 1 1 125 125 LYS N N 125 118.600 118.600 116.929 1.671 18720 4713 1 11 . 1 1 125 125 LYS C C 125 176.540 176.540 177.236 -0.696 18720 4714 1 11 . 1 1 125 125 LYS CA C 125 56.470 56.470 57.687 -1.217 18720 4715 1 11 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.603 0.127 18720 4716 1 11 . 1 1 126 126 SER N N 126 116.570 116.570 116.313 0.257 18720 4717 1 11 . 1 1 126 126 SER C C 126 173.590 173.590 173.027 0.563 18720 4718 1 11 . 1 1 126 126 SER CA C 126 58.550 58.550 58.647 -0.097 18720 4719 1 11 . 1 1 126 126 SER CB C 126 63.880 63.880 63.898 -0.018 18720 4720 1 12 . 1 1 2 2 ALA N N 2 123.960 123.960 126.021 -2.061 18720 4721 1 12 . 1 1 2 2 ALA C C 2 177.620 177.620 175.593 2.027 18720 4722 1 12 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.673 1.237 18720 4723 1 12 . 1 1 2 2 ALA CB C 2 19.050 19.050 20.396 -1.346 18720 4724 1 12 . 1 1 3 3 ASP N N 3 119.570 119.570 124.137 -4.567 18720 4725 1 12 . 1 1 3 3 ASP C C 3 177.150 177.150 176.287 0.863 18720 4726 1 12 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.727 1.073 18720 4727 1 12 . 1 1 3 3 ASP CB C 3 41.610 41.610 41.539 0.071 18720 4728 1 12 . 1 1 4 4 GLU N N 4 123.110 123.110 126.943 -3.833 18720 4729 1 12 . 1 1 4 4 GLU C C 4 177.710 177.710 178.009 -0.299 18720 4730 1 12 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.008 -0.618 18720 4731 1 12 . 1 1 4 4 GLU CB C 4 29.800 29.800 30.152 -0.352 18720 4732 1 12 . 1 1 5 5 SER N N 5 116.020 116.020 114.491 1.529 18720 4733 1 12 . 1 1 5 5 SER CA C 5 60.870 60.870 61.119 -0.249 18720 4734 1 12 . 1 1 5 5 SER CB C 5 62.940 62.940 62.709 0.231 18720 4735 1 12 . 1 1 6 6 ILE N N 6 123.790 123.790 120.093 3.697 18720 4736 1 12 . 1 1 6 6 ILE C C 6 178.180 178.180 177.998 0.182 18720 4737 1 12 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.785 -0.115 18720 4738 1 12 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.675 0.985 18720 4739 1 12 . 1 1 7 7 THR N N 7 117.450 117.450 117.283 0.167 18720 4740 1 12 . 1 1 7 7 THR C C 7 176.030 176.030 177.023 -0.993 18720 4741 1 12 . 1 1 7 7 THR CA C 7 66.370 66.370 66.926 -0.556 18720 4742 1 12 . 1 1 7 7 THR CB C 7 68.640 68.640 68.678 -0.038 18720 4743 1 12 . 1 1 8 8 ARG N N 8 120.770 120.770 121.306 -0.536 18720 4744 1 12 . 1 1 8 8 ARG C C 8 179.040 179.040 178.812 0.228 18720 4745 1 12 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.621 -0.231 18720 4746 1 12 . 1 1 8 8 ARG CB C 8 29.990 29.990 30.045 -0.055 18720 4747 1 12 . 1 1 9 9 MET N N 9 119.840 119.840 118.385 1.455 18720 4748 1 12 . 1 1 9 9 MET C C 9 178.760 178.760 178.289 0.471 18720 4749 1 12 . 1 1 9 9 MET CA C 9 58.240 58.240 59.363 -1.123 18720 4750 1 12 . 1 1 9 9 MET CB C 9 31.970 31.970 32.221 -0.251 18720 4751 1 12 . 1 1 10 10 ASN N N 10 120.190 120.190 118.915 1.275 18720 4752 1 12 . 1 1 10 10 ASN C C 10 176.660 176.660 177.680 -1.020 18720 4753 1 12 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.244 -0.604 18720 4754 1 12 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.474 -0.164 18720 4755 1 12 . 1 1 11 11 LEU N N 11 121.490 121.490 120.747 0.743 18720 4756 1 12 . 1 1 11 11 LEU C C 11 177.690 177.690 177.854 -0.164 18720 4757 1 12 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.718 -0.328 18720 4758 1 12 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.562 -0.582 18720 4759 1 12 . 1 1 12 12 ALA N N 12 120.380 120.380 121.666 -1.286 18720 4760 1 12 . 1 1 12 12 ALA C C 12 179.910 179.910 179.465 0.445 18720 4761 1 12 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.128 -0.238 18720 4762 1 12 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.921 -0.361 18720 4763 1 12 . 1 1 13 13 ALA N N 13 119.960 119.960 121.068 -1.108 18720 4764 1 12 . 1 1 13 13 ALA C C 13 179.740 179.740 180.020 -0.280 18720 4765 1 12 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.650 0.180 18720 4766 1 12 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.257 -0.737 18720 4767 1 12 . 1 1 14 14 ILE N N 14 118.040 118.040 119.871 -1.831 18720 4768 1 12 . 1 1 14 14 ILE C C 14 178.220 178.220 177.809 0.411 18720 4769 1 12 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.151 -0.791 18720 4770 1 12 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.367 -0.227 18720 4771 1 12 . 1 1 15 15 LYS N N 15 118.740 118.740 117.573 1.167 18720 4772 1 12 . 1 1 15 15 LYS C C 15 177.440 177.440 178.509 -1.069 18720 4773 1 12 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.522 -0.702 18720 4774 1 12 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.872 1.018 18720 4775 1 12 . 1 1 16 16 LYS N N 16 115.750 115.750 118.781 -3.031 18720 4776 1 12 . 1 1 16 16 LYS C C 16 177.060 177.060 177.491 -0.431 18720 4777 1 12 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.582 -0.022 18720 4778 1 12 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.368 0.222 18720 4779 1 12 . 1 1 17 17 ILE N N 17 115.830 115.830 116.408 -0.578 18720 4780 1 12 . 1 1 17 17 ILE C C 17 175.500 175.500 175.965 -0.465 18720 4781 1 12 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.540 -1.100 18720 4782 1 12 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.114 -0.154 18720 4783 1 12 . 1 1 18 18 ASP N N 18 119.320 119.320 120.399 -1.079 18720 4784 1 12 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.326 -0.586 18720 4785 1 12 . 1 1 18 18 ASP CB C 18 40.710 40.710 40.949 -0.239 18720 4786 1 12 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.286 -0.686 18720 4787 1 12 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.663 0.347 18720 4788 1 12 . 1 1 20 20 TYR N N 20 115.540 115.540 114.687 0.853 18720 4789 1 12 . 1 1 20 20 TYR C C 20 175.350 175.350 174.649 0.701 18720 4790 1 12 . 1 1 20 20 TYR CA C 20 57.810 57.810 54.851 2.959 18720 4791 1 12 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.629 0.511 18720 4792 1 12 . 1 1 21 21 ALA N N 21 122.720 122.720 122.247 0.473 18720 4793 1 12 . 1 1 21 21 ALA C C 21 175.410 175.410 177.130 -1.720 18720 4794 1 12 . 1 1 21 21 ALA CA C 21 54.330 54.330 52.337 1.994 18720 4795 1 12 . 1 1 21 21 ALA CB C 21 20.690 20.690 18.850 1.840 18720 4796 1 12 . 1 1 22 22 LYS N N 22 121.370 121.370 123.978 -2.608 18720 4797 1 12 . 1 1 22 22 LYS C C 22 175.400 175.400 176.948 -1.548 18720 4798 1 12 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.855 -0.035 18720 4799 1 12 . 1 1 22 22 LYS CB C 22 35.860 35.860 33.666 2.194 18720 4800 1 12 . 1 1 23 23 GLU N N 23 113.820 113.820 117.163 -3.343 18720 4801 1 12 . 1 1 23 23 GLU C C 23 174.470 174.470 174.350 0.120 18720 4802 1 12 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.015 0.315 18720 4803 1 12 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.818 0.222 18720 4804 1 12 . 1 1 24 24 ILE N N 24 125.650 125.650 121.954 3.696 18720 4805 1 12 . 1 1 24 24 ILE C C 24 175.360 175.360 176.442 -1.082 18720 4806 1 12 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.452 1.318 18720 4807 1 12 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.347 -0.737 18720 4808 1 12 . 1 1 25 25 VAL N N 25 127.290 127.290 127.036 0.254 18720 4809 1 12 . 1 1 25 25 VAL C C 25 175.240 175.240 175.758 -0.518 18720 4810 1 12 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.063 -0.443 18720 4811 1 12 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.599 0.741 18720 4812 1 12 . 1 1 26 26 ASP N N 26 117.410 117.410 117.053 0.357 18720 4813 1 12 . 1 1 26 26 ASP C C 26 174.000 174.000 174.142 -0.142 18720 4814 1 12 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.616 -0.586 18720 4815 1 12 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.239 0.471 18720 4816 1 12 . 1 1 27 27 SER N N 27 115.600 115.600 116.504 -0.904 18720 4817 1 12 . 1 1 27 27 SER C C 27 172.420 172.420 172.269 0.151 18720 4818 1 12 . 1 1 27 27 SER CA C 27 57.200 57.200 56.827 0.373 18720 4819 1 12 . 1 1 27 27 SER CB C 27 67.230 67.230 65.769 1.461 18720 4820 1 12 . 1 1 28 28 SER N N 28 113.820 113.820 118.585 -4.765 18720 4821 1 12 . 1 1 28 28 SER C C 28 176.140 176.140 175.894 0.246 18720 4822 1 12 . 1 1 28 28 SER CA C 28 57.840 57.840 55.865 1.975 18720 4823 1 12 . 1 1 28 28 SER CB C 28 65.830 65.830 65.030 0.800 18720 4824 1 12 . 1 1 29 29 SER N N 29 121.670 121.670 124.517 -2.847 18720 4825 1 12 . 1 1 29 29 SER CA C 29 61.900 61.900 61.789 0.111 18720 4826 1 12 . 1 1 29 29 SER CB C 29 63.720 63.720 63.618 0.102 18720 4827 1 12 . 1 1 30 30 HIS CA C 30 56.630 56.630 55.793 0.837 18720 4828 1 12 . 1 1 31 31 VAL N N 31 127.450 127.450 126.263 1.187 18720 4829 1 12 . 1 1 31 31 VAL C C 31 173.480 173.480 173.350 0.130 18720 4830 1 12 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.954 -0.624 18720 4831 1 12 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.590 -0.050 18720 4832 1 12 . 1 1 32 32 ALA N N 32 125.580 125.580 126.789 -1.209 18720 4833 1 12 . 1 1 32 32 ALA C C 32 175.260 175.260 175.095 0.165 18720 4834 1 12 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.877 0.933 18720 4835 1 12 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.018 0.002 18720 4836 1 12 . 1 1 33 33 PHE N N 33 123.530 123.530 122.374 1.156 18720 4837 1 12 . 1 1 33 33 PHE C C 33 174.210 174.210 173.720 0.490 18720 4838 1 12 . 1 1 33 33 PHE CA C 33 56.050 56.050 56.769 -0.719 18720 4839 1 12 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.808 -0.788 18720 4840 1 12 . 1 1 34 34 TYR N N 34 130.040 130.040 126.770 3.270 18720 4841 1 12 . 1 1 34 34 TYR C C 34 173.300 173.300 174.887 -1.587 18720 4842 1 12 . 1 1 34 34 TYR CA C 34 57.500 57.500 57.154 0.346 18720 4843 1 12 . 1 1 34 34 TYR CB C 34 44.150 44.150 43.137 1.013 18720 4844 1 12 . 1 1 35 35 THR N N 35 109.080 109.080 118.202 -9.122 18720 4845 1 12 . 1 1 35 35 THR C C 35 172.150 172.150 172.529 -0.379 18720 4846 1 12 . 1 1 35 35 THR CA C 35 59.670 59.670 61.388 -1.718 18720 4847 1 12 . 1 1 35 35 THR CB C 35 70.820 70.820 71.602 -0.782 18720 4848 1 12 . 1 1 36 36 PHE N N 36 126.090 126.090 125.389 0.701 18720 4849 1 12 . 1 1 36 36 PHE C C 36 173.570 173.570 173.532 0.038 18720 4850 1 12 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.145 1.765 18720 4851 1 12 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.223 -2.453 18720 4852 1 12 . 1 1 37 37 ASN N N 37 128.500 128.500 124.899 3.601 18720 4853 1 12 . 1 1 37 37 ASN C C 37 175.280 175.280 175.375 -0.095 18720 4854 1 12 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.026 0.504 18720 4855 1 12 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.075 -1.345 18720 4856 1 12 . 1 1 38 38 SER N N 38 121.880 121.880 121.807 0.073 18720 4857 1 12 . 1 1 38 38 SER CB C 38 63.050 63.050 63.026 0.024 18720 4858 1 12 . 1 1 39 39 SER C C 39 175.410 175.410 176.009 -0.599 18720 4859 1 12 . 1 1 39 39 SER CA C 39 61.020 61.020 60.928 0.092 18720 4860 1 12 . 1 1 39 39 SER CB C 39 62.700 62.700 63.422 -0.722 18720 4861 1 12 . 1 1 40 40 GLN N N 40 117.370 117.370 117.942 -0.572 18720 4862 1 12 . 1 1 40 40 GLN C C 40 174.910 174.910 176.241 -1.331 18720 4863 1 12 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.457 -0.657 18720 4864 1 12 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.615 0.195 18720 4865 1 12 . 1 1 41 41 ASN N N 41 118.400 118.400 117.570 0.830 18720 4866 1 12 . 1 1 41 41 ASN C C 41 173.240 173.240 173.385 -0.145 18720 4867 1 12 . 1 1 41 41 ASN CA C 41 54.200 54.200 53.964 0.236 18720 4868 1 12 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.837 -0.198 18720 4869 1 12 . 1 1 42 42 GLU N N 42 112.910 112.910 117.358 -4.448 18720 4870 1 12 . 1 1 42 42 GLU C C 42 174.620 174.620 174.436 0.184 18720 4871 1 12 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.705 -0.595 18720 4872 1 12 . 1 1 42 42 GLU CB C 42 34.450 34.450 32.759 1.691 18720 4873 1 12 . 1 1 43 43 TRP N N 43 123.140 123.140 122.490 0.650 18720 4874 1 12 . 1 1 43 43 TRP C C 43 175.850 175.850 176.454 -0.604 18720 4875 1 12 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.297 0.343 18720 4876 1 12 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.769 0.841 18720 4877 1 12 . 1 1 44 44 GLU N N 44 120.660 120.660 123.768 -3.108 18720 4878 1 12 . 1 1 44 44 GLU C C 44 175.030 175.030 175.519 -0.489 18720 4879 1 12 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.718 0.402 18720 4880 1 12 . 1 1 44 44 GLU CB C 44 32.110 32.110 33.176 -1.066 18720 4881 1 12 . 1 1 45 45 LYS N N 45 123.100 123.100 125.819 -2.719 18720 4882 1 12 . 1 1 45 45 LYS C C 45 176.810 176.810 176.601 0.209 18720 4883 1 12 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.042 0.918 18720 4884 1 12 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.628 0.712 18720 4885 1 12 . 1 1 46 46 THR N N 46 114.570 114.570 114.908 -0.338 18720 4886 1 12 . 1 1 46 46 THR C C 46 174.130 174.130 174.473 -0.343 18720 4887 1 12 . 1 1 46 46 THR CA C 46 61.720 61.720 60.680 1.040 18720 4888 1 12 . 1 1 46 46 THR CB C 46 71.720 71.720 69.913 1.807 18720 4889 1 12 . 1 1 47 47 ASP N N 47 118.590 118.590 119.962 -1.372 18720 4890 1 12 . 1 1 47 47 ASP C C 47 174.390 174.390 175.192 -0.802 18720 4891 1 12 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.632 -0.722 18720 4892 1 12 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.024 -0.154 18720 4893 1 12 . 1 1 48 48 VAL N N 48 118.730 118.730 120.848 -2.118 18720 4894 1 12 . 1 1 48 48 VAL C C 48 174.840 174.840 173.736 1.104 18720 4895 1 12 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.610 0.750 18720 4896 1 12 . 1 1 48 48 VAL CB C 48 32.390 32.390 32.203 0.187 18720 4897 1 12 . 1 1 49 49 GLU N N 49 127.180 127.180 128.338 -1.158 18720 4898 1 12 . 1 1 49 49 GLU C C 49 174.140 174.140 175.256 -1.116 18720 4899 1 12 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.145 0.085 18720 4900 1 12 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.501 0.369 18720 4901 1 12 . 1 1 50 50 GLY N N 50 110.640 110.640 112.103 -1.463 18720 4902 1 12 . 1 1 50 50 GLY C C 50 171.360 171.360 171.930 -0.570 18720 4903 1 12 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.052 0.668 18720 4904 1 12 . 1 1 51 51 ALA N N 51 124.800 124.800 121.727 3.073 18720 4905 1 12 . 1 1 51 51 ALA C C 51 174.220 174.220 175.751 -1.531 18720 4906 1 12 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.220 1.450 18720 4907 1 12 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.474 -0.204 18720 4908 1 12 . 1 1 52 52 PHE N N 52 123.680 123.680 125.752 -2.072 18720 4909 1 12 . 1 1 52 52 PHE C C 52 173.650 173.650 173.403 0.247 18720 4910 1 12 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.361 -0.441 18720 4911 1 12 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.379 2.321 18720 4912 1 12 . 1 1 53 53 PHE N N 53 123.690 123.690 126.486 -2.796 18720 4913 1 12 . 1 1 53 53 PHE C C 53 174.760 174.760 174.145 0.615 18720 4914 1 12 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.688 0.832 18720 4915 1 12 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.673 -0.254 18720 4916 1 12 . 1 1 54 54 ILE N N 54 119.970 119.970 121.457 -1.487 18720 4917 1 12 . 1 1 54 54 ILE C C 54 175.240 175.240 174.840 0.400 18720 4918 1 12 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.858 -1.367 18720 4919 1 12 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.542 -0.652 18720 4920 1 12 . 1 1 55 55 TYR N N 55 125.670 125.670 126.585 -0.915 18720 4921 1 12 . 1 1 55 55 TYR C C 55 170.980 170.980 174.943 -3.963 18720 4922 1 12 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.463 0.857 18720 4923 1 12 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.914 2.066 18720 4924 1 12 . 1 1 56 56 HIS N N 56 121.710 121.710 122.636 -0.926 18720 4925 1 12 . 1 1 56 56 HIS C C 56 175.000 175.000 173.353 1.647 18720 4926 1 12 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.607 -1.877 18720 4927 1 12 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.658 -0.359 18720 4928 1 12 . 1 1 57 57 ARG N N 57 126.870 126.870 124.621 2.249 18720 4929 1 12 . 1 1 57 57 ARG C C 57 174.770 174.770 173.984 0.786 18720 4930 1 12 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.951 0.079 18720 4931 1 12 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.709 1.381 18720 4932 1 12 . 1 1 58 58 ASN N N 58 115.660 115.660 120.111 -4.451 18720 4933 1 12 . 1 1 58 58 ASN C C 58 173.540 173.540 174.049 -0.509 18720 4934 1 12 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.870 -1.100 18720 4935 1 12 . 1 1 58 58 ASN CB C 58 39.180 39.180 38.098 1.082 18720 4936 1 12 . 1 1 59 59 ALA N N 59 120.190 120.190 121.173 -0.983 18720 4937 1 12 . 1 1 59 59 ALA C C 59 173.000 173.000 174.983 -1.983 18720 4938 1 12 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.723 -0.383 18720 4939 1 12 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.145 0.735 18720 4940 1 12 . 1 1 60 60 GLU N N 60 117.270 117.270 120.213 -2.943 18720 4941 1 12 . 1 1 60 60 GLU CA C 60 54.510 54.510 53.941 0.570 18720 4942 1 12 . 1 1 60 60 GLU CB C 60 29.670 29.670 30.339 -0.669 18720 4943 1 12 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.666 -0.605 18720 4944 1 12 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.371 1.259 18720 4945 1 12 . 1 1 62 62 PHE N N 62 120.680 120.680 119.546 1.134 18720 4946 1 12 . 1 1 62 62 PHE C C 62 174.840 174.840 175.570 -0.730 18720 4947 1 12 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.741 -0.961 18720 4948 1 12 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.713 -0.493 18720 4949 1 12 . 1 1 63 63 HIS N N 63 115.820 115.820 112.641 3.179 18720 4950 1 12 . 1 1 63 63 HIS C C 63 174.540 174.540 173.887 0.653 18720 4951 1 12 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.608 0.382 18720 4952 1 12 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.915 0.415 18720 4953 1 12 . 1 1 64 64 SER N N 64 114.040 114.040 116.070 -2.030 18720 4954 1 12 . 1 1 64 64 SER C C 64 169.620 169.620 172.317 -2.697 18720 4955 1 12 . 1 1 64 64 SER CA C 64 55.980 55.980 57.691 -1.710 18720 4956 1 12 . 1 1 64 64 SER CB C 64 66.770 66.770 65.467 1.303 18720 4957 1 12 . 1 1 65 65 ILE N N 65 125.090 125.090 122.993 2.097 18720 4958 1 12 . 1 1 65 65 ILE C C 65 174.630 174.630 173.840 0.790 18720 4959 1 12 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.526 -0.305 18720 4960 1 12 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.760 -0.170 18720 4961 1 12 . 1 1 66 66 PHE N N 66 127.730 127.730 126.642 1.088 18720 4962 1 12 . 1 1 66 66 PHE C C 66 174.680 174.680 172.997 1.683 18720 4963 1 12 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.639 -0.339 18720 4964 1 12 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.186 1.844 18720 4965 1 12 . 1 1 67 67 ILE N N 67 124.780 124.780 124.311 0.469 18720 4966 1 12 . 1 1 67 67 ILE C C 67 174.180 174.180 173.628 0.552 18720 4967 1 12 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.560 0.109 18720 4968 1 12 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.346 -0.626 18720 4969 1 12 . 1 1 68 68 ASN N N 68 124.620 124.620 124.640 -0.020 18720 4970 1 12 . 1 1 68 68 ASN C C 68 174.260 174.260 174.007 0.253 18720 4971 1 12 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.821 -0.751 18720 4972 1 12 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.481 -0.481 18720 4973 1 12 . 1 1 69 69 ASN N N 69 124.120 124.120 125.481 -1.361 18720 4974 1 12 . 1 1 69 69 ASN C C 69 175.740 175.740 175.703 0.037 18720 4975 1 12 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.996 0.204 18720 4976 1 12 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.938 0.582 18720 4977 1 12 . 1 1 70 70 ARG N N 70 123.310 123.310 127.992 -4.682 18720 4978 1 12 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.770 -1.810 18720 4979 1 12 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.606 0.454 18720 4980 1 12 . 1 1 73 73 THR C C 73 175.310 175.310 173.519 1.791 18720 4981 1 12 . 1 1 73 73 THR CA C 73 62.320 62.320 63.895 -1.575 18720 4982 1 12 . 1 1 73 73 THR CB C 73 69.070 69.070 66.136 2.934 18720 4983 1 12 . 1 1 74 74 THR N N 74 119.010 119.010 116.702 2.308 18720 4984 1 12 . 1 1 74 74 THR C C 74 173.810 173.810 173.425 0.385 18720 4985 1 12 . 1 1 74 74 THR CA C 74 62.700 62.700 61.509 1.191 18720 4986 1 12 . 1 1 74 74 THR CB C 74 69.750 69.750 72.343 -2.593 18720 4987 1 12 . 1 1 75 75 SER N N 75 120.750 120.750 118.828 1.922 18720 4988 1 12 . 1 1 75 75 SER C C 75 172.250 172.250 173.468 -1.218 18720 4989 1 12 . 1 1 75 75 SER CA C 75 58.300 58.300 57.706 0.594 18720 4990 1 12 . 1 1 75 75 SER CB C 75 65.290 65.290 64.706 0.584 18720 4991 1 12 . 1 1 76 76 PHE N N 76 122.090 122.090 127.013 -4.923 18720 4992 1 12 . 1 1 76 76 PHE C C 76 172.040 172.040 172.717 -0.677 18720 4993 1 12 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.647 0.133 18720 4994 1 12 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.633 0.667 18720 4995 1 12 . 1 1 77 77 VAL N N 77 124.490 124.490 126.417 -1.927 18720 4996 1 12 . 1 1 77 77 VAL C C 77 174.390 174.390 173.470 0.920 18720 4997 1 12 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.511 0.229 18720 4998 1 12 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.145 0.465 18720 4999 1 12 . 1 1 78 78 GLU N N 78 125.760 125.760 126.802 -1.042 18720 5000 1 12 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.781 -0.661 18720 5001 1 12 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.130 0.660 18720 5002 1 12 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.482 0.288 18720 5003 1 12 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.675 -0.115 18720 5004 1 12 . 1 1 80 80 ILE N N 80 123.190 123.190 123.296 -0.106 18720 5005 1 12 . 1 1 80 80 ILE C C 80 174.250 174.250 176.023 -1.773 18720 5006 1 12 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.787 -0.367 18720 5007 1 12 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.453 -1.813 18720 5008 1 12 . 1 1 81 81 THR N N 81 115.840 115.840 118.038 -2.198 18720 5009 1 12 . 1 1 81 81 THR C C 81 174.140 174.140 175.135 -0.995 18720 5010 1 12 . 1 1 81 81 THR CA C 81 59.500 59.500 60.580 -1.080 18720 5011 1 12 . 1 1 81 81 THR CB C 81 71.030 71.030 71.622 -0.592 18720 5012 1 12 . 1 1 82 82 GLY N N 82 128.890 128.890 109.477 19.413 18720 5013 1 12 . 1 1 82 82 GLY C C 82 176.630 176.630 174.592 2.038 18720 5014 1 12 . 1 1 82 82 GLY CA C 82 46.420 46.420 44.962 1.458 18720 5015 1 12 . 1 1 83 83 SER N N 83 113.780 113.780 116.118 -2.338 18720 5016 1 12 . 1 1 83 83 SER C C 83 173.410 173.410 175.144 -1.734 18720 5017 1 12 . 1 1 83 83 SER CA C 83 57.840 57.840 58.371 -0.531 18720 5018 1 12 . 1 1 83 83 SER CB C 83 63.480 63.480 64.230 -0.750 18720 5019 1 12 . 1 1 84 84 LEU N N 84 123.770 123.770 124.467 -0.697 18720 5020 1 12 . 1 1 84 84 LEU C C 84 175.350 175.350 176.078 -0.728 18720 5021 1 12 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.199 0.931 18720 5022 1 12 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.516 0.174 18720 5023 1 12 . 1 1 85 85 GLU N N 85 124.380 124.380 122.892 1.488 18720 5024 1 12 . 1 1 85 85 GLU C C 85 174.280 174.280 174.891 -0.611 18720 5025 1 12 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.370 -0.500 18720 5026 1 12 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.164 1.256 18720 5027 1 12 . 1 1 86 86 LEU N N 86 121.400 121.400 124.307 -2.907 18720 5028 1 12 . 1 1 86 86 LEU C C 86 177.240 177.240 176.865 0.375 18720 5029 1 12 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.778 0.712 18720 5030 1 12 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.482 1.638 18720 5031 1 12 . 1 1 87 87 GLN N N 87 121.690 121.690 119.210 2.480 18720 5032 1 12 . 1 1 87 87 GLN C C 87 173.460 173.460 174.047 -0.587 18720 5033 1 12 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.673 1.407 18720 5034 1 12 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.234 -1.464 18720 5035 1 12 . 1 1 88 88 SER N N 88 120.000 120.000 117.667 2.333 18720 5036 1 12 . 1 1 88 88 SER C C 88 174.930 174.930 173.689 1.241 18720 5037 1 12 . 1 1 88 88 SER CA C 88 57.540 57.540 57.867 -0.327 18720 5038 1 12 . 1 1 88 88 SER CB C 88 63.750 63.750 63.100 0.650 18720 5039 1 12 . 1 1 89 89 GLN N N 89 129.170 129.170 127.220 1.950 18720 5040 1 12 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.584 1.036 18720 5041 1 12 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.677 -0.177 18720 5042 1 12 . 1 1 93 93 LEU C C 93 173.810 173.810 174.742 -0.932 18720 5043 1 12 . 1 1 93 93 LEU CA C 93 53.890 53.890 54.078 -0.188 18720 5044 1 12 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.460 0.330 18720 5045 1 12 . 1 1 94 94 LEU N N 94 125.950 125.950 127.994 -2.044 18720 5046 1 12 . 1 1 94 94 LEU C C 94 175.680 175.680 174.380 1.300 18720 5047 1 12 . 1 1 94 94 LEU CA C 94 54.970 54.970 54.087 0.883 18720 5048 1 12 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.245 -1.965 18720 5049 1 12 . 1 1 95 95 TYR N N 95 118.250 118.250 121.340 -3.090 18720 5050 1 12 . 1 1 95 95 TYR C C 95 171.830 171.830 173.311 -1.481 18720 5051 1 12 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.503 1.617 18720 5052 1 12 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.118 0.492 18720 5053 1 12 . 1 1 96 96 ARG N N 96 114.570 114.570 119.008 -4.438 18720 5054 1 12 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.956 -1.756 18720 5055 1 12 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.819 0.161 18720 5056 1 12 . 1 1 99 99 ARG C C 99 175.470 175.470 175.679 -0.209 18720 5057 1 12 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.024 1.356 18720 5058 1 12 . 1 1 100 100 SER N N 100 110.460 110.460 111.048 -0.588 18720 5059 1 12 . 1 1 100 100 SER C C 100 173.620 173.620 173.702 -0.082 18720 5060 1 12 . 1 1 100 100 SER CA C 100 59.570 59.570 58.984 0.586 18720 5061 1 12 . 1 1 100 100 SER CB C 100 62.640 62.640 62.599 0.041 18720 5062 1 12 . 1 1 101 101 ARG N N 101 119.500 119.500 119.111 0.389 18720 5063 1 12 . 1 1 101 101 ARG C C 101 174.900 174.900 174.852 0.048 18720 5064 1 12 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.235 0.275 18720 5065 1 12 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.447 -1.977 18720 5066 1 12 . 1 1 102 102 ILE N N 102 124.730 124.730 121.614 3.116 18720 5067 1 12 . 1 1 102 102 ILE C C 102 175.360 175.360 174.859 0.501 18720 5068 1 12 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.655 1.015 18720 5069 1 12 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.038 -0.309 18720 5070 1 12 . 1 1 103 103 ARG N N 103 130.770 130.770 125.013 5.757 18720 5071 1 12 . 1 1 103 103 ARG C C 103 173.480 173.480 174.522 -1.042 18720 5072 1 12 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.256 0.574 18720 5073 1 12 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.773 1.517 18720 5074 1 12 . 1 1 104 104 GLY N N 104 128.260 128.260 107.719 20.541 18720 5075 1 12 . 1 1 104 104 GLY C C 104 170.890 170.890 171.668 -0.778 18720 5076 1 12 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.359 2.081 18720 5077 1 12 . 1 1 105 105 PHE N N 105 118.120 118.120 117.831 0.289 18720 5078 1 12 . 1 1 105 105 PHE C C 105 173.920 173.920 173.397 0.523 18720 5079 1 12 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.655 -1.995 18720 5080 1 12 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.830 -0.610 18720 5081 1 12 . 1 1 106 106 TRP N N 106 124.290 124.290 123.592 0.698 18720 5082 1 12 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.076 0.334 18720 5083 1 12 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.011 -0.131 18720 5084 1 12 . 1 1 110 110 SER C C 110 175.240 175.240 175.828 -0.588 18720 5085 1 12 . 1 1 110 110 SER CA C 110 62.920 62.920 61.672 1.248 18720 5086 1 12 . 1 1 110 110 SER CB C 110 64.980 64.980 63.293 1.687 18720 5087 1 12 . 1 1 111 111 GLU N N 111 122.310 122.310 119.528 2.782 18720 5088 1 12 . 1 1 111 111 GLU C C 111 179.150 179.150 178.453 0.697 18720 5089 1 12 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.417 0.123 18720 5090 1 12 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.236 -0.666 18720 5091 1 12 . 1 1 112 112 GLU N N 112 118.920 118.920 119.839 -0.919 18720 5092 1 12 . 1 1 112 112 GLU C C 112 176.360 176.360 178.095 -1.735 18720 5093 1 12 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.415 -1.335 18720 5094 1 12 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.415 0.825 18720 5095 1 12 . 1 1 113 113 CYS N N 113 117.090 117.090 117.103 -0.013 18720 5096 1 12 . 1 1 113 113 CYS C C 113 176.110 176.110 176.212 -0.102 18720 5097 1 12 . 1 1 113 113 CYS CA C 113 61.500 61.500 61.536 -0.036 18720 5098 1 12 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.362 0.438 18720 5099 1 12 . 1 1 114 114 ASP N N 114 118.820 118.820 120.536 -1.716 18720 5100 1 12 . 1 1 114 114 ASP C C 114 178.460 178.460 178.215 0.245 18720 5101 1 12 . 1 1 114 114 ASP CA C 114 57.340 57.340 56.984 0.356 18720 5102 1 12 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.887 0.183 18720 5103 1 12 . 1 1 115 115 ARG N N 115 120.870 120.870 118.825 2.045 18720 5104 1 12 . 1 1 115 115 ARG C C 115 179.440 179.440 178.712 0.728 18720 5105 1 12 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.118 0.532 18720 5106 1 12 . 1 1 115 115 ARG CB C 115 30.700 30.700 29.611 1.089 18720 5107 1 12 . 1 1 116 116 ILE N N 116 119.500 119.500 120.617 -1.117 18720 5108 1 12 . 1 1 116 116 ILE C C 116 177.680 177.680 177.981 -0.301 18720 5109 1 12 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.243 -1.304 18720 5110 1 12 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.595 -1.875 18720 5111 1 12 . 1 1 117 117 SER N N 117 115.890 115.890 115.920 -0.030 18720 5112 1 12 . 1 1 117 117 SER C C 117 176.720 176.720 176.722 -0.002 18720 5113 1 12 . 1 1 117 117 SER CA C 117 62.630 62.630 61.617 1.013 18720 5114 1 12 . 1 1 117 117 SER CB C 117 62.660 62.660 62.707 -0.047 18720 5115 1 12 . 1 1 118 118 GLY N N 118 130.780 130.780 110.324 20.456 18720 5116 1 12 . 1 1 118 118 GLY C C 118 176.570 176.570 175.797 0.773 18720 5117 1 12 . 1 1 118 118 GLY CA C 118 47.090 47.090 46.952 0.138 18720 5118 1 12 . 1 1 119 119 LEU N N 119 124.450 124.450 122.532 1.918 18720 5119 1 12 . 1 1 119 119 LEU C C 119 179.470 179.470 178.996 0.474 18720 5120 1 12 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.822 -0.012 18720 5121 1 12 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.789 0.521 18720 5122 1 12 . 1 1 120 120 VAL N N 120 119.140 119.140 119.254 -0.114 18720 5123 1 12 . 1 1 120 120 VAL C C 120 177.380 177.380 178.229 -0.849 18720 5124 1 12 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.383 1.047 18720 5125 1 12 . 1 1 120 120 VAL CB C 120 30.870 30.870 30.770 0.100 18720 5126 1 12 . 1 1 121 121 ASN N N 121 116.650 116.650 118.571 -1.921 18720 5127 1 12 . 1 1 121 121 ASN C C 121 178.330 178.330 178.010 0.320 18720 5128 1 12 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.276 0.394 18720 5129 1 12 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.747 0.813 18720 5130 1 12 . 1 1 122 122 GLY N N 122 129.450 129.450 108.514 20.936 18720 5131 1 12 . 1 1 122 122 GLY C C 122 176.190 176.190 175.514 0.676 18720 5132 1 12 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.779 0.001 18720 5133 1 12 . 1 1 123 123 LEU N N 123 121.510 121.510 121.276 0.234 18720 5134 1 12 . 1 1 123 123 LEU C C 123 179.060 179.060 179.453 -0.393 18720 5135 1 12 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.210 -0.820 18720 5136 1 12 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.550 0.040 18720 5137 1 12 . 1 1 124 124 LEU N N 124 119.080 119.080 117.316 1.764 18720 5138 1 12 . 1 1 124 124 LEU C C 124 177.880 177.880 178.167 -0.287 18720 5139 1 12 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.365 -1.085 18720 5140 1 12 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.740 0.560 18720 5141 1 12 . 1 1 125 125 LYS N N 125 118.600 118.600 114.300 4.300 18720 5142 1 12 . 1 1 125 125 LYS C C 125 176.540 176.540 176.460 0.080 18720 5143 1 12 . 1 1 125 125 LYS CA C 125 56.470 56.470 55.869 0.601 18720 5144 1 12 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.442 0.288 18720 5145 1 12 . 1 1 126 126 SER N N 126 116.570 116.570 116.841 -0.271 18720 5146 1 12 . 1 1 126 126 SER C C 126 173.590 173.590 172.728 0.862 18720 5147 1 12 . 1 1 126 126 SER CA C 126 58.550 58.550 58.046 0.504 18720 5148 1 12 . 1 1 126 126 SER CB C 126 63.880 63.880 64.787 -0.907 18720 5149 1 13 . 1 1 2 2 ALA N N 2 123.960 123.960 124.424 -0.464 18720 5150 1 13 . 1 1 2 2 ALA C C 2 177.620 177.620 175.231 2.389 18720 5151 1 13 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.649 1.261 18720 5152 1 13 . 1 1 2 2 ALA CB C 2 19.050 19.050 21.310 -2.260 18720 5153 1 13 . 1 1 3 3 ASP N N 3 119.570 119.570 119.632 -0.062 18720 5154 1 13 . 1 1 3 3 ASP C C 3 177.150 177.150 177.435 -0.285 18720 5155 1 13 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.578 1.222 18720 5156 1 13 . 1 1 3 3 ASP CB C 3 41.610 41.610 42.050 -0.440 18720 5157 1 13 . 1 1 4 4 GLU N N 4 123.110 123.110 122.189 0.921 18720 5158 1 13 . 1 1 4 4 GLU C C 4 177.710 177.710 178.109 -0.399 18720 5159 1 13 . 1 1 4 4 GLU CA C 4 58.390 58.390 58.969 -0.579 18720 5160 1 13 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.870 -0.071 18720 5161 1 13 . 1 1 5 5 SER N N 5 116.020 116.020 115.367 0.653 18720 5162 1 13 . 1 1 5 5 SER CA C 5 60.870 60.870 61.410 -0.540 18720 5163 1 13 . 1 1 5 5 SER CB C 5 62.940 62.940 62.862 0.078 18720 5164 1 13 . 1 1 6 6 ILE N N 6 123.790 123.790 121.200 2.590 18720 5165 1 13 . 1 1 6 6 ILE C C 6 178.180 178.180 177.846 0.334 18720 5166 1 13 . 1 1 6 6 ILE CA C 6 63.670 63.670 64.121 -0.451 18720 5167 1 13 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.503 1.157 18720 5168 1 13 . 1 1 7 7 THR N N 7 117.450 117.450 116.455 0.995 18720 5169 1 13 . 1 1 7 7 THR C C 7 176.030 176.030 177.049 -1.019 18720 5170 1 13 . 1 1 7 7 THR CA C 7 66.370 66.370 66.869 -0.499 18720 5171 1 13 . 1 1 7 7 THR CB C 7 68.640 68.640 68.271 0.369 18720 5172 1 13 . 1 1 8 8 ARG N N 8 120.770 120.770 120.607 0.163 18720 5173 1 13 . 1 1 8 8 ARG C C 8 179.040 179.040 178.829 0.211 18720 5174 1 13 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.972 -0.582 18720 5175 1 13 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.945 0.045 18720 5176 1 13 . 1 1 9 9 MET N N 9 119.840 119.840 118.548 1.292 18720 5177 1 13 . 1 1 9 9 MET C C 9 178.760 178.760 178.364 0.396 18720 5178 1 13 . 1 1 9 9 MET CA C 9 58.240 58.240 59.367 -1.127 18720 5179 1 13 . 1 1 9 9 MET CB C 9 31.970 31.970 32.214 -0.244 18720 5180 1 13 . 1 1 10 10 ASN N N 10 120.190 120.190 118.703 1.487 18720 5181 1 13 . 1 1 10 10 ASN C C 10 176.660 176.660 177.781 -1.121 18720 5182 1 13 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.033 -0.394 18720 5183 1 13 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.257 0.053 18720 5184 1 13 . 1 1 11 11 LEU N N 11 121.490 121.490 121.259 0.231 18720 5185 1 13 . 1 1 11 11 LEU C C 11 177.690 177.690 177.931 -0.241 18720 5186 1 13 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.795 -0.406 18720 5187 1 13 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.588 -0.608 18720 5188 1 13 . 1 1 12 12 ALA N N 12 120.380 120.380 121.680 -1.300 18720 5189 1 13 . 1 1 12 12 ALA C C 12 179.910 179.910 179.451 0.459 18720 5190 1 13 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.079 -0.189 18720 5191 1 13 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.953 -0.393 18720 5192 1 13 . 1 1 13 13 ALA N N 13 119.960 119.960 121.047 -1.087 18720 5193 1 13 . 1 1 13 13 ALA C C 13 179.740 179.740 180.014 -0.274 18720 5194 1 13 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.646 0.184 18720 5195 1 13 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.262 -0.742 18720 5196 1 13 . 1 1 14 14 ILE N N 14 118.040 118.040 119.815 -1.775 18720 5197 1 13 . 1 1 14 14 ILE C C 14 178.220 178.220 177.706 0.514 18720 5198 1 13 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.194 -0.834 18720 5199 1 13 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.325 -0.186 18720 5200 1 13 . 1 1 15 15 LYS N N 15 118.740 118.740 117.730 1.010 18720 5201 1 13 . 1 1 15 15 LYS C C 15 177.440 177.440 178.274 -0.834 18720 5202 1 13 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.521 -0.701 18720 5203 1 13 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.865 1.025 18720 5204 1 13 . 1 1 16 16 LYS N N 16 115.750 115.750 117.489 -1.739 18720 5205 1 13 . 1 1 16 16 LYS C C 16 177.060 177.060 177.604 -0.544 18720 5206 1 13 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.409 0.151 18720 5207 1 13 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.338 0.252 18720 5208 1 13 . 1 1 17 17 ILE N N 17 115.830 115.830 116.316 -0.486 18720 5209 1 13 . 1 1 17 17 ILE C C 17 175.500 175.500 176.119 -0.619 18720 5210 1 13 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.605 -1.165 18720 5211 1 13 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.077 -0.117 18720 5212 1 13 . 1 1 18 18 ASP N N 18 119.320 119.320 120.334 -1.014 18720 5213 1 13 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.263 -0.523 18720 5214 1 13 . 1 1 18 18 ASP CB C 18 40.710 40.710 40.854 -0.144 18720 5215 1 13 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.277 -0.677 18720 5216 1 13 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.682 0.328 18720 5217 1 13 . 1 1 20 20 TYR N N 20 115.540 115.540 114.426 1.114 18720 5218 1 13 . 1 1 20 20 TYR C C 20 175.350 175.350 174.489 0.861 18720 5219 1 13 . 1 1 20 20 TYR CA C 20 57.810 57.810 54.974 2.836 18720 5220 1 13 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.720 0.420 18720 5221 1 13 . 1 1 21 21 ALA N N 21 122.720 122.720 122.892 -0.172 18720 5222 1 13 . 1 1 21 21 ALA C C 21 175.410 175.410 176.453 -1.043 18720 5223 1 13 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.247 3.083 18720 5224 1 13 . 1 1 21 21 ALA CB C 21 20.690 20.690 19.306 1.384 18720 5225 1 13 . 1 1 22 22 LYS N N 22 121.370 121.370 122.924 -1.554 18720 5226 1 13 . 1 1 22 22 LYS C C 22 175.400 175.400 176.750 -1.350 18720 5227 1 13 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.808 0.012 18720 5228 1 13 . 1 1 22 22 LYS CB C 22 35.860 35.860 33.905 1.955 18720 5229 1 13 . 1 1 23 23 GLU N N 23 113.820 113.820 119.454 -5.634 18720 5230 1 13 . 1 1 23 23 GLU C C 23 174.470 174.470 174.424 0.046 18720 5231 1 13 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.028 0.302 18720 5232 1 13 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.861 0.179 18720 5233 1 13 . 1 1 24 24 ILE N N 24 125.650 125.650 124.963 0.687 18720 5234 1 13 . 1 1 24 24 ILE C C 24 175.360 175.360 176.252 -0.892 18720 5235 1 13 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.930 0.840 18720 5236 1 13 . 1 1 24 24 ILE CB C 24 38.610 38.610 38.871 -0.261 18720 5237 1 13 . 1 1 25 25 VAL N N 25 127.290 127.290 126.174 1.116 18720 5238 1 13 . 1 1 25 25 VAL C C 25 175.240 175.240 175.669 -0.429 18720 5239 1 13 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.112 -0.492 18720 5240 1 13 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.952 0.388 18720 5241 1 13 . 1 1 26 26 ASP N N 26 117.410 117.410 116.684 0.726 18720 5242 1 13 . 1 1 26 26 ASP C C 26 174.000 174.000 173.703 0.297 18720 5243 1 13 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.359 -0.329 18720 5244 1 13 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.002 0.708 18720 5245 1 13 . 1 1 27 27 SER N N 27 115.600 115.600 117.919 -2.319 18720 5246 1 13 . 1 1 27 27 SER C C 27 172.420 172.420 173.003 -0.583 18720 5247 1 13 . 1 1 27 27 SER CA C 27 57.200 57.200 56.718 0.483 18720 5248 1 13 . 1 1 27 27 SER CB C 27 67.230 67.230 65.766 1.464 18720 5249 1 13 . 1 1 28 28 SER N N 28 113.820 113.820 120.264 -6.444 18720 5250 1 13 . 1 1 28 28 SER C C 28 176.140 176.140 175.286 0.854 18720 5251 1 13 . 1 1 28 28 SER CA C 28 57.840 57.840 56.095 1.745 18720 5252 1 13 . 1 1 28 28 SER CB C 28 65.830 65.830 64.914 0.916 18720 5253 1 13 . 1 1 29 29 SER N N 29 121.670 121.670 124.570 -2.900 18720 5254 1 13 . 1 1 29 29 SER CA C 29 61.900 61.900 61.414 0.486 18720 5255 1 13 . 1 1 29 29 SER CB C 29 63.720 63.720 63.626 0.094 18720 5256 1 13 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.015 0.615 18720 5257 1 13 . 1 1 31 31 VAL N N 31 127.450 127.450 126.231 1.219 18720 5258 1 13 . 1 1 31 31 VAL C C 31 173.480 173.480 173.412 0.068 18720 5259 1 13 . 1 1 31 31 VAL CA C 31 60.330 60.330 61.159 -0.829 18720 5260 1 13 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.462 0.078 18720 5261 1 13 . 1 1 32 32 ALA N N 32 125.580 125.580 127.341 -1.761 18720 5262 1 13 . 1 1 32 32 ALA C C 32 175.260 175.260 175.140 0.120 18720 5263 1 13 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.726 1.084 18720 5264 1 13 . 1 1 32 32 ALA CB C 32 23.020 23.020 22.854 0.166 18720 5265 1 13 . 1 1 33 33 PHE N N 33 123.530 123.530 122.914 0.616 18720 5266 1 13 . 1 1 33 33 PHE C C 33 174.210 174.210 173.268 0.942 18720 5267 1 13 . 1 1 33 33 PHE CA C 33 56.050 56.050 55.326 0.724 18720 5268 1 13 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.405 -0.385 18720 5269 1 13 . 1 1 34 34 TYR N N 34 130.040 130.040 126.043 3.997 18720 5270 1 13 . 1 1 34 34 TYR C C 34 173.300 173.300 174.524 -1.224 18720 5271 1 13 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.613 0.887 18720 5272 1 13 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.739 1.411 18720 5273 1 13 . 1 1 35 35 THR N N 35 109.080 109.080 118.482 -9.402 18720 5274 1 13 . 1 1 35 35 THR C C 35 172.150 172.150 172.595 -0.445 18720 5275 1 13 . 1 1 35 35 THR CA C 35 59.670 59.670 61.645 -1.975 18720 5276 1 13 . 1 1 35 35 THR CB C 35 70.820 70.820 70.988 -0.168 18720 5277 1 13 . 1 1 36 36 PHE N N 36 126.090 126.090 126.009 0.081 18720 5278 1 13 . 1 1 36 36 PHE C C 36 173.570 173.570 173.413 0.157 18720 5279 1 13 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.117 1.793 18720 5280 1 13 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.347 -2.577 18720 5281 1 13 . 1 1 37 37 ASN N N 37 128.500 128.500 125.458 3.042 18720 5282 1 13 . 1 1 37 37 ASN C C 37 175.280 175.280 175.035 0.245 18720 5283 1 13 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.545 -0.015 18720 5284 1 13 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.449 -1.719 18720 5285 1 13 . 1 1 38 38 SER N N 38 121.880 121.880 122.468 -0.588 18720 5286 1 13 . 1 1 38 38 SER CB C 38 63.050 63.050 63.096 -0.046 18720 5287 1 13 . 1 1 39 39 SER C C 39 175.410 175.410 175.542 -0.132 18720 5288 1 13 . 1 1 39 39 SER CA C 39 61.020 61.020 61.071 -0.050 18720 5289 1 13 . 1 1 39 39 SER CB C 39 62.700 62.700 63.342 -0.642 18720 5290 1 13 . 1 1 40 40 GLN N N 40 117.370 117.370 117.809 -0.439 18720 5291 1 13 . 1 1 40 40 GLN C C 40 174.910 174.910 175.993 -1.083 18720 5292 1 13 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.277 -0.477 18720 5293 1 13 . 1 1 40 40 GLN CB C 40 29.810 29.810 30.136 -0.326 18720 5294 1 13 . 1 1 41 41 ASN N N 41 118.400 118.400 118.212 0.188 18720 5295 1 13 . 1 1 41 41 ASN C C 41 173.240 173.240 173.452 -0.212 18720 5296 1 13 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.097 0.103 18720 5297 1 13 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.434 0.206 18720 5298 1 13 . 1 1 42 42 GLU N N 42 112.910 112.910 118.125 -5.215 18720 5299 1 13 . 1 1 42 42 GLU C C 42 174.620 174.620 174.418 0.202 18720 5300 1 13 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.882 -0.772 18720 5301 1 13 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.457 0.993 18720 5302 1 13 . 1 1 43 43 TRP N N 43 123.140 123.140 122.682 0.458 18720 5303 1 13 . 1 1 43 43 TRP C C 43 175.850 175.850 176.724 -0.874 18720 5304 1 13 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.199 0.441 18720 5305 1 13 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.785 0.825 18720 5306 1 13 . 1 1 44 44 GLU N N 44 120.660 120.660 122.928 -2.268 18720 5307 1 13 . 1 1 44 44 GLU C C 44 175.030 175.030 175.359 -0.329 18720 5308 1 13 . 1 1 44 44 GLU CA C 44 55.120 55.120 55.007 0.113 18720 5309 1 13 . 1 1 44 44 GLU CB C 44 32.110 32.110 32.680 -0.570 18720 5310 1 13 . 1 1 45 45 LYS N N 45 123.100 123.100 127.187 -4.087 18720 5311 1 13 . 1 1 45 45 LYS C C 45 176.810 176.810 176.447 0.363 18720 5312 1 13 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.580 0.380 18720 5313 1 13 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.773 0.567 18720 5314 1 13 . 1 1 46 46 THR N N 46 114.570 114.570 119.753 -5.183 18720 5315 1 13 . 1 1 46 46 THR C C 46 174.130 174.130 174.855 -0.725 18720 5316 1 13 . 1 1 46 46 THR CA C 46 61.720 61.720 60.558 1.162 18720 5317 1 13 . 1 1 46 46 THR CB C 46 71.720 71.720 69.883 1.837 18720 5318 1 13 . 1 1 47 47 ASP N N 47 118.590 118.590 119.529 -0.939 18720 5319 1 13 . 1 1 47 47 ASP C C 47 174.390 174.390 175.704 -1.314 18720 5320 1 13 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.948 -1.038 18720 5321 1 13 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.483 -0.613 18720 5322 1 13 . 1 1 48 48 VAL N N 48 118.730 118.730 121.208 -2.478 18720 5323 1 13 . 1 1 48 48 VAL C C 48 174.840 174.840 173.834 1.006 18720 5324 1 13 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.791 0.570 18720 5325 1 13 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.832 0.557 18720 5326 1 13 . 1 1 49 49 GLU N N 49 127.180 127.180 128.474 -1.294 18720 5327 1 13 . 1 1 49 49 GLU C C 49 174.140 174.140 175.179 -1.039 18720 5328 1 13 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.114 0.116 18720 5329 1 13 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.637 0.233 18720 5330 1 13 . 1 1 50 50 GLY N N 50 110.640 110.640 112.045 -1.405 18720 5331 1 13 . 1 1 50 50 GLY C C 50 171.360 171.360 171.852 -0.492 18720 5332 1 13 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.007 0.713 18720 5333 1 13 . 1 1 51 51 ALA N N 51 124.800 124.800 121.633 3.167 18720 5334 1 13 . 1 1 51 51 ALA C C 51 174.220 174.220 175.622 -1.402 18720 5335 1 13 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.077 1.593 18720 5336 1 13 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.592 -0.322 18720 5337 1 13 . 1 1 52 52 PHE N N 52 123.680 123.680 125.778 -2.098 18720 5338 1 13 . 1 1 52 52 PHE C C 52 173.650 173.650 173.297 0.353 18720 5339 1 13 . 1 1 52 52 PHE CA C 52 55.920 55.920 55.993 -0.073 18720 5340 1 13 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.236 2.464 18720 5341 1 13 . 1 1 53 53 PHE N N 53 123.690 123.690 126.632 -2.942 18720 5342 1 13 . 1 1 53 53 PHE C C 53 174.760 174.760 174.029 0.731 18720 5343 1 13 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.289 1.231 18720 5344 1 13 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.310 0.110 18720 5345 1 13 . 1 1 54 54 ILE N N 54 119.970 119.970 121.391 -1.421 18720 5346 1 13 . 1 1 54 54 ILE C C 54 175.240 175.240 174.617 0.623 18720 5347 1 13 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.697 -1.207 18720 5348 1 13 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.361 -0.471 18720 5349 1 13 . 1 1 55 55 TYR N N 55 125.670 125.670 126.361 -0.691 18720 5350 1 13 . 1 1 55 55 TYR C C 55 170.980 170.980 175.151 -4.171 18720 5351 1 13 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.639 0.681 18720 5352 1 13 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.943 2.037 18720 5353 1 13 . 1 1 56 56 HIS N N 56 121.710 121.710 122.343 -0.633 18720 5354 1 13 . 1 1 56 56 HIS C C 56 175.000 175.000 173.668 1.332 18720 5355 1 13 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.741 -2.011 18720 5356 1 13 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.192 0.108 18720 5357 1 13 . 1 1 57 57 ARG N N 57 126.870 126.870 124.901 1.969 18720 5358 1 13 . 1 1 57 57 ARG C C 57 174.770 174.770 173.972 0.798 18720 5359 1 13 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.846 0.184 18720 5360 1 13 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.566 1.524 18720 5361 1 13 . 1 1 58 58 ASN N N 58 115.660 115.660 120.744 -5.084 18720 5362 1 13 . 1 1 58 58 ASN C C 58 173.540 173.540 174.117 -0.577 18720 5363 1 13 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.303 -0.533 18720 5364 1 13 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.361 1.819 18720 5365 1 13 . 1 1 59 59 ALA N N 59 120.190 120.190 121.340 -1.150 18720 5366 1 13 . 1 1 59 59 ALA C C 59 173.000 173.000 174.791 -1.791 18720 5367 1 13 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.872 -0.532 18720 5368 1 13 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.189 0.691 18720 5369 1 13 . 1 1 60 60 GLU N N 60 117.270 117.270 119.818 -2.548 18720 5370 1 13 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.724 -0.214 18720 5371 1 13 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.422 0.248 18720 5372 1 13 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.528 -0.468 18720 5373 1 13 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.408 1.222 18720 5374 1 13 . 1 1 62 62 PHE N N 62 120.680 120.680 119.183 1.497 18720 5375 1 13 . 1 1 62 62 PHE C C 62 174.840 174.840 175.503 -0.663 18720 5376 1 13 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.612 -0.832 18720 5377 1 13 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.712 -0.492 18720 5378 1 13 . 1 1 63 63 HIS N N 63 115.820 115.820 112.882 2.938 18720 5379 1 13 . 1 1 63 63 HIS C C 63 174.540 174.540 173.866 0.674 18720 5380 1 13 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.518 0.472 18720 5381 1 13 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.544 0.786 18720 5382 1 13 . 1 1 64 64 SER N N 64 114.040 114.040 116.714 -2.674 18720 5383 1 13 . 1 1 64 64 SER C C 64 169.620 169.620 172.182 -2.562 18720 5384 1 13 . 1 1 64 64 SER CA C 64 55.980 55.980 57.495 -1.516 18720 5385 1 13 . 1 1 64 64 SER CB C 64 66.770 66.770 65.478 1.292 18720 5386 1 13 . 1 1 65 65 ILE N N 65 125.090 125.090 122.747 2.343 18720 5387 1 13 . 1 1 65 65 ILE C C 65 174.630 174.630 173.855 0.775 18720 5388 1 13 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.297 -0.077 18720 5389 1 13 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.906 -0.316 18720 5390 1 13 . 1 1 66 66 PHE N N 66 127.730 127.730 126.501 1.229 18720 5391 1 13 . 1 1 66 66 PHE C C 66 174.680 174.680 173.048 1.632 18720 5392 1 13 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.523 -0.223 18720 5393 1 13 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.571 1.459 18720 5394 1 13 . 1 1 67 67 ILE N N 67 124.780 124.780 124.729 0.051 18720 5395 1 13 . 1 1 67 67 ILE C C 67 174.180 174.180 173.572 0.608 18720 5396 1 13 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.536 0.134 18720 5397 1 13 . 1 1 67 67 ILE CB C 67 40.720 40.720 40.790 -0.070 18720 5398 1 13 . 1 1 68 68 ASN N N 68 124.620 124.620 125.155 -0.535 18720 5399 1 13 . 1 1 68 68 ASN C C 68 174.260 174.260 173.941 0.319 18720 5400 1 13 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.795 -0.725 18720 5401 1 13 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.376 -0.376 18720 5402 1 13 . 1 1 69 69 ASN N N 69 124.120 124.120 125.865 -1.745 18720 5403 1 13 . 1 1 69 69 ASN C C 69 175.740 175.740 176.080 -0.340 18720 5404 1 13 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.973 0.227 18720 5405 1 13 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.764 0.756 18720 5406 1 13 . 1 1 70 70 ARG N N 70 123.310 123.310 127.004 -3.694 18720 5407 1 13 . 1 1 70 70 ARG CA C 70 56.960 56.960 57.780 -0.820 18720 5408 1 13 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.194 0.866 18720 5409 1 13 . 1 1 73 73 THR C C 73 175.310 175.310 173.688 1.622 18720 5410 1 13 . 1 1 73 73 THR CA C 73 62.320 62.320 63.584 -1.264 18720 5411 1 13 . 1 1 73 73 THR CB C 73 69.070 69.070 66.505 2.565 18720 5412 1 13 . 1 1 74 74 THR N N 74 119.010 119.010 116.870 2.140 18720 5413 1 13 . 1 1 74 74 THR C C 74 173.810 173.810 173.757 0.053 18720 5414 1 13 . 1 1 74 74 THR CA C 74 62.700 62.700 61.395 1.304 18720 5415 1 13 . 1 1 74 74 THR CB C 74 69.750 69.750 72.188 -2.438 18720 5416 1 13 . 1 1 75 75 SER N N 75 120.750 120.750 120.110 0.640 18720 5417 1 13 . 1 1 75 75 SER C C 75 172.250 172.250 173.678 -1.428 18720 5418 1 13 . 1 1 75 75 SER CA C 75 58.300 58.300 58.142 0.157 18720 5419 1 13 . 1 1 75 75 SER CB C 75 65.290 65.290 64.273 1.017 18720 5420 1 13 . 1 1 76 76 PHE N N 76 122.090 122.090 128.334 -6.244 18720 5421 1 13 . 1 1 76 76 PHE C C 76 172.040 172.040 173.075 -1.035 18720 5422 1 13 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.434 0.346 18720 5423 1 13 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.426 0.874 18720 5424 1 13 . 1 1 77 77 VAL N N 77 124.490 124.490 126.592 -2.102 18720 5425 1 13 . 1 1 77 77 VAL C C 77 174.390 174.390 173.759 0.631 18720 5426 1 13 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.892 -0.152 18720 5427 1 13 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.406 0.204 18720 5428 1 13 . 1 1 78 78 GLU N N 78 125.760 125.760 127.864 -2.104 18720 5429 1 13 . 1 1 78 78 GLU CA C 78 52.120 52.120 53.119 -0.999 18720 5430 1 13 . 1 1 78 78 GLU CB C 78 33.790 33.790 32.911 0.879 18720 5431 1 13 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.386 0.384 18720 5432 1 13 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.792 -0.232 18720 5433 1 13 . 1 1 80 80 ILE N N 80 123.190 123.190 122.549 0.641 18720 5434 1 13 . 1 1 80 80 ILE C C 80 174.250 174.250 176.020 -1.770 18720 5435 1 13 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.733 -0.313 18720 5436 1 13 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.408 -1.768 18720 5437 1 13 . 1 1 81 81 THR N N 81 115.840 115.840 117.099 -1.259 18720 5438 1 13 . 1 1 81 81 THR C C 81 174.140 174.140 175.323 -1.183 18720 5439 1 13 . 1 1 81 81 THR CA C 81 59.500 59.500 60.259 -0.759 18720 5440 1 13 . 1 1 81 81 THR CB C 81 71.030 71.030 71.509 -0.479 18720 5441 1 13 . 1 1 82 82 GLY N N 82 128.890 128.890 110.005 18.885 18720 5442 1 13 . 1 1 82 82 GLY C C 82 176.630 176.630 174.464 2.166 18720 5443 1 13 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.017 1.403 18720 5444 1 13 . 1 1 83 83 SER N N 83 113.780 113.780 115.932 -2.152 18720 5445 1 13 . 1 1 83 83 SER C C 83 173.410 173.410 174.969 -1.559 18720 5446 1 13 . 1 1 83 83 SER CA C 83 57.840 57.840 58.270 -0.430 18720 5447 1 13 . 1 1 83 83 SER CB C 83 63.480 63.480 64.119 -0.639 18720 5448 1 13 . 1 1 84 84 LEU N N 84 123.770 123.770 124.009 -0.239 18720 5449 1 13 . 1 1 84 84 LEU C C 84 175.350 175.350 176.355 -1.005 18720 5450 1 13 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.057 1.073 18720 5451 1 13 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.451 0.239 18720 5452 1 13 . 1 1 85 85 GLU N N 85 124.380 124.380 122.996 1.384 18720 5453 1 13 . 1 1 85 85 GLU C C 85 174.280 174.280 174.870 -0.590 18720 5454 1 13 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.362 -0.492 18720 5455 1 13 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.134 1.286 18720 5456 1 13 . 1 1 86 86 LEU N N 86 121.400 121.400 124.617 -3.217 18720 5457 1 13 . 1 1 86 86 LEU C C 86 177.240 177.240 176.869 0.371 18720 5458 1 13 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.788 0.702 18720 5459 1 13 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.593 1.527 18720 5460 1 13 . 1 1 87 87 GLN N N 87 121.690 121.690 119.700 1.990 18720 5461 1 13 . 1 1 87 87 GLN C C 87 173.460 173.460 174.130 -0.670 18720 5462 1 13 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.641 1.439 18720 5463 1 13 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.284 -1.514 18720 5464 1 13 . 1 1 88 88 SER N N 88 120.000 120.000 117.822 2.178 18720 5465 1 13 . 1 1 88 88 SER C C 88 174.930 174.930 173.673 1.257 18720 5466 1 13 . 1 1 88 88 SER CA C 88 57.540 57.540 58.092 -0.551 18720 5467 1 13 . 1 1 88 88 SER CB C 88 63.750 63.750 63.149 0.601 18720 5468 1 13 . 1 1 89 89 GLN N N 89 129.170 129.170 127.408 1.762 18720 5469 1 13 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.595 1.025 18720 5470 1 13 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.571 -0.071 18720 5471 1 13 . 1 1 93 93 LEU C C 93 173.810 173.810 174.779 -0.969 18720 5472 1 13 . 1 1 93 93 LEU CA C 93 53.890 53.890 54.153 -0.263 18720 5473 1 13 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.575 0.214 18720 5474 1 13 . 1 1 94 94 LEU N N 94 125.950 125.950 128.168 -2.218 18720 5475 1 13 . 1 1 94 94 LEU C C 94 175.680 175.680 174.358 1.322 18720 5476 1 13 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.997 0.973 18720 5477 1 13 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.244 -1.964 18720 5478 1 13 . 1 1 95 95 TYR N N 95 118.250 118.250 121.433 -3.183 18720 5479 1 13 . 1 1 95 95 TYR C C 95 171.830 171.830 173.363 -1.533 18720 5480 1 13 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.777 1.343 18720 5481 1 13 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.596 0.014 18720 5482 1 13 . 1 1 96 96 ARG N N 96 114.570 114.570 120.118 -5.548 18720 5483 1 13 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.794 -1.594 18720 5484 1 13 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.926 0.054 18720 5485 1 13 . 1 1 99 99 ARG C C 99 175.470 175.470 175.262 0.208 18720 5486 1 13 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.554 0.826 18720 5487 1 13 . 1 1 100 100 SER N N 100 110.460 110.460 109.709 0.751 18720 5488 1 13 . 1 1 100 100 SER C C 100 173.620 173.620 173.717 -0.097 18720 5489 1 13 . 1 1 100 100 SER CA C 100 59.570 59.570 59.530 0.040 18720 5490 1 13 . 1 1 100 100 SER CB C 100 62.640 62.640 62.210 0.430 18720 5491 1 13 . 1 1 101 101 ARG N N 101 119.500 119.500 119.661 -0.161 18720 5492 1 13 . 1 1 101 101 ARG C C 101 174.900 174.900 174.422 0.478 18720 5493 1 13 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.446 0.064 18720 5494 1 13 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.461 -1.991 18720 5495 1 13 . 1 1 102 102 ILE N N 102 124.730 124.730 122.453 2.277 18720 5496 1 13 . 1 1 102 102 ILE C C 102 175.360 175.360 174.745 0.615 18720 5497 1 13 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.610 1.060 18720 5498 1 13 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.157 -0.427 18720 5499 1 13 . 1 1 103 103 ARG N N 103 130.770 130.770 125.315 5.455 18720 5500 1 13 . 1 1 103 103 ARG C C 103 173.480 173.480 174.637 -1.157 18720 5501 1 13 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.310 0.520 18720 5502 1 13 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.906 1.384 18720 5503 1 13 . 1 1 104 104 GLY N N 104 128.260 128.260 108.099 20.161 18720 5504 1 13 . 1 1 104 104 GLY C C 104 170.890 170.890 171.961 -1.071 18720 5505 1 13 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.516 1.924 18720 5506 1 13 . 1 1 105 105 PHE N N 105 118.120 118.120 118.353 -0.233 18720 5507 1 13 . 1 1 105 105 PHE C C 105 173.920 173.920 173.512 0.408 18720 5508 1 13 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.870 -2.210 18720 5509 1 13 . 1 1 105 105 PHE CB C 105 43.220 43.220 44.066 -0.846 18720 5510 1 13 . 1 1 106 106 TRP N N 106 124.290 124.290 123.693 0.597 18720 5511 1 13 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.121 0.289 18720 5512 1 13 . 1 1 106 106 TRP CB C 106 31.880 31.880 31.854 0.026 18720 5513 1 13 . 1 1 110 110 SER C C 110 175.240 175.240 175.758 -0.518 18720 5514 1 13 . 1 1 110 110 SER CA C 110 62.920 62.920 61.712 1.208 18720 5515 1 13 . 1 1 110 110 SER CB C 110 64.980 64.980 63.313 1.667 18720 5516 1 13 . 1 1 111 111 GLU N N 111 122.310 122.310 119.520 2.790 18720 5517 1 13 . 1 1 111 111 GLU C C 111 179.150 179.150 178.406 0.744 18720 5518 1 13 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.334 0.206 18720 5519 1 13 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.271 -0.702 18720 5520 1 13 . 1 1 112 112 GLU N N 112 118.920 118.920 120.075 -1.155 18720 5521 1 13 . 1 1 112 112 GLU C C 112 176.360 176.360 178.398 -2.038 18720 5522 1 13 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.067 -0.987 18720 5523 1 13 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.473 0.767 18720 5524 1 13 . 1 1 113 113 CYS N N 113 117.090 117.090 117.527 -0.437 18720 5525 1 13 . 1 1 113 113 CYS C C 113 176.110 176.110 176.257 -0.147 18720 5526 1 13 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.326 -0.826 18720 5527 1 13 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.021 0.779 18720 5528 1 13 . 1 1 114 114 ASP N N 114 118.820 118.820 121.198 -2.378 18720 5529 1 13 . 1 1 114 114 ASP C C 114 178.460 178.460 178.168 0.292 18720 5530 1 13 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.041 0.299 18720 5531 1 13 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.699 0.371 18720 5532 1 13 . 1 1 115 115 ARG N N 115 120.870 120.870 119.575 1.295 18720 5533 1 13 . 1 1 115 115 ARG C C 115 179.440 179.440 178.575 0.865 18720 5534 1 13 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.359 0.291 18720 5535 1 13 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.013 0.687 18720 5536 1 13 . 1 1 116 116 ILE N N 116 119.500 119.500 118.168 1.332 18720 5537 1 13 . 1 1 116 116 ILE C C 116 177.680 177.680 178.029 -0.349 18720 5538 1 13 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.761 -1.821 18720 5539 1 13 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.726 -2.006 18720 5540 1 13 . 1 1 117 117 SER N N 117 115.890 115.890 115.593 0.297 18720 5541 1 13 . 1 1 117 117 SER C C 117 176.720 176.720 176.962 -0.242 18720 5542 1 13 . 1 1 117 117 SER CA C 117 62.630 62.630 61.831 0.799 18720 5543 1 13 . 1 1 117 117 SER CB C 117 62.660 62.660 62.503 0.157 18720 5544 1 13 . 1 1 118 118 GLY N N 118 130.780 130.780 110.301 20.479 18720 5545 1 13 . 1 1 118 118 GLY C C 118 176.570 176.570 175.811 0.759 18720 5546 1 13 . 1 1 118 118 GLY CA C 118 47.090 47.090 46.978 0.112 18720 5547 1 13 . 1 1 119 119 LEU N N 119 124.450 124.450 122.665 1.785 18720 5548 1 13 . 1 1 119 119 LEU C C 119 179.470 179.470 178.947 0.523 18720 5549 1 13 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.830 -0.020 18720 5550 1 13 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.851 0.459 18720 5551 1 13 . 1 1 120 120 VAL N N 120 119.140 119.140 118.976 0.164 18720 5552 1 13 . 1 1 120 120 VAL C C 120 177.380 177.380 177.809 -0.429 18720 5553 1 13 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.886 0.544 18720 5554 1 13 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.344 -0.474 18720 5555 1 13 . 1 1 121 121 ASN N N 121 116.650 116.650 118.430 -1.780 18720 5556 1 13 . 1 1 121 121 ASN C C 121 178.330 178.330 177.995 0.335 18720 5557 1 13 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.773 -0.103 18720 5558 1 13 . 1 1 121 121 ASN CB C 121 38.560 38.560 38.017 0.543 18720 5559 1 13 . 1 1 122 122 GLY N N 122 129.450 129.450 108.542 20.908 18720 5560 1 13 . 1 1 122 122 GLY C C 122 176.190 176.190 175.320 0.870 18720 5561 1 13 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.823 -0.043 18720 5562 1 13 . 1 1 123 123 LEU N N 123 121.510 121.510 121.322 0.188 18720 5563 1 13 . 1 1 123 123 LEU C C 123 179.060 179.060 179.501 -0.441 18720 5564 1 13 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.190 -0.800 18720 5565 1 13 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.582 0.008 18720 5566 1 13 . 1 1 124 124 LEU N N 124 119.080 119.080 117.541 1.539 18720 5567 1 13 . 1 1 124 124 LEU C C 124 177.880 177.880 178.149 -0.269 18720 5568 1 13 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.409 -1.129 18720 5569 1 13 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.869 0.431 18720 5570 1 13 . 1 1 125 125 LYS N N 125 118.600 118.600 113.689 4.911 18720 5571 1 13 . 1 1 125 125 LYS C C 125 176.540 176.540 176.215 0.325 18720 5572 1 13 . 1 1 125 125 LYS CA C 125 56.470 56.470 55.709 0.761 18720 5573 1 13 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.516 0.214 18720 5574 1 13 . 1 1 126 126 SER N N 126 116.570 116.570 116.232 0.338 18720 5575 1 13 . 1 1 126 126 SER C C 126 173.590 173.590 173.101 0.489 18720 5576 1 13 . 1 1 126 126 SER CA C 126 58.550 58.550 57.847 0.703 18720 5577 1 13 . 1 1 126 126 SER CB C 126 63.880 63.880 64.368 -0.488 18720 5578 1 14 . 1 1 2 2 ALA N N 2 123.960 123.960 124.296 -0.336 18720 5579 1 14 . 1 1 2 2 ALA C C 2 177.620 177.620 175.609 2.011 18720 5580 1 14 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.302 1.608 18720 5581 1 14 . 1 1 2 2 ALA CB C 2 19.050 19.050 21.270 -2.220 18720 5582 1 14 . 1 1 3 3 ASP N N 3 119.570 119.570 120.753 -1.183 18720 5583 1 14 . 1 1 3 3 ASP C C 3 177.150 177.150 177.057 0.093 18720 5584 1 14 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.243 1.557 18720 5585 1 14 . 1 1 3 3 ASP CB C 3 41.610 41.610 41.304 0.305 18720 5586 1 14 . 1 1 4 4 GLU N N 4 123.110 123.110 118.616 4.494 18720 5587 1 14 . 1 1 4 4 GLU C C 4 177.710 177.710 178.605 -0.895 18720 5588 1 14 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.127 -0.737 18720 5589 1 14 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.656 0.144 18720 5590 1 14 . 1 1 5 5 SER N N 5 116.020 116.020 116.608 -0.588 18720 5591 1 14 . 1 1 5 5 SER CA C 5 60.870 60.870 61.275 -0.405 18720 5592 1 14 . 1 1 5 5 SER CB C 5 62.940 62.940 62.811 0.129 18720 5593 1 14 . 1 1 6 6 ILE N N 6 123.790 123.790 121.102 2.688 18720 5594 1 14 . 1 1 6 6 ILE C C 6 178.180 178.180 177.924 0.256 18720 5595 1 14 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.205 0.465 18720 5596 1 14 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.591 1.069 18720 5597 1 14 . 1 1 7 7 THR N N 7 117.450 117.450 116.491 0.959 18720 5598 1 14 . 1 1 7 7 THR C C 7 176.030 176.030 176.835 -0.805 18720 5599 1 14 . 1 1 7 7 THR CA C 7 66.370 66.370 67.123 -0.753 18720 5600 1 14 . 1 1 7 7 THR CB C 7 68.640 68.640 68.480 0.160 18720 5601 1 14 . 1 1 8 8 ARG N N 8 120.770 120.770 120.616 0.154 18720 5602 1 14 . 1 1 8 8 ARG C C 8 179.040 179.040 178.498 0.542 18720 5603 1 14 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.992 -0.603 18720 5604 1 14 . 1 1 8 8 ARG CB C 8 29.990 29.990 30.018 -0.028 18720 5605 1 14 . 1 1 9 9 MET N N 9 119.840 119.840 118.583 1.257 18720 5606 1 14 . 1 1 9 9 MET C C 9 178.760 178.760 178.371 0.389 18720 5607 1 14 . 1 1 9 9 MET CA C 9 58.240 58.240 59.386 -1.146 18720 5608 1 14 . 1 1 9 9 MET CB C 9 31.970 31.970 32.215 -0.245 18720 5609 1 14 . 1 1 10 10 ASN N N 10 120.190 120.190 118.608 1.582 18720 5610 1 14 . 1 1 10 10 ASN C C 10 176.660 176.660 177.787 -1.127 18720 5611 1 14 . 1 1 10 10 ASN CA C 10 55.640 55.640 55.992 -0.352 18720 5612 1 14 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.248 0.062 18720 5613 1 14 . 1 1 11 11 LEU N N 11 121.490 121.490 121.185 0.305 18720 5614 1 14 . 1 1 11 11 LEU C C 11 177.690 177.690 177.955 -0.265 18720 5615 1 14 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.794 -0.404 18720 5616 1 14 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.509 -0.529 18720 5617 1 14 . 1 1 12 12 ALA N N 12 120.380 120.380 121.578 -1.198 18720 5618 1 14 . 1 1 12 12 ALA C C 12 179.910 179.910 179.444 0.466 18720 5619 1 14 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.099 -0.209 18720 5620 1 14 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.929 -0.369 18720 5621 1 14 . 1 1 13 13 ALA N N 13 119.960 119.960 121.070 -1.110 18720 5622 1 14 . 1 1 13 13 ALA C C 13 179.740 179.740 179.983 -0.243 18720 5623 1 14 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.649 0.181 18720 5624 1 14 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.232 -0.712 18720 5625 1 14 . 1 1 14 14 ILE N N 14 118.040 118.040 119.737 -1.697 18720 5626 1 14 . 1 1 14 14 ILE C C 14 178.220 178.220 177.720 0.500 18720 5627 1 14 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.102 -0.742 18720 5628 1 14 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.238 -0.098 18720 5629 1 14 . 1 1 15 15 LYS N N 15 118.740 118.740 117.815 0.925 18720 5630 1 14 . 1 1 15 15 LYS C C 15 177.440 177.440 178.344 -0.904 18720 5631 1 14 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.576 -0.756 18720 5632 1 14 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.883 1.008 18720 5633 1 14 . 1 1 16 16 LYS N N 16 115.750 115.750 117.357 -1.607 18720 5634 1 14 . 1 1 16 16 LYS C C 16 177.060 177.060 177.598 -0.538 18720 5635 1 14 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.406 0.155 18720 5636 1 14 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.354 0.236 18720 5637 1 14 . 1 1 17 17 ILE N N 17 115.830 115.830 116.346 -0.516 18720 5638 1 14 . 1 1 17 17 ILE C C 17 175.500 175.500 176.210 -0.710 18720 5639 1 14 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.711 -1.271 18720 5640 1 14 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.401 -0.441 18720 5641 1 14 . 1 1 18 18 ASP N N 18 119.320 119.320 120.481 -1.161 18720 5642 1 14 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.369 -0.629 18720 5643 1 14 . 1 1 18 18 ASP CB C 18 40.710 40.710 40.968 -0.258 18720 5644 1 14 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.132 -0.533 18720 5645 1 14 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.701 0.309 18720 5646 1 14 . 1 1 20 20 TYR N N 20 115.540 115.540 113.460 2.080 18720 5647 1 14 . 1 1 20 20 TYR C C 20 175.350 175.350 174.691 0.659 18720 5648 1 14 . 1 1 20 20 TYR CA C 20 57.810 57.810 55.408 2.402 18720 5649 1 14 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.944 0.196 18720 5650 1 14 . 1 1 21 21 ALA N N 21 122.720 122.720 122.902 -0.182 18720 5651 1 14 . 1 1 21 21 ALA C C 21 175.410 175.410 176.301 -0.891 18720 5652 1 14 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.431 2.898 18720 5653 1 14 . 1 1 21 21 ALA CB C 21 20.690 20.690 19.286 1.404 18720 5654 1 14 . 1 1 22 22 LYS N N 22 121.370 121.370 123.263 -1.893 18720 5655 1 14 . 1 1 22 22 LYS C C 22 175.400 175.400 176.608 -1.208 18720 5656 1 14 . 1 1 22 22 LYS CA C 22 56.820 56.820 57.145 -0.325 18720 5657 1 14 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.131 1.729 18720 5658 1 14 . 1 1 23 23 GLU N N 23 113.820 113.820 119.273 -5.453 18720 5659 1 14 . 1 1 23 23 GLU C C 23 174.470 174.470 174.361 0.109 18720 5660 1 14 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.136 0.194 18720 5661 1 14 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.973 0.067 18720 5662 1 14 . 1 1 24 24 ILE N N 24 125.650 125.650 124.260 1.390 18720 5663 1 14 . 1 1 24 24 ILE C C 24 175.360 175.360 176.378 -1.018 18720 5664 1 14 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.647 1.123 18720 5665 1 14 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.453 -0.843 18720 5666 1 14 . 1 1 25 25 VAL N N 25 127.290 127.290 127.053 0.237 18720 5667 1 14 . 1 1 25 25 VAL C C 25 175.240 175.240 175.997 -0.757 18720 5668 1 14 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.010 -0.390 18720 5669 1 14 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.773 0.567 18720 5670 1 14 . 1 1 26 26 ASP N N 26 117.410 117.410 117.581 -0.171 18720 5671 1 14 . 1 1 26 26 ASP C C 26 174.000 174.000 173.981 0.019 18720 5672 1 14 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.402 -0.372 18720 5673 1 14 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.809 -0.099 18720 5674 1 14 . 1 1 27 27 SER N N 27 115.600 115.600 117.277 -1.677 18720 5675 1 14 . 1 1 27 27 SER C C 27 172.420 172.420 172.978 -0.558 18720 5676 1 14 . 1 1 27 27 SER CA C 27 57.200 57.200 56.875 0.325 18720 5677 1 14 . 1 1 27 27 SER CB C 27 67.230 67.230 65.903 1.327 18720 5678 1 14 . 1 1 28 28 SER N N 28 113.820 113.820 119.782 -5.962 18720 5679 1 14 . 1 1 28 28 SER C C 28 176.140 176.140 175.175 0.965 18720 5680 1 14 . 1 1 28 28 SER CA C 28 57.840 57.840 56.145 1.695 18720 5681 1 14 . 1 1 28 28 SER CB C 28 65.830 65.830 65.096 0.734 18720 5682 1 14 . 1 1 29 29 SER N N 29 121.670 121.670 123.061 -1.391 18720 5683 1 14 . 1 1 29 29 SER CA C 29 61.900 61.900 61.032 0.868 18720 5684 1 14 . 1 1 29 29 SER CB C 29 63.720 63.720 63.594 0.126 18720 5685 1 14 . 1 1 30 30 HIS CA C 30 56.630 56.630 55.883 0.747 18720 5686 1 14 . 1 1 31 31 VAL N N 31 127.450 127.450 125.896 1.554 18720 5687 1 14 . 1 1 31 31 VAL C C 31 173.480 173.480 173.414 0.066 18720 5688 1 14 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.857 -0.527 18720 5689 1 14 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.332 0.208 18720 5690 1 14 . 1 1 32 32 ALA N N 32 125.580 125.580 127.662 -2.082 18720 5691 1 14 . 1 1 32 32 ALA C C 32 175.260 175.260 175.143 0.117 18720 5692 1 14 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.951 0.859 18720 5693 1 14 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.176 -0.156 18720 5694 1 14 . 1 1 33 33 PHE N N 33 123.530 123.530 122.355 1.175 18720 5695 1 14 . 1 1 33 33 PHE C C 33 174.210 174.210 173.802 0.408 18720 5696 1 14 . 1 1 33 33 PHE CA C 33 56.050 56.050 57.009 -0.959 18720 5697 1 14 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.916 -0.896 18720 5698 1 14 . 1 1 34 34 TYR N N 34 130.040 130.040 126.070 3.970 18720 5699 1 14 . 1 1 34 34 TYR C C 34 173.300 173.300 175.068 -1.768 18720 5700 1 14 . 1 1 34 34 TYR CA C 34 57.500 57.500 57.077 0.423 18720 5701 1 14 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.712 1.438 18720 5702 1 14 . 1 1 35 35 THR N N 35 109.080 109.080 118.285 -9.205 18720 5703 1 14 . 1 1 35 35 THR C C 35 172.150 172.150 172.771 -0.621 18720 5704 1 14 . 1 1 35 35 THR CA C 35 59.670 59.670 61.895 -2.225 18720 5705 1 14 . 1 1 35 35 THR CB C 35 70.820 70.820 71.490 -0.670 18720 5706 1 14 . 1 1 36 36 PHE N N 36 126.090 126.090 125.555 0.535 18720 5707 1 14 . 1 1 36 36 PHE C C 36 173.570 173.570 173.638 -0.068 18720 5708 1 14 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.376 1.534 18720 5709 1 14 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.555 -2.785 18720 5710 1 14 . 1 1 37 37 ASN N N 37 128.500 128.500 125.603 2.897 18720 5711 1 14 . 1 1 37 37 ASN C C 37 175.280 175.280 174.705 0.575 18720 5712 1 14 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.724 -0.194 18720 5713 1 14 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.685 -1.955 18720 5714 1 14 . 1 1 38 38 SER N N 38 121.880 121.880 122.253 -0.373 18720 5715 1 14 . 1 1 38 38 SER CB C 38 63.050 63.050 63.300 -0.249 18720 5716 1 14 . 1 1 39 39 SER C C 39 175.410 175.410 175.546 -0.136 18720 5717 1 14 . 1 1 39 39 SER CA C 39 61.020 61.020 60.841 0.179 18720 5718 1 14 . 1 1 39 39 SER CB C 39 62.700 62.700 63.419 -0.719 18720 5719 1 14 . 1 1 40 40 GLN N N 40 117.370 117.370 118.842 -1.472 18720 5720 1 14 . 1 1 40 40 GLN C C 40 174.910 174.910 175.795 -0.885 18720 5721 1 14 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.717 -0.917 18720 5722 1 14 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.506 0.303 18720 5723 1 14 . 1 1 41 41 ASN N N 41 118.400 118.400 115.965 2.435 18720 5724 1 14 . 1 1 41 41 ASN C C 41 173.240 173.240 173.508 -0.268 18720 5725 1 14 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.055 0.145 18720 5726 1 14 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.877 -0.237 18720 5727 1 14 . 1 1 42 42 GLU N N 42 112.910 112.910 115.886 -2.976 18720 5728 1 14 . 1 1 42 42 GLU C C 42 174.620 174.620 174.352 0.268 18720 5729 1 14 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.958 -0.848 18720 5730 1 14 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.597 0.853 18720 5731 1 14 . 1 1 43 43 TRP N N 43 123.140 123.140 120.553 2.587 18720 5732 1 14 . 1 1 43 43 TRP C C 43 175.850 175.850 176.726 -0.876 18720 5733 1 14 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.186 0.454 18720 5734 1 14 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.918 0.692 18720 5735 1 14 . 1 1 44 44 GLU N N 44 120.660 120.660 124.048 -3.388 18720 5736 1 14 . 1 1 44 44 GLU C C 44 175.030 175.030 175.024 0.006 18720 5737 1 14 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.558 0.562 18720 5738 1 14 . 1 1 44 44 GLU CB C 44 32.110 32.110 33.216 -1.106 18720 5739 1 14 . 1 1 45 45 LYS N N 45 123.100 123.100 127.728 -4.628 18720 5740 1 14 . 1 1 45 45 LYS C C 45 176.810 176.810 176.451 0.359 18720 5741 1 14 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.589 0.371 18720 5742 1 14 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.945 0.395 18720 5743 1 14 . 1 1 46 46 THR N N 46 114.570 114.570 118.779 -4.209 18720 5744 1 14 . 1 1 46 46 THR C C 46 174.130 174.130 174.661 -0.531 18720 5745 1 14 . 1 1 46 46 THR CA C 46 61.720 61.720 60.864 0.857 18720 5746 1 14 . 1 1 46 46 THR CB C 46 71.720 71.720 69.929 1.791 18720 5747 1 14 . 1 1 47 47 ASP N N 47 118.590 118.590 119.923 -1.333 18720 5748 1 14 . 1 1 47 47 ASP C C 47 174.390 174.390 175.296 -0.906 18720 5749 1 14 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.552 -0.642 18720 5750 1 14 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.333 -0.463 18720 5751 1 14 . 1 1 48 48 VAL N N 48 118.730 118.730 120.950 -2.220 18720 5752 1 14 . 1 1 48 48 VAL C C 48 174.840 174.840 173.785 1.055 18720 5753 1 14 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.623 0.737 18720 5754 1 14 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.276 1.114 18720 5755 1 14 . 1 1 49 49 GLU N N 49 127.180 127.180 128.879 -1.699 18720 5756 1 14 . 1 1 49 49 GLU C C 49 174.140 174.140 175.035 -0.895 18720 5757 1 14 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.147 0.083 18720 5758 1 14 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.476 0.394 18720 5759 1 14 . 1 1 50 50 GLY N N 50 110.640 110.640 112.077 -1.437 18720 5760 1 14 . 1 1 50 50 GLY C C 50 171.360 171.360 171.879 -0.519 18720 5761 1 14 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.048 0.672 18720 5762 1 14 . 1 1 51 51 ALA N N 51 124.800 124.800 121.839 2.961 18720 5763 1 14 . 1 1 51 51 ALA C C 51 174.220 174.220 175.753 -1.533 18720 5764 1 14 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.227 1.443 18720 5765 1 14 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.831 -0.561 18720 5766 1 14 . 1 1 52 52 PHE N N 52 123.680 123.680 125.672 -1.992 18720 5767 1 14 . 1 1 52 52 PHE C C 52 173.650 173.650 173.378 0.272 18720 5768 1 14 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.294 -0.374 18720 5769 1 14 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.306 2.394 18720 5770 1 14 . 1 1 53 53 PHE N N 53 123.690 123.690 126.422 -2.732 18720 5771 1 14 . 1 1 53 53 PHE C C 53 174.760 174.760 174.076 0.684 18720 5772 1 14 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.527 0.993 18720 5773 1 14 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.605 -0.185 18720 5774 1 14 . 1 1 54 54 ILE N N 54 119.970 119.970 121.376 -1.406 18720 5775 1 14 . 1 1 54 54 ILE C C 54 175.240 175.240 174.706 0.534 18720 5776 1 14 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.818 -1.328 18720 5777 1 14 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.460 -0.570 18720 5778 1 14 . 1 1 55 55 TYR N N 55 125.670 125.670 126.686 -1.016 18720 5779 1 14 . 1 1 55 55 TYR C C 55 170.980 170.980 175.045 -4.065 18720 5780 1 14 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.406 0.914 18720 5781 1 14 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.715 2.264 18720 5782 1 14 . 1 1 56 56 HIS N N 56 121.710 121.710 122.937 -1.227 18720 5783 1 14 . 1 1 56 56 HIS C C 56 175.000 175.000 173.592 1.408 18720 5784 1 14 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.702 -1.972 18720 5785 1 14 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.223 0.077 18720 5786 1 14 . 1 1 57 57 ARG N N 57 126.870 126.870 125.036 1.834 18720 5787 1 14 . 1 1 57 57 ARG C C 57 174.770 174.770 174.061 0.709 18720 5788 1 14 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.664 0.366 18720 5789 1 14 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.369 1.721 18720 5790 1 14 . 1 1 58 58 ASN N N 58 115.660 115.660 121.016 -5.356 18720 5791 1 14 . 1 1 58 58 ASN C C 58 173.540 173.540 174.069 -0.529 18720 5792 1 14 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.822 -1.052 18720 5793 1 14 . 1 1 58 58 ASN CB C 58 39.180 39.180 38.067 1.113 18720 5794 1 14 . 1 1 59 59 ALA N N 59 120.190 120.190 121.311 -1.121 18720 5795 1 14 . 1 1 59 59 ALA C C 59 173.000 173.000 174.976 -1.976 18720 5796 1 14 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.814 -0.474 18720 5797 1 14 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.052 0.828 18720 5798 1 14 . 1 1 60 60 GLU N N 60 117.270 117.270 119.824 -2.554 18720 5799 1 14 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.761 -0.251 18720 5800 1 14 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.446 0.224 18720 5801 1 14 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.521 -0.461 18720 5802 1 14 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.460 1.170 18720 5803 1 14 . 1 1 62 62 PHE N N 62 120.680 120.680 119.259 1.421 18720 5804 1 14 . 1 1 62 62 PHE C C 62 174.840 174.840 175.557 -0.717 18720 5805 1 14 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.687 -0.907 18720 5806 1 14 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.706 -0.486 18720 5807 1 14 . 1 1 63 63 HIS N N 63 115.820 115.820 112.654 3.166 18720 5808 1 14 . 1 1 63 63 HIS C C 63 174.540 174.540 173.900 0.640 18720 5809 1 14 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.697 0.294 18720 5810 1 14 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.752 0.578 18720 5811 1 14 . 1 1 64 64 SER N N 64 114.040 114.040 116.309 -2.269 18720 5812 1 14 . 1 1 64 64 SER C C 64 169.620 169.620 172.365 -2.745 18720 5813 1 14 . 1 1 64 64 SER CA C 64 55.980 55.980 57.915 -1.935 18720 5814 1 14 . 1 1 64 64 SER CB C 64 66.770 66.770 65.625 1.145 18720 5815 1 14 . 1 1 65 65 ILE N N 65 125.090 125.090 123.167 1.923 18720 5816 1 14 . 1 1 65 65 ILE C C 65 174.630 174.630 173.899 0.731 18720 5817 1 14 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.615 -0.395 18720 5818 1 14 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.700 -0.110 18720 5819 1 14 . 1 1 66 66 PHE N N 66 127.730 127.730 126.532 1.198 18720 5820 1 14 . 1 1 66 66 PHE C C 66 174.680 174.680 172.978 1.702 18720 5821 1 14 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.677 -0.377 18720 5822 1 14 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.240 1.790 18720 5823 1 14 . 1 1 67 67 ILE N N 67 124.780 124.780 124.552 0.228 18720 5824 1 14 . 1 1 67 67 ILE C C 67 174.180 174.180 173.666 0.514 18720 5825 1 14 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.641 0.029 18720 5826 1 14 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.233 -0.513 18720 5827 1 14 . 1 1 68 68 ASN N N 68 124.620 124.620 125.026 -0.406 18720 5828 1 14 . 1 1 68 68 ASN C C 68 174.260 174.260 173.890 0.370 18720 5829 1 14 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.844 -0.774 18720 5830 1 14 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.608 -0.608 18720 5831 1 14 . 1 1 69 69 ASN N N 69 124.120 124.120 125.469 -1.349 18720 5832 1 14 . 1 1 69 69 ASN C C 69 175.740 175.740 176.109 -0.369 18720 5833 1 14 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.853 0.347 18720 5834 1 14 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.729 0.791 18720 5835 1 14 . 1 1 70 70 ARG N N 70 123.310 123.310 126.973 -3.663 18720 5836 1 14 . 1 1 70 70 ARG CA C 70 56.960 56.960 59.105 -2.145 18720 5837 1 14 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.535 0.525 18720 5838 1 14 . 1 1 73 73 THR C C 73 175.310 175.310 173.647 1.663 18720 5839 1 14 . 1 1 73 73 THR CA C 73 62.320 62.320 63.770 -1.450 18720 5840 1 14 . 1 1 73 73 THR CB C 73 69.070 69.070 66.374 2.696 18720 5841 1 14 . 1 1 74 74 THR N N 74 119.010 119.010 117.146 1.864 18720 5842 1 14 . 1 1 74 74 THR C C 74 173.810 173.810 173.740 0.070 18720 5843 1 14 . 1 1 74 74 THR CA C 74 62.700 62.700 61.155 1.545 18720 5844 1 14 . 1 1 74 74 THR CB C 74 69.750 69.750 71.486 -1.736 18720 5845 1 14 . 1 1 75 75 SER N N 75 120.750 120.750 121.177 -0.427 18720 5846 1 14 . 1 1 75 75 SER C C 75 172.250 172.250 173.568 -1.318 18720 5847 1 14 . 1 1 75 75 SER CA C 75 58.300 58.300 58.217 0.083 18720 5848 1 14 . 1 1 75 75 SER CB C 75 65.290 65.290 64.052 1.238 18720 5849 1 14 . 1 1 76 76 PHE N N 76 122.090 122.090 127.671 -5.581 18720 5850 1 14 . 1 1 76 76 PHE C C 76 172.040 172.040 172.774 -0.734 18720 5851 1 14 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.401 0.379 18720 5852 1 14 . 1 1 76 76 PHE CB C 76 43.300 43.300 41.633 1.667 18720 5853 1 14 . 1 1 77 77 VAL N N 77 124.490 124.490 126.219 -1.729 18720 5854 1 14 . 1 1 77 77 VAL C C 77 174.390 174.390 174.314 0.076 18720 5855 1 14 . 1 1 77 77 VAL CA C 77 59.740 59.740 60.605 -0.865 18720 5856 1 14 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.099 0.511 18720 5857 1 14 . 1 1 78 78 GLU N N 78 125.760 125.760 125.753 0.007 18720 5858 1 14 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.963 -0.843 18720 5859 1 14 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.284 0.506 18720 5860 1 14 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.452 0.318 18720 5861 1 14 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.725 -0.165 18720 5862 1 14 . 1 1 80 80 ILE N N 80 123.190 123.190 123.100 0.090 18720 5863 1 14 . 1 1 80 80 ILE C C 80 174.250 174.250 175.982 -1.732 18720 5864 1 14 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.663 -0.243 18720 5865 1 14 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.259 -1.619 18720 5866 1 14 . 1 1 81 81 THR N N 81 115.840 115.840 118.837 -2.997 18720 5867 1 14 . 1 1 81 81 THR C C 81 174.140 174.140 175.150 -1.010 18720 5868 1 14 . 1 1 81 81 THR CA C 81 59.500 59.500 60.559 -1.059 18720 5869 1 14 . 1 1 81 81 THR CB C 81 71.030 71.030 71.691 -0.661 18720 5870 1 14 . 1 1 82 82 GLY N N 82 128.890 128.890 109.364 19.526 18720 5871 1 14 . 1 1 82 82 GLY C C 82 176.630 176.630 174.593 2.037 18720 5872 1 14 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.035 1.385 18720 5873 1 14 . 1 1 83 83 SER N N 83 113.780 113.780 116.127 -2.347 18720 5874 1 14 . 1 1 83 83 SER C C 83 173.410 173.410 175.055 -1.645 18720 5875 1 14 . 1 1 83 83 SER CA C 83 57.840 57.840 58.490 -0.650 18720 5876 1 14 . 1 1 83 83 SER CB C 83 63.480 63.480 64.318 -0.838 18720 5877 1 14 . 1 1 84 84 LEU N N 84 123.770 123.770 124.780 -1.010 18720 5878 1 14 . 1 1 84 84 LEU C C 84 175.350 175.350 176.087 -0.737 18720 5879 1 14 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.234 0.896 18720 5880 1 14 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.439 0.251 18720 5881 1 14 . 1 1 85 85 GLU N N 85 124.380 124.380 123.288 1.092 18720 5882 1 14 . 1 1 85 85 GLU C C 85 174.280 174.280 174.877 -0.597 18720 5883 1 14 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.334 -0.464 18720 5884 1 14 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.158 1.262 18720 5885 1 14 . 1 1 86 86 LEU N N 86 121.400 121.400 124.481 -3.081 18720 5886 1 14 . 1 1 86 86 LEU C C 86 177.240 177.240 176.876 0.364 18720 5887 1 14 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.812 0.678 18720 5888 1 14 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.427 1.693 18720 5889 1 14 . 1 1 87 87 GLN N N 87 121.690 121.690 119.297 2.393 18720 5890 1 14 . 1 1 87 87 GLN C C 87 173.460 173.460 173.972 -0.512 18720 5891 1 14 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.665 1.415 18720 5892 1 14 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.136 -1.366 18720 5893 1 14 . 1 1 88 88 SER N N 88 120.000 120.000 117.233 2.767 18720 5894 1 14 . 1 1 88 88 SER C C 88 174.930 174.930 173.742 1.188 18720 5895 1 14 . 1 1 88 88 SER CA C 88 57.540 57.540 57.603 -0.063 18720 5896 1 14 . 1 1 88 88 SER CB C 88 63.750 63.750 63.080 0.670 18720 5897 1 14 . 1 1 89 89 GLN N N 89 129.170 129.170 126.922 2.248 18720 5898 1 14 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.782 0.837 18720 5899 1 14 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.526 -0.027 18720 5900 1 14 . 1 1 93 93 LEU C C 93 173.810 173.810 174.521 -0.711 18720 5901 1 14 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.917 -0.027 18720 5902 1 14 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.065 0.725 18720 5903 1 14 . 1 1 94 94 LEU N N 94 125.950 125.950 127.881 -1.931 18720 5904 1 14 . 1 1 94 94 LEU C C 94 175.680 175.680 174.274 1.406 18720 5905 1 14 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.926 1.044 18720 5906 1 14 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.192 -1.912 18720 5907 1 14 . 1 1 95 95 TYR N N 95 118.250 118.250 121.063 -2.813 18720 5908 1 14 . 1 1 95 95 TYR C C 95 171.830 171.830 173.309 -1.479 18720 5909 1 14 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.682 1.438 18720 5910 1 14 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.354 0.256 18720 5911 1 14 . 1 1 96 96 ARG N N 96 114.570 114.570 119.690 -5.120 18720 5912 1 14 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.807 -1.607 18720 5913 1 14 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.751 0.229 18720 5914 1 14 . 1 1 99 99 ARG C C 99 175.470 175.470 175.174 0.296 18720 5915 1 14 . 1 1 99 99 ARG CB C 99 29.380 29.380 29.272 0.108 18720 5916 1 14 . 1 1 100 100 SER N N 100 110.460 110.460 110.851 -0.391 18720 5917 1 14 . 1 1 100 100 SER C C 100 173.620 173.620 173.855 -0.235 18720 5918 1 14 . 1 1 100 100 SER CA C 100 59.570 59.570 59.829 -0.259 18720 5919 1 14 . 1 1 100 100 SER CB C 100 62.640 62.640 62.170 0.470 18720 5920 1 14 . 1 1 101 101 ARG N N 101 119.500 119.500 119.394 0.106 18720 5921 1 14 . 1 1 101 101 ARG C C 101 174.900 174.900 174.673 0.227 18720 5922 1 14 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.427 0.083 18720 5923 1 14 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.360 -1.890 18720 5924 1 14 . 1 1 102 102 ILE N N 102 124.730 124.730 121.713 3.017 18720 5925 1 14 . 1 1 102 102 ILE C C 102 175.360 175.360 174.788 0.572 18720 5926 1 14 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.597 1.073 18720 5927 1 14 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.161 -0.431 18720 5928 1 14 . 1 1 103 103 ARG N N 103 130.770 130.770 125.001 5.769 18720 5929 1 14 . 1 1 103 103 ARG C C 103 173.480 173.480 174.312 -0.832 18720 5930 1 14 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.123 0.707 18720 5931 1 14 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.718 1.572 18720 5932 1 14 . 1 1 104 104 GLY N N 104 128.260 128.260 107.466 20.794 18720 5933 1 14 . 1 1 104 104 GLY C C 104 170.890 170.890 171.408 -0.518 18720 5934 1 14 . 1 1 104 104 GLY CA C 104 46.440 46.440 43.849 2.591 18720 5935 1 14 . 1 1 105 105 PHE N N 105 118.120 118.120 117.799 0.321 18720 5936 1 14 . 1 1 105 105 PHE C C 105 173.920 173.920 173.498 0.422 18720 5937 1 14 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.329 -1.669 18720 5938 1 14 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.704 -0.484 18720 5939 1 14 . 1 1 106 106 TRP N N 106 124.290 124.290 124.327 -0.037 18720 5940 1 14 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.538 -0.128 18720 5941 1 14 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.133 -0.253 18720 5942 1 14 . 1 1 110 110 SER C C 110 175.240 175.240 175.874 -0.634 18720 5943 1 14 . 1 1 110 110 SER CA C 110 62.920 62.920 61.883 1.037 18720 5944 1 14 . 1 1 110 110 SER CB C 110 64.980 64.980 63.165 1.815 18720 5945 1 14 . 1 1 111 111 GLU N N 111 122.310 122.310 121.553 0.757 18720 5946 1 14 . 1 1 111 111 GLU C C 111 179.150 179.150 178.483 0.667 18720 5947 1 14 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.384 0.156 18720 5948 1 14 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.144 -0.574 18720 5949 1 14 . 1 1 112 112 GLU N N 112 118.920 118.920 120.060 -1.140 18720 5950 1 14 . 1 1 112 112 GLU C C 112 176.360 176.360 178.393 -2.033 18720 5951 1 14 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.013 -0.933 18720 5952 1 14 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.448 0.792 18720 5953 1 14 . 1 1 113 113 CYS N N 113 117.090 117.090 117.437 -0.347 18720 5954 1 14 . 1 1 113 113 CYS C C 113 176.110 176.110 176.256 -0.146 18720 5955 1 14 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.390 -0.890 18720 5956 1 14 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.067 0.733 18720 5957 1 14 . 1 1 114 114 ASP N N 114 118.820 118.820 121.225 -2.405 18720 5958 1 14 . 1 1 114 114 ASP C C 114 178.460 178.460 178.124 0.336 18720 5959 1 14 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.044 0.296 18720 5960 1 14 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.698 0.372 18720 5961 1 14 . 1 1 115 115 ARG N N 115 120.870 120.870 119.582 1.288 18720 5962 1 14 . 1 1 115 115 ARG C C 115 179.440 179.440 178.586 0.854 18720 5963 1 14 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.343 0.307 18720 5964 1 14 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.016 0.684 18720 5965 1 14 . 1 1 116 116 ILE N N 116 119.500 119.500 118.278 1.222 18720 5966 1 14 . 1 1 116 116 ILE C C 116 177.680 177.680 177.911 -0.231 18720 5967 1 14 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.740 -1.800 18720 5968 1 14 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.678 -1.958 18720 5969 1 14 . 1 1 117 117 SER N N 117 115.890 115.890 116.049 -0.159 18720 5970 1 14 . 1 1 117 117 SER C C 117 176.720 176.720 176.792 -0.072 18720 5971 1 14 . 1 1 117 117 SER CA C 117 62.630 62.630 61.445 1.185 18720 5972 1 14 . 1 1 117 117 SER CB C 117 62.660 62.660 62.819 -0.159 18720 5973 1 14 . 1 1 118 118 GLY N N 118 130.780 130.780 110.486 20.294 18720 5974 1 14 . 1 1 118 118 GLY C C 118 176.570 176.570 175.846 0.724 18720 5975 1 14 . 1 1 118 118 GLY CA C 118 47.090 47.090 46.985 0.105 18720 5976 1 14 . 1 1 119 119 LEU N N 119 124.450 124.450 122.493 1.957 18720 5977 1 14 . 1 1 119 119 LEU C C 119 179.470 179.470 178.980 0.490 18720 5978 1 14 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.791 0.019 18720 5979 1 14 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.814 0.496 18720 5980 1 14 . 1 1 120 120 VAL N N 120 119.140 119.140 119.366 -0.226 18720 5981 1 14 . 1 1 120 120 VAL C C 120 177.380 177.380 177.989 -0.609 18720 5982 1 14 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.641 0.789 18720 5983 1 14 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.188 -0.318 18720 5984 1 14 . 1 1 121 121 ASN N N 121 116.650 116.650 118.538 -1.888 18720 5985 1 14 . 1 1 121 121 ASN C C 121 178.330 178.330 178.052 0.278 18720 5986 1 14 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.155 0.515 18720 5987 1 14 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.695 0.865 18720 5988 1 14 . 1 1 122 122 GLY N N 122 129.450 129.450 108.692 20.758 18720 5989 1 14 . 1 1 122 122 GLY C C 122 176.190 176.190 176.144 0.046 18720 5990 1 14 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.916 -0.137 18720 5991 1 14 . 1 1 123 123 LEU N N 123 121.510 121.510 122.518 -1.008 18720 5992 1 14 . 1 1 123 123 LEU C C 123 179.060 179.060 179.521 -0.461 18720 5993 1 14 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.408 -1.018 18720 5994 1 14 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.584 0.007 18720 5995 1 14 . 1 1 124 124 LEU N N 124 119.080 119.080 117.527 1.553 18720 5996 1 14 . 1 1 124 124 LEU C C 124 177.880 177.880 178.260 -0.380 18720 5997 1 14 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.397 -1.117 18720 5998 1 14 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.699 0.601 18720 5999 1 14 . 1 1 125 125 LYS N N 125 118.600 118.600 114.772 3.828 18720 6000 1 14 . 1 1 125 125 LYS C C 125 176.540 176.540 176.493 0.047 18720 6001 1 14 . 1 1 125 125 LYS CA C 125 56.470 56.470 56.196 0.274 18720 6002 1 14 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.619 0.111 18720 6003 1 14 . 1 1 126 126 SER N N 126 116.570 116.570 116.731 -0.161 18720 6004 1 14 . 1 1 126 126 SER C C 126 173.590 173.590 173.146 0.444 18720 6005 1 14 . 1 1 126 126 SER CA C 126 58.550 58.550 57.829 0.721 18720 6006 1 14 . 1 1 126 126 SER CB C 126 63.880 63.880 65.728 -1.848 18720 6007 1 15 . 1 1 2 2 ALA N N 2 123.960 123.960 126.482 -2.522 18720 6008 1 15 . 1 1 2 2 ALA C C 2 177.620 177.620 176.357 1.263 18720 6009 1 15 . 1 1 2 2 ALA CA C 2 52.910 52.910 52.248 0.662 18720 6010 1 15 . 1 1 2 2 ALA CB C 2 19.050 19.050 19.408 -0.358 18720 6011 1 15 . 1 1 3 3 ASP N N 3 119.570 119.570 121.745 -2.175 18720 6012 1 15 . 1 1 3 3 ASP C C 3 177.150 177.150 176.538 0.612 18720 6013 1 15 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.611 1.189 18720 6014 1 15 . 1 1 3 3 ASP CB C 3 41.610 41.610 41.352 0.258 18720 6015 1 15 . 1 1 4 4 GLU N N 4 123.110 123.110 119.302 3.808 18720 6016 1 15 . 1 1 4 4 GLU C C 4 177.710 177.710 177.935 -0.225 18720 6017 1 15 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.248 -0.859 18720 6018 1 15 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.729 0.071 18720 6019 1 15 . 1 1 5 5 SER N N 5 116.020 116.020 115.988 0.032 18720 6020 1 15 . 1 1 5 5 SER CA C 5 60.870 60.870 61.854 -0.984 18720 6021 1 15 . 1 1 5 5 SER CB C 5 62.940 62.940 62.482 0.458 18720 6022 1 15 . 1 1 6 6 ILE N N 6 123.790 123.790 120.981 2.809 18720 6023 1 15 . 1 1 6 6 ILE C C 6 178.180 178.180 177.793 0.387 18720 6024 1 15 . 1 1 6 6 ILE CA C 6 63.670 63.670 64.433 -0.763 18720 6025 1 15 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.417 1.243 18720 6026 1 15 . 1 1 7 7 THR N N 7 117.450 117.450 116.843 0.607 18720 6027 1 15 . 1 1 7 7 THR C C 7 176.030 176.030 176.958 -0.928 18720 6028 1 15 . 1 1 7 7 THR CA C 7 66.370 66.370 66.849 -0.479 18720 6029 1 15 . 1 1 7 7 THR CB C 7 68.640 68.640 68.389 0.251 18720 6030 1 15 . 1 1 8 8 ARG N N 8 120.770 120.770 121.615 -0.845 18720 6031 1 15 . 1 1 8 8 ARG C C 8 179.040 179.040 178.400 0.640 18720 6032 1 15 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.949 -0.559 18720 6033 1 15 . 1 1 8 8 ARG CB C 8 29.990 29.990 30.027 -0.037 18720 6034 1 15 . 1 1 9 9 MET N N 9 119.840 119.840 118.741 1.099 18720 6035 1 15 . 1 1 9 9 MET C C 9 178.760 178.760 177.983 0.777 18720 6036 1 15 . 1 1 9 9 MET CA C 9 58.240 58.240 59.350 -1.111 18720 6037 1 15 . 1 1 9 9 MET CB C 9 31.970 31.970 32.463 -0.493 18720 6038 1 15 . 1 1 10 10 ASN N N 10 120.190 120.190 118.626 1.564 18720 6039 1 15 . 1 1 10 10 ASN C C 10 176.660 176.660 177.624 -0.964 18720 6040 1 15 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.481 -0.841 18720 6041 1 15 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.484 -0.174 18720 6042 1 15 . 1 1 11 11 LEU N N 11 121.490 121.490 120.715 0.775 18720 6043 1 15 . 1 1 11 11 LEU C C 11 177.690 177.690 177.850 -0.160 18720 6044 1 15 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.743 -0.353 18720 6045 1 15 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.573 -0.593 18720 6046 1 15 . 1 1 12 12 ALA N N 12 120.380 120.380 121.572 -1.192 18720 6047 1 15 . 1 1 12 12 ALA C C 12 179.910 179.910 179.445 0.465 18720 6048 1 15 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.095 -0.205 18720 6049 1 15 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.931 -0.371 18720 6050 1 15 . 1 1 13 13 ALA N N 13 119.960 119.960 121.064 -1.104 18720 6051 1 15 . 1 1 13 13 ALA C C 13 179.740 179.740 179.974 -0.234 18720 6052 1 15 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.632 0.198 18720 6053 1 15 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.222 -0.702 18720 6054 1 15 . 1 1 14 14 ILE N N 14 118.040 118.040 119.722 -1.682 18720 6055 1 15 . 1 1 14 14 ILE C C 14 178.220 178.220 177.690 0.530 18720 6056 1 15 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.081 -0.720 18720 6057 1 15 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.227 -0.087 18720 6058 1 15 . 1 1 15 15 LYS N N 15 118.740 118.740 117.349 1.391 18720 6059 1 15 . 1 1 15 15 LYS C C 15 177.440 177.440 178.439 -0.999 18720 6060 1 15 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.553 -0.733 18720 6061 1 15 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.818 1.072 18720 6062 1 15 . 1 1 16 16 LYS N N 16 115.750 115.750 118.911 -3.161 18720 6063 1 15 . 1 1 16 16 LYS C C 16 177.060 177.060 177.457 -0.397 18720 6064 1 15 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.725 -0.165 18720 6065 1 15 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.562 0.028 18720 6066 1 15 . 1 1 17 17 ILE N N 17 115.830 115.830 116.248 -0.418 18720 6067 1 15 . 1 1 17 17 ILE C C 17 175.500 175.500 176.173 -0.673 18720 6068 1 15 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.957 -1.517 18720 6069 1 15 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.278 -0.318 18720 6070 1 15 . 1 1 18 18 ASP N N 18 119.320 119.320 120.544 -1.224 18720 6071 1 15 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.324 -0.584 18720 6072 1 15 . 1 1 18 18 ASP CB C 18 40.710 40.710 41.031 -0.321 18720 6073 1 15 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.132 -0.532 18720 6074 1 15 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.762 0.248 18720 6075 1 15 . 1 1 20 20 TYR N N 20 115.540 115.540 113.518 2.022 18720 6076 1 15 . 1 1 20 20 TYR C C 20 175.350 175.350 174.527 0.823 18720 6077 1 15 . 1 1 20 20 TYR CA C 20 57.810 57.810 55.059 2.751 18720 6078 1 15 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.918 0.222 18720 6079 1 15 . 1 1 21 21 ALA N N 21 122.720 122.720 123.363 -0.643 18720 6080 1 15 . 1 1 21 21 ALA C C 21 175.410 175.410 175.973 -0.563 18720 6081 1 15 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.351 2.979 18720 6082 1 15 . 1 1 21 21 ALA CB C 21 20.690 20.690 18.837 1.853 18720 6083 1 15 . 1 1 22 22 LYS N N 22 121.370 121.370 124.979 -3.609 18720 6084 1 15 . 1 1 22 22 LYS C C 22 175.400 175.400 176.555 -1.155 18720 6085 1 15 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.760 0.060 18720 6086 1 15 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.346 1.514 18720 6087 1 15 . 1 1 23 23 GLU N N 23 113.820 113.820 118.650 -4.830 18720 6088 1 15 . 1 1 23 23 GLU C C 23 174.470 174.470 174.641 -0.171 18720 6089 1 15 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.030 0.300 18720 6090 1 15 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.947 0.093 18720 6091 1 15 . 1 1 24 24 ILE N N 24 125.650 125.650 124.507 1.143 18720 6092 1 15 . 1 1 24 24 ILE C C 24 175.360 175.360 176.273 -0.913 18720 6093 1 15 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.832 0.938 18720 6094 1 15 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.331 -0.721 18720 6095 1 15 . 1 1 25 25 VAL N N 25 127.290 127.290 125.910 1.380 18720 6096 1 15 . 1 1 25 25 VAL C C 25 175.240 175.240 175.702 -0.462 18720 6097 1 15 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.076 -0.456 18720 6098 1 15 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.963 0.377 18720 6099 1 15 . 1 1 26 26 ASP N N 26 117.410 117.410 117.139 0.271 18720 6100 1 15 . 1 1 26 26 ASP C C 26 174.000 174.000 173.701 0.299 18720 6101 1 15 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.492 -0.462 18720 6102 1 15 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.251 0.459 18720 6103 1 15 . 1 1 27 27 SER N N 27 115.600 115.600 117.607 -2.007 18720 6104 1 15 . 1 1 27 27 SER C C 27 172.420 172.420 172.879 -0.459 18720 6105 1 15 . 1 1 27 27 SER CA C 27 57.200 57.200 56.629 0.571 18720 6106 1 15 . 1 1 27 27 SER CB C 27 67.230 67.230 65.697 1.533 18720 6107 1 15 . 1 1 28 28 SER N N 28 113.820 113.820 119.842 -6.022 18720 6108 1 15 . 1 1 28 28 SER C C 28 176.140 176.140 175.618 0.522 18720 6109 1 15 . 1 1 28 28 SER CA C 28 57.840 57.840 55.727 2.113 18720 6110 1 15 . 1 1 28 28 SER CB C 28 65.830 65.830 64.774 1.056 18720 6111 1 15 . 1 1 29 29 SER N N 29 121.670 121.670 124.531 -2.861 18720 6112 1 15 . 1 1 29 29 SER CA C 29 61.900 61.900 61.428 0.472 18720 6113 1 15 . 1 1 29 29 SER CB C 29 63.720 63.720 63.519 0.201 18720 6114 1 15 . 1 1 30 30 HIS CA C 30 56.630 56.630 55.894 0.736 18720 6115 1 15 . 1 1 31 31 VAL N N 31 127.450 127.450 126.077 1.373 18720 6116 1 15 . 1 1 31 31 VAL C C 31 173.480 173.480 173.398 0.082 18720 6117 1 15 . 1 1 31 31 VAL CA C 31 60.330 60.330 61.005 -0.675 18720 6118 1 15 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.459 0.081 18720 6119 1 15 . 1 1 32 32 ALA N N 32 125.580 125.580 126.665 -1.085 18720 6120 1 15 . 1 1 32 32 ALA C C 32 175.260 175.260 175.227 0.033 18720 6121 1 15 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.913 0.897 18720 6122 1 15 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.030 -0.010 18720 6123 1 15 . 1 1 33 33 PHE N N 33 123.530 123.530 122.474 1.056 18720 6124 1 15 . 1 1 33 33 PHE C C 33 174.210 174.210 173.687 0.523 18720 6125 1 15 . 1 1 33 33 PHE CA C 33 56.050 56.050 56.938 -0.888 18720 6126 1 15 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.969 -0.949 18720 6127 1 15 . 1 1 34 34 TYR N N 34 130.040 130.040 126.234 3.806 18720 6128 1 15 . 1 1 34 34 TYR C C 34 173.300 173.300 175.429 -2.129 18720 6129 1 15 . 1 1 34 34 TYR CA C 34 57.500 57.500 57.248 0.252 18720 6130 1 15 . 1 1 34 34 TYR CB C 34 44.150 44.150 43.157 0.993 18720 6131 1 15 . 1 1 35 35 THR N N 35 109.080 109.080 118.636 -9.556 18720 6132 1 15 . 1 1 35 35 THR C C 35 172.150 172.150 172.691 -0.541 18720 6133 1 15 . 1 1 35 35 THR CA C 35 59.670 59.670 61.689 -2.019 18720 6134 1 15 . 1 1 35 35 THR CB C 35 70.820 70.820 71.607 -0.787 18720 6135 1 15 . 1 1 36 36 PHE N N 36 126.090 126.090 125.906 0.184 18720 6136 1 15 . 1 1 36 36 PHE C C 36 173.570 173.570 173.714 -0.144 18720 6137 1 15 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.253 1.657 18720 6138 1 15 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.295 -2.526 18720 6139 1 15 . 1 1 37 37 ASN N N 37 128.500 128.500 125.646 2.854 18720 6140 1 15 . 1 1 37 37 ASN C C 37 175.280 175.280 174.416 0.864 18720 6141 1 15 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.801 -0.271 18720 6142 1 15 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.712 -1.982 18720 6143 1 15 . 1 1 38 38 SER N N 38 121.880 121.880 121.142 0.738 18720 6144 1 15 . 1 1 38 38 SER CB C 38 63.050 63.050 63.471 -0.421 18720 6145 1 15 . 1 1 39 39 SER C C 39 175.410 175.410 175.848 -0.438 18720 6146 1 15 . 1 1 39 39 SER CA C 39 61.020 61.020 60.886 0.134 18720 6147 1 15 . 1 1 39 39 SER CB C 39 62.700 62.700 63.381 -0.681 18720 6148 1 15 . 1 1 40 40 GLN N N 40 117.370 117.370 118.553 -1.183 18720 6149 1 15 . 1 1 40 40 GLN C C 40 174.910 174.910 175.791 -0.881 18720 6150 1 15 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.609 -0.809 18720 6151 1 15 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.632 0.178 18720 6152 1 15 . 1 1 41 41 ASN N N 41 118.400 118.400 116.346 2.054 18720 6153 1 15 . 1 1 41 41 ASN C C 41 173.240 173.240 173.502 -0.262 18720 6154 1 15 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.219 -0.019 18720 6155 1 15 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.776 -0.136 18720 6156 1 15 . 1 1 42 42 GLU N N 42 112.910 112.910 116.972 -4.062 18720 6157 1 15 . 1 1 42 42 GLU C C 42 174.620 174.620 174.379 0.241 18720 6158 1 15 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.982 -0.872 18720 6159 1 15 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.449 1.002 18720 6160 1 15 . 1 1 43 43 TRP N N 43 123.140 123.140 120.897 2.243 18720 6161 1 15 . 1 1 43 43 TRP C C 43 175.850 175.850 176.924 -1.074 18720 6162 1 15 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.144 0.496 18720 6163 1 15 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.915 0.696 18720 6164 1 15 . 1 1 44 44 GLU N N 44 120.660 120.660 123.161 -2.501 18720 6165 1 15 . 1 1 44 44 GLU C C 44 175.030 175.030 175.762 -0.732 18720 6166 1 15 . 1 1 44 44 GLU CA C 44 55.120 55.120 55.290 -0.170 18720 6167 1 15 . 1 1 44 44 GLU CB C 44 32.110 32.110 32.948 -0.838 18720 6168 1 15 . 1 1 45 45 LYS N N 45 123.100 123.100 125.297 -2.197 18720 6169 1 15 . 1 1 45 45 LYS C C 45 176.810 176.810 176.515 0.295 18720 6170 1 15 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.256 0.704 18720 6171 1 15 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.720 0.620 18720 6172 1 15 . 1 1 46 46 THR N N 46 114.570 114.570 115.953 -1.383 18720 6173 1 15 . 1 1 46 46 THR C C 46 174.130 174.130 174.538 -0.408 18720 6174 1 15 . 1 1 46 46 THR CA C 46 61.720 61.720 60.665 1.055 18720 6175 1 15 . 1 1 46 46 THR CB C 46 71.720 71.720 69.576 2.144 18720 6176 1 15 . 1 1 47 47 ASP N N 47 118.590 118.590 118.752 -0.162 18720 6177 1 15 . 1 1 47 47 ASP C C 47 174.390 174.390 175.554 -1.164 18720 6178 1 15 . 1 1 47 47 ASP CA C 47 53.910 53.910 53.886 0.024 18720 6179 1 15 . 1 1 47 47 ASP CB C 47 39.870 39.870 39.905 -0.035 18720 6180 1 15 . 1 1 48 48 VAL N N 48 118.730 118.730 121.067 -2.337 18720 6181 1 15 . 1 1 48 48 VAL C C 48 174.840 174.840 173.856 0.984 18720 6182 1 15 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.617 0.743 18720 6183 1 15 . 1 1 48 48 VAL CB C 48 32.390 32.390 32.203 0.187 18720 6184 1 15 . 1 1 49 49 GLU N N 49 127.180 127.180 128.589 -1.409 18720 6185 1 15 . 1 1 49 49 GLU C C 49 174.140 174.140 175.136 -0.996 18720 6186 1 15 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.036 0.194 18720 6187 1 15 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.598 0.272 18720 6188 1 15 . 1 1 50 50 GLY N N 50 110.640 110.640 112.011 -1.371 18720 6189 1 15 . 1 1 50 50 GLY C C 50 171.360 171.360 171.806 -0.446 18720 6190 1 15 . 1 1 50 50 GLY CA C 50 45.720 45.720 44.922 0.798 18720 6191 1 15 . 1 1 51 51 ALA N N 51 124.800 124.800 121.797 3.003 18720 6192 1 15 . 1 1 51 51 ALA C C 51 174.220 174.220 175.714 -1.494 18720 6193 1 15 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.235 1.435 18720 6194 1 15 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.708 -0.438 18720 6195 1 15 . 1 1 52 52 PHE N N 52 123.680 123.680 125.813 -2.133 18720 6196 1 15 . 1 1 52 52 PHE C C 52 173.650 173.650 173.289 0.361 18720 6197 1 15 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.005 -0.085 18720 6198 1 15 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.105 2.595 18720 6199 1 15 . 1 1 53 53 PHE N N 53 123.690 123.690 126.722 -3.032 18720 6200 1 15 . 1 1 53 53 PHE C C 53 174.760 174.760 174.053 0.707 18720 6201 1 15 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.308 1.212 18720 6202 1 15 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.325 0.095 18720 6203 1 15 . 1 1 54 54 ILE N N 54 119.970 119.970 121.437 -1.467 18720 6204 1 15 . 1 1 54 54 ILE C C 54 175.240 175.240 174.660 0.580 18720 6205 1 15 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.733 -1.243 18720 6206 1 15 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.360 -0.470 18720 6207 1 15 . 1 1 55 55 TYR N N 55 125.670 125.670 126.535 -0.865 18720 6208 1 15 . 1 1 55 55 TYR C C 55 170.980 170.980 175.170 -4.190 18720 6209 1 15 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.567 0.753 18720 6210 1 15 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.876 2.104 18720 6211 1 15 . 1 1 56 56 HIS N N 56 121.710 121.710 122.586 -0.876 18720 6212 1 15 . 1 1 56 56 HIS C C 56 175.000 175.000 173.696 1.304 18720 6213 1 15 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.732 -2.002 18720 6214 1 15 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.207 0.093 18720 6215 1 15 . 1 1 57 57 ARG N N 57 126.870 126.870 125.179 1.691 18720 6216 1 15 . 1 1 57 57 ARG C C 57 174.770 174.770 174.137 0.633 18720 6217 1 15 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.709 0.321 18720 6218 1 15 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.331 1.758 18720 6219 1 15 . 1 1 58 58 ASN N N 58 115.660 115.660 121.187 -5.527 18720 6220 1 15 . 1 1 58 58 ASN C C 58 173.540 173.540 174.086 -0.546 18720 6221 1 15 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.760 -0.989 18720 6222 1 15 . 1 1 58 58 ASN CB C 58 39.180 39.180 38.064 1.116 18720 6223 1 15 . 1 1 59 59 ALA N N 59 120.190 120.190 121.145 -0.955 18720 6224 1 15 . 1 1 59 59 ALA C C 59 173.000 173.000 174.805 -1.805 18720 6225 1 15 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.760 -0.420 18720 6226 1 15 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.045 0.835 18720 6227 1 15 . 1 1 60 60 GLU N N 60 117.270 117.270 119.585 -2.315 18720 6228 1 15 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.067 0.443 18720 6229 1 15 . 1 1 60 60 GLU CB C 60 29.670 29.670 30.196 -0.526 18720 6230 1 15 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.495 -0.434 18720 6231 1 15 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.399 1.231 18720 6232 1 15 . 1 1 62 62 PHE N N 62 120.680 120.680 119.153 1.527 18720 6233 1 15 . 1 1 62 62 PHE C C 62 174.840 174.840 175.514 -0.674 18720 6234 1 15 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.647 -0.867 18720 6235 1 15 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.648 -0.428 18720 6236 1 15 . 1 1 63 63 HIS N N 63 115.820 115.820 112.387 3.433 18720 6237 1 15 . 1 1 63 63 HIS C C 63 174.540 174.540 173.928 0.612 18720 6238 1 15 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.675 0.316 18720 6239 1 15 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.874 0.456 18720 6240 1 15 . 1 1 64 64 SER N N 64 114.040 114.040 116.102 -2.062 18720 6241 1 15 . 1 1 64 64 SER C C 64 169.620 169.620 172.369 -2.749 18720 6242 1 15 . 1 1 64 64 SER CA C 64 55.980 55.980 58.045 -2.065 18720 6243 1 15 . 1 1 64 64 SER CB C 64 66.770 66.770 65.711 1.059 18720 6244 1 15 . 1 1 65 65 ILE N N 65 125.090 125.090 123.298 1.792 18720 6245 1 15 . 1 1 65 65 ILE C C 65 174.630 174.630 173.825 0.805 18720 6246 1 15 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.468 -0.248 18720 6247 1 15 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.885 -0.295 18720 6248 1 15 . 1 1 66 66 PHE N N 66 127.730 127.730 126.450 1.280 18720 6249 1 15 . 1 1 66 66 PHE C C 66 174.680 174.680 173.053 1.627 18720 6250 1 15 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.754 -0.454 18720 6251 1 15 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.566 1.464 18720 6252 1 15 . 1 1 67 67 ILE N N 67 124.780 124.780 124.553 0.227 18720 6253 1 15 . 1 1 67 67 ILE C C 67 174.180 174.180 173.825 0.355 18720 6254 1 15 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.573 0.097 18720 6255 1 15 . 1 1 67 67 ILE CB C 67 40.720 40.720 40.999 -0.279 18720 6256 1 15 . 1 1 68 68 ASN N N 68 124.620 124.620 125.014 -0.394 18720 6257 1 15 . 1 1 68 68 ASN C C 68 174.260 174.260 174.011 0.249 18720 6258 1 15 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.921 -0.851 18720 6259 1 15 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.536 -0.536 18720 6260 1 15 . 1 1 69 69 ASN N N 69 124.120 124.120 125.586 -1.466 18720 6261 1 15 . 1 1 69 69 ASN C C 69 175.740 175.740 175.715 0.025 18720 6262 1 15 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.941 0.259 18720 6263 1 15 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.901 0.619 18720 6264 1 15 . 1 1 70 70 ARG N N 70 123.310 123.310 127.981 -4.671 18720 6265 1 15 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.822 -1.862 18720 6266 1 15 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.565 0.495 18720 6267 1 15 . 1 1 73 73 THR C C 73 175.310 175.310 173.502 1.808 18720 6268 1 15 . 1 1 73 73 THR CA C 73 62.320 62.320 63.776 -1.456 18720 6269 1 15 . 1 1 73 73 THR CB C 73 69.070 69.070 66.363 2.707 18720 6270 1 15 . 1 1 74 74 THR N N 74 119.010 119.010 117.151 1.859 18720 6271 1 15 . 1 1 74 74 THR C C 74 173.810 173.810 173.542 0.268 18720 6272 1 15 . 1 1 74 74 THR CA C 74 62.700 62.700 61.692 1.008 18720 6273 1 15 . 1 1 74 74 THR CB C 74 69.750 69.750 72.424 -2.674 18720 6274 1 15 . 1 1 75 75 SER N N 75 120.750 120.750 120.066 0.684 18720 6275 1 15 . 1 1 75 75 SER C C 75 172.250 172.250 173.582 -1.332 18720 6276 1 15 . 1 1 75 75 SER CA C 75 58.300 58.300 57.961 0.339 18720 6277 1 15 . 1 1 75 75 SER CB C 75 65.290 65.290 64.192 1.097 18720 6278 1 15 . 1 1 76 76 PHE N N 76 122.090 122.090 126.531 -4.441 18720 6279 1 15 . 1 1 76 76 PHE C C 76 172.040 172.040 172.894 -0.854 18720 6280 1 15 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.302 0.478 18720 6281 1 15 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.483 0.817 18720 6282 1 15 . 1 1 77 77 VAL N N 77 124.490 124.490 126.038 -1.548 18720 6283 1 15 . 1 1 77 77 VAL C C 77 174.390 174.390 173.763 0.627 18720 6284 1 15 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.721 0.019 18720 6285 1 15 . 1 1 77 77 VAL CB C 77 35.610 35.610 34.802 0.808 18720 6286 1 15 . 1 1 78 78 GLU N N 78 125.760 125.760 127.220 -1.460 18720 6287 1 15 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.806 -0.686 18720 6288 1 15 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.533 0.257 18720 6289 1 15 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.440 0.330 18720 6290 1 15 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.721 -0.161 18720 6291 1 15 . 1 1 80 80 ILE N N 80 123.190 123.190 123.968 -0.778 18720 6292 1 15 . 1 1 80 80 ILE C C 80 174.250 174.250 175.982 -1.732 18720 6293 1 15 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.474 -0.054 18720 6294 1 15 . 1 1 80 80 ILE CB C 80 36.640 36.640 37.661 -1.021 18720 6295 1 15 . 1 1 81 81 THR N N 81 115.840 115.840 120.246 -4.406 18720 6296 1 15 . 1 1 81 81 THR C C 81 174.140 174.140 175.776 -1.636 18720 6297 1 15 . 1 1 81 81 THR CA C 81 59.500 59.500 60.385 -0.885 18720 6298 1 15 . 1 1 81 81 THR CB C 81 71.030 71.030 70.627 0.403 18720 6299 1 15 . 1 1 82 82 GLY N N 82 128.890 128.890 108.820 20.070 18720 6300 1 15 . 1 1 82 82 GLY C C 82 176.630 176.630 174.616 2.014 18720 6301 1 15 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.151 1.269 18720 6302 1 15 . 1 1 83 83 SER N N 83 113.780 113.780 115.246 -1.466 18720 6303 1 15 . 1 1 83 83 SER C C 83 173.410 173.410 174.921 -1.511 18720 6304 1 15 . 1 1 83 83 SER CA C 83 57.840 57.840 58.203 -0.363 18720 6305 1 15 . 1 1 83 83 SER CB C 83 63.480 63.480 64.172 -0.692 18720 6306 1 15 . 1 1 84 84 LEU N N 84 123.770 123.770 124.253 -0.483 18720 6307 1 15 . 1 1 84 84 LEU C C 84 175.350 175.350 176.475 -1.125 18720 6308 1 15 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.118 1.012 18720 6309 1 15 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.357 0.333 18720 6310 1 15 . 1 1 85 85 GLU N N 85 124.380 124.380 124.720 -0.340 18720 6311 1 15 . 1 1 85 85 GLU C C 85 174.280 174.280 174.895 -0.615 18720 6312 1 15 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.323 -0.453 18720 6313 1 15 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.013 1.407 18720 6314 1 15 . 1 1 86 86 LEU N N 86 121.400 121.400 124.535 -3.135 18720 6315 1 15 . 1 1 86 86 LEU C C 86 177.240 177.240 176.866 0.374 18720 6316 1 15 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.732 0.758 18720 6317 1 15 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.550 1.570 18720 6318 1 15 . 1 1 87 87 GLN N N 87 121.690 121.690 119.354 2.336 18720 6319 1 15 . 1 1 87 87 GLN C C 87 173.460 173.460 174.065 -0.605 18720 6320 1 15 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.675 1.405 18720 6321 1 15 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.209 -1.439 18720 6322 1 15 . 1 1 88 88 SER N N 88 120.000 120.000 117.916 2.084 18720 6323 1 15 . 1 1 88 88 SER C C 88 174.930 174.930 173.733 1.197 18720 6324 1 15 . 1 1 88 88 SER CA C 88 57.540 57.540 57.859 -0.319 18720 6325 1 15 . 1 1 88 88 SER CB C 88 63.750 63.750 63.210 0.540 18720 6326 1 15 . 1 1 89 89 GLN N N 89 129.170 129.170 127.656 1.514 18720 6327 1 15 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.586 1.034 18720 6328 1 15 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.889 -0.389 18720 6329 1 15 . 1 1 93 93 LEU C C 93 173.810 173.810 174.376 -0.566 18720 6330 1 15 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.879 0.011 18720 6331 1 15 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.586 0.204 18720 6332 1 15 . 1 1 94 94 LEU N N 94 125.950 125.950 127.716 -1.766 18720 6333 1 15 . 1 1 94 94 LEU C C 94 175.680 175.680 174.274 1.406 18720 6334 1 15 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.797 1.173 18720 6335 1 15 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.247 -1.967 18720 6336 1 15 . 1 1 95 95 TYR N N 95 118.250 118.250 120.854 -2.604 18720 6337 1 15 . 1 1 95 95 TYR C C 95 171.830 171.830 173.308 -1.478 18720 6338 1 15 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.334 1.786 18720 6339 1 15 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.029 0.581 18720 6340 1 15 . 1 1 96 96 ARG N N 96 114.570 114.570 119.251 -4.681 18720 6341 1 15 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.867 -1.667 18720 6342 1 15 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.848 0.132 18720 6343 1 15 . 1 1 99 99 ARG C C 99 175.470 175.470 175.081 0.389 18720 6344 1 15 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.057 1.323 18720 6345 1 15 . 1 1 100 100 SER N N 100 110.460 110.460 109.478 0.982 18720 6346 1 15 . 1 1 100 100 SER C C 100 173.620 173.620 174.042 -0.422 18720 6347 1 15 . 1 1 100 100 SER CA C 100 59.570 59.570 59.510 0.060 18720 6348 1 15 . 1 1 100 100 SER CB C 100 62.640 62.640 62.346 0.294 18720 6349 1 15 . 1 1 101 101 ARG N N 101 119.500 119.500 119.189 0.311 18720 6350 1 15 . 1 1 101 101 ARG C C 101 174.900 174.900 174.771 0.129 18720 6351 1 15 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.262 0.248 18720 6352 1 15 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.584 -2.114 18720 6353 1 15 . 1 1 102 102 ILE N N 102 124.730 124.730 121.741 2.989 18720 6354 1 15 . 1 1 102 102 ILE C C 102 175.360 175.360 174.747 0.613 18720 6355 1 15 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.557 1.113 18720 6356 1 15 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.262 -0.532 18720 6357 1 15 . 1 1 103 103 ARG N N 103 130.770 130.770 125.152 5.618 18720 6358 1 15 . 1 1 103 103 ARG C C 103 173.480 173.480 174.381 -0.901 18720 6359 1 15 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.088 0.742 18720 6360 1 15 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.672 1.618 18720 6361 1 15 . 1 1 104 104 GLY N N 104 128.260 128.260 107.546 20.714 18720 6362 1 15 . 1 1 104 104 GLY C C 104 170.890 170.890 171.468 -0.578 18720 6363 1 15 . 1 1 104 104 GLY CA C 104 46.440 46.440 43.926 2.514 18720 6364 1 15 . 1 1 105 105 PHE N N 105 118.120 118.120 117.189 0.931 18720 6365 1 15 . 1 1 105 105 PHE C C 105 173.920 173.920 173.735 0.185 18720 6366 1 15 . 1 1 105 105 PHE CA C 105 54.660 54.660 55.314 -0.654 18720 6367 1 15 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.199 0.021 18720 6368 1 15 . 1 1 106 106 TRP N N 106 124.290 124.290 123.671 0.619 18720 6369 1 15 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.796 -0.386 18720 6370 1 15 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.299 -0.419 18720 6371 1 15 . 1 1 110 110 SER C C 110 175.240 175.240 175.753 -0.513 18720 6372 1 15 . 1 1 110 110 SER CA C 110 62.920 62.920 61.774 1.146 18720 6373 1 15 . 1 1 110 110 SER CB C 110 64.980 64.980 63.345 1.635 18720 6374 1 15 . 1 1 111 111 GLU N N 111 122.310 122.310 119.913 2.397 18720 6375 1 15 . 1 1 111 111 GLU C C 111 179.150 179.150 178.629 0.521 18720 6376 1 15 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.179 0.361 18720 6377 1 15 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.384 -0.814 18720 6378 1 15 . 1 1 112 112 GLU N N 112 118.920 118.920 120.198 -1.278 18720 6379 1 15 . 1 1 112 112 GLU C C 112 176.360 176.360 178.117 -1.757 18720 6380 1 15 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.483 -1.403 18720 6381 1 15 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.467 0.773 18720 6382 1 15 . 1 1 113 113 CYS N N 113 117.090 117.090 117.280 -0.190 18720 6383 1 15 . 1 1 113 113 CYS C C 113 176.110 176.110 176.246 -0.136 18720 6384 1 15 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.286 -0.786 18720 6385 1 15 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.531 0.269 18720 6386 1 15 . 1 1 114 114 ASP N N 114 118.820 118.820 120.158 -1.338 18720 6387 1 15 . 1 1 114 114 ASP C C 114 178.460 178.460 178.497 -0.037 18720 6388 1 15 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.556 -0.216 18720 6389 1 15 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.245 0.825 18720 6390 1 15 . 1 1 115 115 ARG N N 115 120.870 120.870 119.644 1.226 18720 6391 1 15 . 1 1 115 115 ARG C C 115 179.440 179.440 178.762 0.678 18720 6392 1 15 . 1 1 115 115 ARG CA C 115 59.650 59.650 58.969 0.681 18720 6393 1 15 . 1 1 115 115 ARG CB C 115 30.700 30.700 29.728 0.972 18720 6394 1 15 . 1 1 116 116 ILE N N 116 119.500 119.500 120.661 -1.161 18720 6395 1 15 . 1 1 116 116 ILE C C 116 177.680 177.680 178.004 -0.324 18720 6396 1 15 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.237 -1.297 18720 6397 1 15 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.590 -1.869 18720 6398 1 15 . 1 1 117 117 SER N N 117 115.890 115.890 116.152 -0.262 18720 6399 1 15 . 1 1 117 117 SER C C 117 176.720 176.720 177.077 -0.357 18720 6400 1 15 . 1 1 117 117 SER CA C 117 62.630 62.630 62.416 0.214 18720 6401 1 15 . 1 1 117 117 SER CB C 117 62.660 62.660 62.908 -0.248 18720 6402 1 15 . 1 1 118 118 GLY N N 118 130.780 130.780 110.008 20.772 18720 6403 1 15 . 1 1 118 118 GLY C C 118 176.570 176.570 175.712 0.858 18720 6404 1 15 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.068 0.022 18720 6405 1 15 . 1 1 119 119 LEU N N 119 124.450 124.450 122.758 1.692 18720 6406 1 15 . 1 1 119 119 LEU C C 119 179.470 179.470 178.930 0.540 18720 6407 1 15 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.857 -0.047 18720 6408 1 15 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.866 0.444 18720 6409 1 15 . 1 1 120 120 VAL N N 120 119.140 119.140 119.265 -0.125 18720 6410 1 15 . 1 1 120 120 VAL C C 120 177.380 177.380 177.984 -0.604 18720 6411 1 15 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.814 0.616 18720 6412 1 15 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.429 -0.559 18720 6413 1 15 . 1 1 121 121 ASN N N 121 116.650 116.650 118.567 -1.917 18720 6414 1 15 . 1 1 121 121 ASN C C 121 178.330 178.330 177.785 0.545 18720 6415 1 15 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.919 -0.249 18720 6416 1 15 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.728 0.832 18720 6417 1 15 . 1 1 122 122 GLY N N 122 129.450 129.450 108.491 20.959 18720 6418 1 15 . 1 1 122 122 GLY C C 122 176.190 176.190 176.033 0.157 18720 6419 1 15 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.942 -0.162 18720 6420 1 15 . 1 1 123 123 LEU N N 123 121.510 121.510 121.970 -0.460 18720 6421 1 15 . 1 1 123 123 LEU C C 123 179.060 179.060 178.322 0.738 18720 6422 1 15 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.254 -0.864 18720 6423 1 15 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.807 -0.217 18720 6424 1 15 . 1 1 124 124 LEU N N 124 119.080 119.080 116.227 2.853 18720 6425 1 15 . 1 1 124 124 LEU C C 124 177.880 177.880 178.796 -0.916 18720 6426 1 15 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.087 -0.807 18720 6427 1 15 . 1 1 124 124 LEU CB C 124 42.300 42.300 42.049 0.251 18720 6428 1 15 . 1 1 125 125 LYS N N 125 118.600 118.600 116.327 2.273 18720 6429 1 15 . 1 1 125 125 LYS C C 125 176.540 176.540 177.314 -0.774 18720 6430 1 15 . 1 1 125 125 LYS CA C 125 56.470 56.470 57.495 -1.026 18720 6431 1 15 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.790 -0.060 18720 6432 1 15 . 1 1 126 126 SER N N 126 116.570 116.570 116.935 -0.365 18720 6433 1 15 . 1 1 126 126 SER C C 126 173.590 173.590 173.101 0.489 18720 6434 1 15 . 1 1 126 126 SER CA C 126 58.550 58.550 58.047 0.503 18720 6435 1 15 . 1 1 126 126 SER CB C 126 63.880 63.880 64.658 -0.778 18720 6436 1 16 . 1 1 2 2 ALA N N 2 123.960 123.960 123.633 0.327 18720 6437 1 16 . 1 1 2 2 ALA C C 2 177.620 177.620 176.351 1.269 18720 6438 1 16 . 1 1 2 2 ALA CA C 2 52.910 52.910 52.096 0.814 18720 6439 1 16 . 1 1 2 2 ALA CB C 2 19.050 19.050 19.485 -0.435 18720 6440 1 16 . 1 1 3 3 ASP N N 3 119.570 119.570 120.511 -0.941 18720 6441 1 16 . 1 1 3 3 ASP C C 3 177.150 177.150 176.104 1.046 18720 6442 1 16 . 1 1 3 3 ASP CA C 3 54.800 54.800 52.958 1.842 18720 6443 1 16 . 1 1 3 3 ASP CB C 3 41.610 41.610 43.001 -1.391 18720 6444 1 16 . 1 1 4 4 GLU N N 4 123.110 123.110 122.333 0.777 18720 6445 1 16 . 1 1 4 4 GLU C C 4 177.710 177.710 177.885 -0.175 18720 6446 1 16 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.430 -1.040 18720 6447 1 16 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.936 -0.136 18720 6448 1 16 . 1 1 5 5 SER N N 5 116.020 116.020 114.633 1.387 18720 6449 1 16 . 1 1 5 5 SER CA C 5 60.870 60.870 61.203 -0.333 18720 6450 1 16 . 1 1 5 5 SER CB C 5 62.940 62.940 62.933 0.007 18720 6451 1 16 . 1 1 6 6 ILE N N 6 123.790 123.790 122.080 1.710 18720 6452 1 16 . 1 1 6 6 ILE C C 6 178.180 178.180 177.930 0.250 18720 6453 1 16 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.150 0.520 18720 6454 1 16 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.490 1.169 18720 6455 1 16 . 1 1 7 7 THR N N 7 117.450 117.450 116.222 1.228 18720 6456 1 16 . 1 1 7 7 THR C C 7 176.030 176.030 176.404 -0.374 18720 6457 1 16 . 1 1 7 7 THR CA C 7 66.370 66.370 66.963 -0.593 18720 6458 1 16 . 1 1 7 7 THR CB C 7 68.640 68.640 68.346 0.294 18720 6459 1 16 . 1 1 8 8 ARG N N 8 120.770 120.770 121.793 -1.023 18720 6460 1 16 . 1 1 8 8 ARG C C 8 179.040 179.040 178.496 0.544 18720 6461 1 16 . 1 1 8 8 ARG CA C 8 59.390 59.390 58.905 0.485 18720 6462 1 16 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.398 0.592 18720 6463 1 16 . 1 1 9 9 MET N N 9 119.840 119.840 120.169 -0.329 18720 6464 1 16 . 1 1 9 9 MET C C 9 178.760 178.760 177.908 0.852 18720 6465 1 16 . 1 1 9 9 MET CA C 9 58.240 58.240 59.218 -0.978 18720 6466 1 16 . 1 1 9 9 MET CB C 9 31.970 31.970 32.517 -0.547 18720 6467 1 16 . 1 1 10 10 ASN N N 10 120.190 120.190 118.450 1.740 18720 6468 1 16 . 1 1 10 10 ASN C C 10 176.660 176.660 177.717 -1.057 18720 6469 1 16 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.457 -0.817 18720 6470 1 16 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.738 -0.428 18720 6471 1 16 . 1 1 11 11 LEU N N 11 121.490 121.490 120.954 0.536 18720 6472 1 16 . 1 1 11 11 LEU C C 11 177.690 177.690 177.846 -0.156 18720 6473 1 16 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.787 -0.397 18720 6474 1 16 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.554 -0.575 18720 6475 1 16 . 1 1 12 12 ALA N N 12 120.380 120.380 121.631 -1.251 18720 6476 1 16 . 1 1 12 12 ALA C C 12 179.910 179.910 179.466 0.444 18720 6477 1 16 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.105 -0.215 18720 6478 1 16 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.926 -0.366 18720 6479 1 16 . 1 1 13 13 ALA N N 13 119.960 119.960 121.061 -1.101 18720 6480 1 16 . 1 1 13 13 ALA C C 13 179.740 179.740 179.994 -0.254 18720 6481 1 16 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.631 0.199 18720 6482 1 16 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.248 -0.728 18720 6483 1 16 . 1 1 14 14 ILE N N 14 118.040 118.040 119.886 -1.846 18720 6484 1 16 . 1 1 14 14 ILE C C 14 178.220 178.220 177.749 0.471 18720 6485 1 16 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.129 -0.769 18720 6486 1 16 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.317 -0.177 18720 6487 1 16 . 1 1 15 15 LYS N N 15 118.740 118.740 117.375 1.365 18720 6488 1 16 . 1 1 15 15 LYS C C 15 177.440 177.440 178.221 -0.781 18720 6489 1 16 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.486 -0.666 18720 6490 1 16 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.855 1.035 18720 6491 1 16 . 1 1 16 16 LYS N N 16 115.750 115.750 118.841 -3.091 18720 6492 1 16 . 1 1 16 16 LYS C C 16 177.060 177.060 177.384 -0.324 18720 6493 1 16 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.734 -0.174 18720 6494 1 16 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.624 -0.034 18720 6495 1 16 . 1 1 17 17 ILE N N 17 115.830 115.830 115.611 0.219 18720 6496 1 16 . 1 1 17 17 ILE C C 17 175.500 175.500 175.942 -0.442 18720 6497 1 16 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.335 -0.895 18720 6498 1 16 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.406 -0.446 18720 6499 1 16 . 1 1 18 18 ASP N N 18 119.320 119.320 120.707 -1.387 18720 6500 1 16 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.333 -0.593 18720 6501 1 16 . 1 1 18 18 ASP CB C 18 40.710 40.710 40.950 -0.240 18720 6502 1 16 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.114 -0.514 18720 6503 1 16 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.703 0.307 18720 6504 1 16 . 1 1 20 20 TYR N N 20 115.540 115.540 113.476 2.064 18720 6505 1 16 . 1 1 20 20 TYR C C 20 175.350 175.350 174.636 0.714 18720 6506 1 16 . 1 1 20 20 TYR CA C 20 57.810 57.810 55.180 2.630 18720 6507 1 16 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.959 0.181 18720 6508 1 16 . 1 1 21 21 ALA N N 21 122.720 122.720 122.854 -0.134 18720 6509 1 16 . 1 1 21 21 ALA C C 21 175.410 175.410 176.063 -0.653 18720 6510 1 16 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.561 2.769 18720 6511 1 16 . 1 1 21 21 ALA CB C 21 20.690 20.690 18.697 1.993 18720 6512 1 16 . 1 1 22 22 LYS N N 22 121.370 121.370 125.120 -3.750 18720 6513 1 16 . 1 1 22 22 LYS C C 22 175.400 175.400 176.428 -1.028 18720 6514 1 16 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.935 -0.115 18720 6515 1 16 . 1 1 22 22 LYS CB C 22 35.860 35.860 33.871 1.989 18720 6516 1 16 . 1 1 23 23 GLU N N 23 113.820 113.820 116.941 -3.121 18720 6517 1 16 . 1 1 23 23 GLU C C 23 174.470 174.470 174.646 -0.176 18720 6518 1 16 . 1 1 23 23 GLU CA C 23 55.330 55.330 54.935 0.395 18720 6519 1 16 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.995 0.045 18720 6520 1 16 . 1 1 24 24 ILE N N 24 125.650 125.650 122.145 3.505 18720 6521 1 16 . 1 1 24 24 ILE C C 24 175.360 175.360 176.371 -1.011 18720 6522 1 16 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.606 1.164 18720 6523 1 16 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.291 -0.681 18720 6524 1 16 . 1 1 25 25 VAL N N 25 127.290 127.290 126.910 0.380 18720 6525 1 16 . 1 1 25 25 VAL C C 25 175.240 175.240 175.948 -0.708 18720 6526 1 16 . 1 1 25 25 VAL CA C 25 63.620 63.620 63.803 -0.184 18720 6527 1 16 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.638 0.702 18720 6528 1 16 . 1 1 26 26 ASP N N 26 117.410 117.410 117.197 0.213 18720 6529 1 16 . 1 1 26 26 ASP C C 26 174.000 174.000 173.990 0.010 18720 6530 1 16 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.481 -0.451 18720 6531 1 16 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.351 0.359 18720 6532 1 16 . 1 1 27 27 SER N N 27 115.600 115.600 117.387 -1.787 18720 6533 1 16 . 1 1 27 27 SER C C 27 172.420 172.420 172.976 -0.556 18720 6534 1 16 . 1 1 27 27 SER CA C 27 57.200 57.200 56.909 0.291 18720 6535 1 16 . 1 1 27 27 SER CB C 27 67.230 67.230 65.949 1.281 18720 6536 1 16 . 1 1 28 28 SER N N 28 113.820 113.820 119.841 -6.021 18720 6537 1 16 . 1 1 28 28 SER C C 28 176.140 176.140 175.062 1.078 18720 6538 1 16 . 1 1 28 28 SER CA C 28 57.840 57.840 56.164 1.675 18720 6539 1 16 . 1 1 28 28 SER CB C 28 65.830 65.830 65.070 0.760 18720 6540 1 16 . 1 1 29 29 SER N N 29 121.670 121.670 123.358 -1.688 18720 6541 1 16 . 1 1 29 29 SER CA C 29 61.900 61.900 61.209 0.691 18720 6542 1 16 . 1 1 29 29 SER CB C 29 63.720 63.720 63.456 0.264 18720 6543 1 16 . 1 1 30 30 HIS CA C 30 56.630 56.630 55.830 0.801 18720 6544 1 16 . 1 1 31 31 VAL N N 31 127.450 127.450 125.799 1.651 18720 6545 1 16 . 1 1 31 31 VAL C C 31 173.480 173.480 173.378 0.102 18720 6546 1 16 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.880 -0.550 18720 6547 1 16 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.386 0.154 18720 6548 1 16 . 1 1 32 32 ALA N N 32 125.580 125.580 127.343 -1.763 18720 6549 1 16 . 1 1 32 32 ALA C C 32 175.260 175.260 175.147 0.113 18720 6550 1 16 . 1 1 32 32 ALA CA C 32 50.810 50.810 50.027 0.783 18720 6551 1 16 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.264 -0.244 18720 6552 1 16 . 1 1 33 33 PHE N N 33 123.530 123.530 122.789 0.741 18720 6553 1 16 . 1 1 33 33 PHE C C 33 174.210 174.210 173.503 0.707 18720 6554 1 16 . 1 1 33 33 PHE CA C 33 56.050 56.050 57.048 -0.998 18720 6555 1 16 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.992 -0.972 18720 6556 1 16 . 1 1 34 34 TYR N N 34 130.040 130.040 126.035 4.005 18720 6557 1 16 . 1 1 34 34 TYR C C 34 173.300 173.300 174.981 -1.681 18720 6558 1 16 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.966 0.534 18720 6559 1 16 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.769 1.381 18720 6560 1 16 . 1 1 35 35 THR N N 35 109.080 109.080 118.251 -9.171 18720 6561 1 16 . 1 1 35 35 THR C C 35 172.150 172.150 172.827 -0.677 18720 6562 1 16 . 1 1 35 35 THR CA C 35 59.670 59.670 61.552 -1.882 18720 6563 1 16 . 1 1 35 35 THR CB C 35 70.820 70.820 71.312 -0.492 18720 6564 1 16 . 1 1 36 36 PHE N N 36 126.090 126.090 125.798 0.292 18720 6565 1 16 . 1 1 36 36 PHE C C 36 173.570 173.570 173.590 -0.020 18720 6566 1 16 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.272 1.638 18720 6567 1 16 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.484 -2.714 18720 6568 1 16 . 1 1 37 37 ASN N N 37 128.500 128.500 125.497 3.003 18720 6569 1 16 . 1 1 37 37 ASN C C 37 175.280 175.280 174.843 0.437 18720 6570 1 16 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.433 0.097 18720 6571 1 16 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.296 -1.566 18720 6572 1 16 . 1 1 38 38 SER N N 38 121.880 121.880 121.371 0.509 18720 6573 1 16 . 1 1 38 38 SER CB C 38 63.050 63.050 63.543 -0.493 18720 6574 1 16 . 1 1 39 39 SER C C 39 175.410 175.410 175.944 -0.534 18720 6575 1 16 . 1 1 39 39 SER CA C 39 61.020 61.020 60.996 0.024 18720 6576 1 16 . 1 1 39 39 SER CB C 39 62.700 62.700 63.263 -0.563 18720 6577 1 16 . 1 1 40 40 GLN N N 40 117.370 117.370 118.294 -0.924 18720 6578 1 16 . 1 1 40 40 GLN C C 40 174.910 174.910 175.557 -0.647 18720 6579 1 16 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.293 -0.493 18720 6580 1 16 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.276 0.534 18720 6581 1 16 . 1 1 41 41 ASN N N 41 118.400 118.400 116.638 1.762 18720 6582 1 16 . 1 1 41 41 ASN C C 41 173.240 173.240 173.594 -0.354 18720 6583 1 16 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.241 -0.041 18720 6584 1 16 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.907 -0.267 18720 6585 1 16 . 1 1 42 42 GLU N N 42 112.910 112.910 116.867 -3.957 18720 6586 1 16 . 1 1 42 42 GLU C C 42 174.620 174.620 174.352 0.268 18720 6587 1 16 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.991 -0.881 18720 6588 1 16 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.464 0.986 18720 6589 1 16 . 1 1 43 43 TRP N N 43 123.140 123.140 120.785 2.355 18720 6590 1 16 . 1 1 43 43 TRP C C 43 175.850 175.850 176.941 -1.091 18720 6591 1 16 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.128 0.512 18720 6592 1 16 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.905 0.705 18720 6593 1 16 . 1 1 44 44 GLU N N 44 120.660 120.660 122.683 -2.023 18720 6594 1 16 . 1 1 44 44 GLU C C 44 175.030 175.030 175.480 -0.450 18720 6595 1 16 . 1 1 44 44 GLU CA C 44 55.120 55.120 55.062 0.058 18720 6596 1 16 . 1 1 44 44 GLU CB C 44 32.110 32.110 33.066 -0.956 18720 6597 1 16 . 1 1 45 45 LYS N N 45 123.100 123.100 126.881 -3.781 18720 6598 1 16 . 1 1 45 45 LYS C C 45 176.810 176.810 176.588 0.222 18720 6599 1 16 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.738 0.222 18720 6600 1 16 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.864 0.476 18720 6601 1 16 . 1 1 46 46 THR N N 46 114.570 114.570 118.533 -3.963 18720 6602 1 16 . 1 1 46 46 THR C C 46 174.130 174.130 174.621 -0.491 18720 6603 1 16 . 1 1 46 46 THR CA C 46 61.720 61.720 60.893 0.827 18720 6604 1 16 . 1 1 46 46 THR CB C 46 71.720 71.720 69.704 2.016 18720 6605 1 16 . 1 1 47 47 ASP N N 47 118.590 118.590 120.091 -1.501 18720 6606 1 16 . 1 1 47 47 ASP C C 47 174.390 174.390 175.193 -0.803 18720 6607 1 16 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.529 -0.619 18720 6608 1 16 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.269 -0.399 18720 6609 1 16 . 1 1 48 48 VAL N N 48 118.730 118.730 121.024 -2.294 18720 6610 1 16 . 1 1 48 48 VAL C C 48 174.840 174.840 173.946 0.894 18720 6611 1 16 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.545 0.815 18720 6612 1 16 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.965 0.425 18720 6613 1 16 . 1 1 49 49 GLU N N 49 127.180 127.180 128.908 -1.728 18720 6614 1 16 . 1 1 49 49 GLU C C 49 174.140 174.140 174.938 -0.798 18720 6615 1 16 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.123 0.107 18720 6616 1 16 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.285 0.585 18720 6617 1 16 . 1 1 50 50 GLY N N 50 110.640 110.640 112.064 -1.424 18720 6618 1 16 . 1 1 50 50 GLY C C 50 171.360 171.360 171.911 -0.551 18720 6619 1 16 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.018 0.702 18720 6620 1 16 . 1 1 51 51 ALA N N 51 124.800 124.800 121.703 3.097 18720 6621 1 16 . 1 1 51 51 ALA C C 51 174.220 174.220 175.696 -1.476 18720 6622 1 16 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.234 1.435 18720 6623 1 16 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.463 -0.193 18720 6624 1 16 . 1 1 52 52 PHE N N 52 123.680 123.680 125.679 -1.999 18720 6625 1 16 . 1 1 52 52 PHE C C 52 173.650 173.650 173.331 0.319 18720 6626 1 16 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.169 -0.249 18720 6627 1 16 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.372 2.328 18720 6628 1 16 . 1 1 53 53 PHE N N 53 123.690 123.690 126.387 -2.697 18720 6629 1 16 . 1 1 53 53 PHE C C 53 174.760 174.760 174.069 0.691 18720 6630 1 16 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.474 1.046 18720 6631 1 16 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.514 -0.094 18720 6632 1 16 . 1 1 54 54 ILE N N 54 119.970 119.970 121.368 -1.398 18720 6633 1 16 . 1 1 54 54 ILE C C 54 175.240 175.240 174.714 0.526 18720 6634 1 16 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.794 -1.304 18720 6635 1 16 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.402 -0.512 18720 6636 1 16 . 1 1 55 55 TYR N N 55 125.670 125.670 126.624 -0.954 18720 6637 1 16 . 1 1 55 55 TYR C C 55 170.980 170.980 174.969 -3.989 18720 6638 1 16 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.558 0.762 18720 6639 1 16 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.863 2.117 18720 6640 1 16 . 1 1 56 56 HIS N N 56 121.710 121.710 122.636 -0.926 18720 6641 1 16 . 1 1 56 56 HIS C C 56 175.000 175.000 173.446 1.554 18720 6642 1 16 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.542 -1.812 18720 6643 1 16 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.495 -0.195 18720 6644 1 16 . 1 1 57 57 ARG N N 57 126.870 126.870 124.956 1.914 18720 6645 1 16 . 1 1 57 57 ARG C C 57 174.770 174.770 174.164 0.606 18720 6646 1 16 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.962 0.067 18720 6647 1 16 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.500 1.590 18720 6648 1 16 . 1 1 58 58 ASN N N 58 115.660 115.660 121.062 -5.402 18720 6649 1 16 . 1 1 58 58 ASN C C 58 173.540 173.540 174.030 -0.490 18720 6650 1 16 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.790 -1.020 18720 6651 1 16 . 1 1 58 58 ASN CB C 58 39.180 39.180 38.115 1.065 18720 6652 1 16 . 1 1 59 59 ALA N N 59 120.190 120.190 121.304 -1.114 18720 6653 1 16 . 1 1 59 59 ALA C C 59 173.000 173.000 174.922 -1.922 18720 6654 1 16 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.885 -0.544 18720 6655 1 16 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.279 0.601 18720 6656 1 16 . 1 1 60 60 GLU N N 60 117.270 117.270 119.732 -2.462 18720 6657 1 16 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.072 0.438 18720 6658 1 16 . 1 1 60 60 GLU CB C 60 29.670 29.670 30.213 -0.543 18720 6659 1 16 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.580 -0.520 18720 6660 1 16 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.345 1.285 18720 6661 1 16 . 1 1 62 62 PHE N N 62 120.680 120.680 119.118 1.562 18720 6662 1 16 . 1 1 62 62 PHE C C 62 174.840 174.840 175.552 -0.712 18720 6663 1 16 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.679 -0.899 18720 6664 1 16 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.779 -0.559 18720 6665 1 16 . 1 1 63 63 HIS N N 63 115.820 115.820 112.738 3.082 18720 6666 1 16 . 1 1 63 63 HIS C C 63 174.540 174.540 173.935 0.605 18720 6667 1 16 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.554 0.436 18720 6668 1 16 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.753 0.577 18720 6669 1 16 . 1 1 64 64 SER N N 64 114.040 114.040 116.433 -2.393 18720 6670 1 16 . 1 1 64 64 SER C C 64 169.620 169.620 172.152 -2.532 18720 6671 1 16 . 1 1 64 64 SER CA C 64 55.980 55.980 57.763 -1.783 18720 6672 1 16 . 1 1 64 64 SER CB C 64 66.770 66.770 65.657 1.113 18720 6673 1 16 . 1 1 65 65 ILE N N 65 125.090 125.090 122.791 2.299 18720 6674 1 16 . 1 1 65 65 ILE C C 65 174.630 174.630 173.818 0.812 18720 6675 1 16 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.479 -0.259 18720 6676 1 16 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.586 0.004 18720 6677 1 16 . 1 1 66 66 PHE N N 66 127.730 127.730 126.722 1.008 18720 6678 1 16 . 1 1 66 66 PHE C C 66 174.680 174.680 172.961 1.719 18720 6679 1 16 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.651 -0.351 18720 6680 1 16 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.256 1.774 18720 6681 1 16 . 1 1 67 67 ILE N N 67 124.780 124.780 124.283 0.497 18720 6682 1 16 . 1 1 67 67 ILE C C 67 174.180 174.180 173.609 0.571 18720 6683 1 16 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.505 0.164 18720 6684 1 16 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.423 -0.703 18720 6685 1 16 . 1 1 68 68 ASN N N 68 124.620 124.620 124.522 0.098 18720 6686 1 16 . 1 1 68 68 ASN C C 68 174.260 174.260 173.987 0.273 18720 6687 1 16 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.808 -0.738 18720 6688 1 16 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.526 -0.526 18720 6689 1 16 . 1 1 69 69 ASN N N 69 124.120 124.120 125.479 -1.359 18720 6690 1 16 . 1 1 69 69 ASN C C 69 175.740 175.740 175.714 0.026 18720 6691 1 16 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.944 0.256 18720 6692 1 16 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.944 0.576 18720 6693 1 16 . 1 1 70 70 ARG N N 70 123.310 123.310 128.021 -4.711 18720 6694 1 16 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.774 -1.814 18720 6695 1 16 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.577 0.483 18720 6696 1 16 . 1 1 73 73 THR C C 73 175.310 175.310 173.191 2.119 18720 6697 1 16 . 1 1 73 73 THR CA C 73 62.320 62.320 63.966 -1.646 18720 6698 1 16 . 1 1 73 73 THR CB C 73 69.070 69.070 66.733 2.337 18720 6699 1 16 . 1 1 74 74 THR N N 74 119.010 119.010 116.377 2.633 18720 6700 1 16 . 1 1 74 74 THR C C 74 173.810 173.810 173.029 0.781 18720 6701 1 16 . 1 1 74 74 THR CA C 74 62.700 62.700 61.220 1.480 18720 6702 1 16 . 1 1 74 74 THR CB C 74 69.750 69.750 72.087 -2.337 18720 6703 1 16 . 1 1 75 75 SER N N 75 120.750 120.750 118.057 2.693 18720 6704 1 16 . 1 1 75 75 SER C C 75 172.250 172.250 173.283 -1.033 18720 6705 1 16 . 1 1 75 75 SER CA C 75 58.300 58.300 57.498 0.802 18720 6706 1 16 . 1 1 75 75 SER CB C 75 65.290 65.290 64.963 0.327 18720 6707 1 16 . 1 1 76 76 PHE N N 76 122.090 122.090 124.819 -2.729 18720 6708 1 16 . 1 1 76 76 PHE C C 76 172.040 172.040 172.726 -0.686 18720 6709 1 16 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.711 0.069 18720 6710 1 16 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.300 1.000 18720 6711 1 16 . 1 1 77 77 VAL N N 77 124.490 124.490 126.405 -1.915 18720 6712 1 16 . 1 1 77 77 VAL C C 77 174.390 174.390 173.437 0.953 18720 6713 1 16 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.560 0.180 18720 6714 1 16 . 1 1 77 77 VAL CB C 77 35.610 35.610 34.740 0.870 18720 6715 1 16 . 1 1 78 78 GLU N N 78 125.760 125.760 126.810 -1.050 18720 6716 1 16 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.564 -0.444 18720 6717 1 16 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.484 0.306 18720 6718 1 16 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.504 0.266 18720 6719 1 16 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.663 -0.103 18720 6720 1 16 . 1 1 80 80 ILE N N 80 123.190 123.190 122.498 0.692 18720 6721 1 16 . 1 1 80 80 ILE C C 80 174.250 174.250 176.075 -1.825 18720 6722 1 16 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.805 -0.385 18720 6723 1 16 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.476 -1.836 18720 6724 1 16 . 1 1 81 81 THR N N 81 115.840 115.840 116.835 -0.995 18720 6725 1 16 . 1 1 81 81 THR C C 81 174.140 174.140 175.206 -1.066 18720 6726 1 16 . 1 1 81 81 THR CA C 81 59.500 59.500 60.243 -0.744 18720 6727 1 16 . 1 1 81 81 THR CB C 81 71.030 71.030 71.599 -0.569 18720 6728 1 16 . 1 1 82 82 GLY N N 82 128.890 128.890 109.438 19.452 18720 6729 1 16 . 1 1 82 82 GLY C C 82 176.630 176.630 174.309 2.321 18720 6730 1 16 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.222 1.198 18720 6731 1 16 . 1 1 83 83 SER N N 83 113.780 113.780 116.458 -2.678 18720 6732 1 16 . 1 1 83 83 SER C C 83 173.410 173.410 174.626 -1.216 18720 6733 1 16 . 1 1 83 83 SER CA C 83 57.840 57.840 58.127 -0.287 18720 6734 1 16 . 1 1 83 83 SER CB C 83 63.480 63.480 64.231 -0.751 18720 6735 1 16 . 1 1 84 84 LEU N N 84 123.770 123.770 123.882 -0.112 18720 6736 1 16 . 1 1 84 84 LEU C C 84 175.350 175.350 176.213 -0.863 18720 6737 1 16 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.182 0.948 18720 6738 1 16 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.536 0.154 18720 6739 1 16 . 1 1 85 85 GLU N N 85 124.380 124.380 123.358 1.022 18720 6740 1 16 . 1 1 85 85 GLU C C 85 174.280 174.280 174.851 -0.571 18720 6741 1 16 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.326 -0.456 18720 6742 1 16 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.167 1.253 18720 6743 1 16 . 1 1 86 86 LEU N N 86 121.400 121.400 124.591 -3.191 18720 6744 1 16 . 1 1 86 86 LEU C C 86 177.240 177.240 176.835 0.405 18720 6745 1 16 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.779 0.711 18720 6746 1 16 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.595 1.525 18720 6747 1 16 . 1 1 87 87 GLN N N 87 121.690 121.690 119.467 2.223 18720 6748 1 16 . 1 1 87 87 GLN C C 87 173.460 173.460 173.984 -0.524 18720 6749 1 16 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.687 1.393 18720 6750 1 16 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.076 -1.306 18720 6751 1 16 . 1 1 88 88 SER N N 88 120.000 120.000 117.419 2.581 18720 6752 1 16 . 1 1 88 88 SER C C 88 174.930 174.930 173.704 1.226 18720 6753 1 16 . 1 1 88 88 SER CA C 88 57.540 57.540 57.421 0.119 18720 6754 1 16 . 1 1 88 88 SER CB C 88 63.750 63.750 62.984 0.766 18720 6755 1 16 . 1 1 89 89 GLN N N 89 129.170 129.170 127.061 2.109 18720 6756 1 16 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.478 1.142 18720 6757 1 16 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.671 -0.171 18720 6758 1 16 . 1 1 93 93 LEU C C 93 173.810 173.810 174.550 -0.740 18720 6759 1 16 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.931 -0.041 18720 6760 1 16 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.445 0.345 18720 6761 1 16 . 1 1 94 94 LEU N N 94 125.950 125.950 127.845 -1.895 18720 6762 1 16 . 1 1 94 94 LEU C C 94 175.680 175.680 174.376 1.304 18720 6763 1 16 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.950 1.020 18720 6764 1 16 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.263 -1.982 18720 6765 1 16 . 1 1 95 95 TYR N N 95 118.250 118.250 120.883 -2.633 18720 6766 1 16 . 1 1 95 95 TYR C C 95 171.830 171.830 173.288 -1.458 18720 6767 1 16 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.505 1.615 18720 6768 1 16 . 1 1 95 95 TYR CB C 95 41.610 41.610 40.964 0.646 18720 6769 1 16 . 1 1 96 96 ARG N N 96 114.570 114.570 119.226 -4.656 18720 6770 1 16 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.853 -1.653 18720 6771 1 16 . 1 1 96 96 ARG CB C 96 32.980 32.980 33.155 -0.175 18720 6772 1 16 . 1 1 99 99 ARG C C 99 175.470 175.470 175.542 -0.072 18720 6773 1 16 . 1 1 99 99 ARG CB C 99 29.380 29.380 29.410 -0.030 18720 6774 1 16 . 1 1 100 100 SER N N 100 110.460 110.460 111.807 -1.347 18720 6775 1 16 . 1 1 100 100 SER C C 100 173.620 173.620 173.582 0.038 18720 6776 1 16 . 1 1 100 100 SER CA C 100 59.570 59.570 59.803 -0.233 18720 6777 1 16 . 1 1 100 100 SER CB C 100 62.640 62.640 62.378 0.262 18720 6778 1 16 . 1 1 101 101 ARG N N 101 119.500 119.500 119.106 0.394 18720 6779 1 16 . 1 1 101 101 ARG C C 101 174.900 174.900 174.740 0.160 18720 6780 1 16 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.417 0.093 18720 6781 1 16 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.095 -1.625 18720 6782 1 16 . 1 1 102 102 ILE N N 102 124.730 124.730 121.746 2.984 18720 6783 1 16 . 1 1 102 102 ILE C C 102 175.360 175.360 174.695 0.665 18720 6784 1 16 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.574 1.097 18720 6785 1 16 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.318 -0.588 18720 6786 1 16 . 1 1 103 103 ARG N N 103 130.770 130.770 125.405 5.365 18720 6787 1 16 . 1 1 103 103 ARG C C 103 173.480 173.480 174.626 -1.146 18720 6788 1 16 . 1 1 103 103 ARG CA C 103 54.830 54.830 52.951 1.879 18720 6789 1 16 . 1 1 103 103 ARG CB C 103 36.290 36.290 33.854 2.436 18720 6790 1 16 . 1 1 104 104 GLY N N 104 128.260 128.260 107.374 20.886 18720 6791 1 16 . 1 1 104 104 GLY C C 104 170.890 170.890 171.427 -0.537 18720 6792 1 16 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.144 2.296 18720 6793 1 16 . 1 1 105 105 PHE N N 105 118.120 118.120 118.196 -0.076 18720 6794 1 16 . 1 1 105 105 PHE C C 105 173.920 173.920 173.579 0.341 18720 6795 1 16 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.203 -1.543 18720 6796 1 16 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.598 -0.378 18720 6797 1 16 . 1 1 106 106 TRP N N 106 124.290 124.290 124.628 -0.338 18720 6798 1 16 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.676 -0.266 18720 6799 1 16 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.317 -0.437 18720 6800 1 16 . 1 1 110 110 SER C C 110 175.240 175.240 176.032 -0.792 18720 6801 1 16 . 1 1 110 110 SER CA C 110 62.920 62.920 60.993 1.927 18720 6802 1 16 . 1 1 110 110 SER CB C 110 64.980 64.980 63.359 1.621 18720 6803 1 16 . 1 1 111 111 GLU N N 111 122.310 122.310 120.738 1.572 18720 6804 1 16 . 1 1 111 111 GLU C C 111 179.150 179.150 178.755 0.395 18720 6805 1 16 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.033 0.507 18720 6806 1 16 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.288 -0.718 18720 6807 1 16 . 1 1 112 112 GLU N N 112 118.920 118.920 120.152 -1.232 18720 6808 1 16 . 1 1 112 112 GLU C C 112 176.360 176.360 178.352 -1.992 18720 6809 1 16 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.014 -0.934 18720 6810 1 16 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.426 0.814 18720 6811 1 16 . 1 1 113 113 CYS N N 113 117.090 117.090 117.146 -0.056 18720 6812 1 16 . 1 1 113 113 CYS C C 113 176.110 176.110 176.164 -0.054 18720 6813 1 16 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.792 -1.292 18720 6814 1 16 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.907 -0.107 18720 6815 1 16 . 1 1 114 114 ASP N N 114 118.820 118.820 120.401 -1.581 18720 6816 1 16 . 1 1 114 114 ASP C C 114 178.460 178.460 178.796 -0.336 18720 6817 1 16 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.294 0.046 18720 6818 1 16 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.073 0.997 18720 6819 1 16 . 1 1 115 115 ARG N N 115 120.870 120.870 119.271 1.599 18720 6820 1 16 . 1 1 115 115 ARG C C 115 179.440 179.440 178.718 0.722 18720 6821 1 16 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.419 0.231 18720 6822 1 16 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.062 0.638 18720 6823 1 16 . 1 1 116 116 ILE N N 116 119.500 119.500 119.468 0.032 18720 6824 1 16 . 1 1 116 116 ILE C C 116 177.680 177.680 177.978 -0.298 18720 6825 1 16 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.673 -1.733 18720 6826 1 16 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.452 -1.732 18720 6827 1 16 . 1 1 117 117 SER N N 117 115.890 115.890 115.885 0.005 18720 6828 1 16 . 1 1 117 117 SER C C 117 176.720 176.720 176.863 -0.143 18720 6829 1 16 . 1 1 117 117 SER CA C 117 62.630 62.630 61.998 0.632 18720 6830 1 16 . 1 1 117 117 SER CB C 117 62.660 62.660 62.565 0.095 18720 6831 1 16 . 1 1 118 118 GLY N N 118 130.780 130.780 110.642 20.138 18720 6832 1 16 . 1 1 118 118 GLY C C 118 176.570 176.570 175.865 0.705 18720 6833 1 16 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.071 0.019 18720 6834 1 16 . 1 1 119 119 LEU N N 119 124.450 124.450 122.538 1.912 18720 6835 1 16 . 1 1 119 119 LEU C C 119 179.470 179.470 178.956 0.514 18720 6836 1 16 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.797 0.013 18720 6837 1 16 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.821 0.489 18720 6838 1 16 . 1 1 120 120 VAL N N 120 119.140 119.140 119.352 -0.212 18720 6839 1 16 . 1 1 120 120 VAL C C 120 177.380 177.380 177.957 -0.577 18720 6840 1 16 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.841 0.590 18720 6841 1 16 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.265 -0.394 18720 6842 1 16 . 1 1 121 121 ASN N N 121 116.650 116.650 118.457 -1.807 18720 6843 1 16 . 1 1 121 121 ASN C C 121 178.330 178.330 178.052 0.278 18720 6844 1 16 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.133 0.537 18720 6845 1 16 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.706 0.854 18720 6846 1 16 . 1 1 122 122 GLY N N 122 129.450 129.450 108.474 20.976 18720 6847 1 16 . 1 1 122 122 GLY C C 122 176.190 176.190 176.078 0.112 18720 6848 1 16 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.888 -0.108 18720 6849 1 16 . 1 1 123 123 LEU N N 123 121.510 121.510 121.624 -0.114 18720 6850 1 16 . 1 1 123 123 LEU C C 123 179.060 179.060 178.248 0.812 18720 6851 1 16 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.106 -0.716 18720 6852 1 16 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.775 -0.185 18720 6853 1 16 . 1 1 124 124 LEU N N 124 119.080 119.080 116.075 3.005 18720 6854 1 16 . 1 1 124 124 LEU C C 124 177.880 177.880 178.652 -0.772 18720 6855 1 16 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.302 -1.022 18720 6856 1 16 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.985 0.315 18720 6857 1 16 . 1 1 125 125 LYS N N 125 118.600 118.600 116.430 2.170 18720 6858 1 16 . 1 1 125 125 LYS C C 125 176.540 176.540 177.517 -0.977 18720 6859 1 16 . 1 1 125 125 LYS CA C 125 56.470 56.470 57.366 -0.896 18720 6860 1 16 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.954 -0.224 18720 6861 1 16 . 1 1 126 126 SER N N 126 116.570 116.570 116.017 0.553 18720 6862 1 16 . 1 1 126 126 SER C C 126 173.590 173.590 173.694 -0.104 18720 6863 1 16 . 1 1 126 126 SER CA C 126 58.550 58.550 57.843 0.707 18720 6864 1 16 . 1 1 126 126 SER CB C 126 63.880 63.880 64.808 -0.928 18720 6865 1 17 . 1 1 2 2 ALA N N 2 123.960 123.960 125.824 -1.864 18720 6866 1 17 . 1 1 2 2 ALA C C 2 177.620 177.620 176.583 1.037 18720 6867 1 17 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.518 1.392 18720 6868 1 17 . 1 1 2 2 ALA CB C 2 19.050 19.050 19.670 -0.620 18720 6869 1 17 . 1 1 3 3 ASP N N 3 119.570 119.570 119.784 -0.214 18720 6870 1 17 . 1 1 3 3 ASP C C 3 177.150 177.150 177.602 -0.452 18720 6871 1 17 . 1 1 3 3 ASP CA C 3 54.800 54.800 54.123 0.677 18720 6872 1 17 . 1 1 3 3 ASP CB C 3 41.610 41.610 41.664 -0.054 18720 6873 1 17 . 1 1 4 4 GLU N N 4 123.110 123.110 123.056 0.054 18720 6874 1 17 . 1 1 4 4 GLU C C 4 177.710 177.710 178.599 -0.889 18720 6875 1 17 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.447 -1.057 18720 6876 1 17 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.893 -0.093 18720 6877 1 17 . 1 1 5 5 SER N N 5 116.020 116.020 114.137 1.883 18720 6878 1 17 . 1 1 5 5 SER CA C 5 60.870 60.870 61.087 -0.217 18720 6879 1 17 . 1 1 5 5 SER CB C 5 62.940 62.940 62.664 0.276 18720 6880 1 17 . 1 1 6 6 ILE N N 6 123.790 123.790 120.134 3.656 18720 6881 1 17 . 1 1 6 6 ILE C C 6 178.180 178.180 177.988 0.192 18720 6882 1 17 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.613 0.057 18720 6883 1 17 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.714 0.946 18720 6884 1 17 . 1 1 7 7 THR N N 7 117.450 117.450 116.748 0.702 18720 6885 1 17 . 1 1 7 7 THR C C 7 176.030 176.030 176.907 -0.877 18720 6886 1 17 . 1 1 7 7 THR CA C 7 66.370 66.370 67.052 -0.682 18720 6887 1 17 . 1 1 7 7 THR CB C 7 68.640 68.640 68.457 0.183 18720 6888 1 17 . 1 1 8 8 ARG N N 8 120.770 120.770 120.515 0.255 18720 6889 1 17 . 1 1 8 8 ARG C C 8 179.040 179.040 178.376 0.664 18720 6890 1 17 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.945 -0.555 18720 6891 1 17 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.942 0.048 18720 6892 1 17 . 1 1 9 9 MET N N 9 119.840 119.840 119.407 0.433 18720 6893 1 17 . 1 1 9 9 MET C C 9 178.760 178.760 177.859 0.901 18720 6894 1 17 . 1 1 9 9 MET CA C 9 58.240 58.240 59.130 -0.890 18720 6895 1 17 . 1 1 9 9 MET CB C 9 31.970 31.970 32.516 -0.546 18720 6896 1 17 . 1 1 10 10 ASN N N 10 120.190 120.190 118.466 1.724 18720 6897 1 17 . 1 1 10 10 ASN C C 10 176.660 176.660 177.831 -1.171 18720 6898 1 17 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.132 -0.492 18720 6899 1 17 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.228 0.082 18720 6900 1 17 . 1 1 11 11 LEU N N 11 121.490 121.490 121.292 0.198 18720 6901 1 17 . 1 1 11 11 LEU C C 11 177.690 177.690 177.899 -0.209 18720 6902 1 17 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.760 -0.370 18720 6903 1 17 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.577 -0.597 18720 6904 1 17 . 1 1 12 12 ALA N N 12 120.380 120.380 121.709 -1.329 18720 6905 1 17 . 1 1 12 12 ALA C C 12 179.910 179.910 179.420 0.490 18720 6906 1 17 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.089 -0.199 18720 6907 1 17 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.909 -0.349 18720 6908 1 17 . 1 1 13 13 ALA N N 13 119.960 119.960 121.053 -1.093 18720 6909 1 17 . 1 1 13 13 ALA C C 13 179.740 179.740 179.972 -0.232 18720 6910 1 17 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.621 0.209 18720 6911 1 17 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.229 -0.709 18720 6912 1 17 . 1 1 14 14 ILE N N 14 118.040 118.040 119.752 -1.712 18720 6913 1 17 . 1 1 14 14 ILE C C 14 178.220 178.220 177.672 0.548 18720 6914 1 17 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.080 -0.720 18720 6915 1 17 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.240 -0.100 18720 6916 1 17 . 1 1 15 15 LYS N N 15 118.740 118.740 117.416 1.324 18720 6917 1 17 . 1 1 15 15 LYS C C 15 177.440 177.440 178.756 -1.316 18720 6918 1 17 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.623 -0.803 18720 6919 1 17 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.837 1.053 18720 6920 1 17 . 1 1 16 16 LYS N N 16 115.750 115.750 119.243 -3.493 18720 6921 1 17 . 1 1 16 16 LYS C C 16 177.060 177.060 177.564 -0.504 18720 6922 1 17 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.740 -0.180 18720 6923 1 17 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.459 0.131 18720 6924 1 17 . 1 1 17 17 ILE N N 17 115.830 115.830 115.689 0.141 18720 6925 1 17 . 1 1 17 17 ILE C C 17 175.500 175.500 176.380 -0.880 18720 6926 1 17 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.552 -1.112 18720 6927 1 17 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.061 -0.101 18720 6928 1 17 . 1 1 18 18 ASP N N 18 119.320 119.320 122.188 -2.868 18720 6929 1 17 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.350 -0.610 18720 6930 1 17 . 1 1 18 18 ASP CB C 18 40.710 40.710 42.057 -1.347 18720 6931 1 17 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.188 -0.588 18720 6932 1 17 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.850 0.160 18720 6933 1 17 . 1 1 20 20 TYR N N 20 115.540 115.540 113.551 1.989 18720 6934 1 17 . 1 1 20 20 TYR C C 20 175.350 175.350 174.238 1.112 18720 6935 1 17 . 1 1 20 20 TYR CA C 20 57.810 57.810 54.753 3.057 18720 6936 1 17 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.730 0.410 18720 6937 1 17 . 1 1 21 21 ALA N N 21 122.720 122.720 123.329 -0.609 18720 6938 1 17 . 1 1 21 21 ALA C C 21 175.410 175.410 175.749 -0.339 18720 6939 1 17 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.077 3.253 18720 6940 1 17 . 1 1 21 21 ALA CB C 21 20.690 20.690 19.035 1.655 18720 6941 1 17 . 1 1 22 22 LYS N N 22 121.370 121.370 124.649 -3.279 18720 6942 1 17 . 1 1 22 22 LYS C C 22 175.400 175.400 176.430 -1.030 18720 6943 1 17 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.645 0.175 18720 6944 1 17 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.626 1.234 18720 6945 1 17 . 1 1 23 23 GLU N N 23 113.820 113.820 119.066 -5.246 18720 6946 1 17 . 1 1 23 23 GLU C C 23 174.470 174.470 174.705 -0.235 18720 6947 1 17 . 1 1 23 23 GLU CA C 23 55.330 55.330 54.922 0.408 18720 6948 1 17 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.881 0.159 18720 6949 1 17 . 1 1 24 24 ILE N N 24 125.650 125.650 125.489 0.161 18720 6950 1 17 . 1 1 24 24 ILE C C 24 175.360 175.360 176.220 -0.860 18720 6951 1 17 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.599 1.171 18720 6952 1 17 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.015 -0.405 18720 6953 1 17 . 1 1 25 25 VAL N N 25 127.290 127.290 127.366 -0.076 18720 6954 1 17 . 1 1 25 25 VAL C C 25 175.240 175.240 176.187 -0.947 18720 6955 1 17 . 1 1 25 25 VAL CA C 25 63.620 63.620 63.365 0.255 18720 6956 1 17 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.563 0.777 18720 6957 1 17 . 1 1 26 26 ASP N N 26 117.410 117.410 117.069 0.341 18720 6958 1 17 . 1 1 26 26 ASP C C 26 174.000 174.000 174.221 -0.221 18720 6959 1 17 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.505 -0.475 18720 6960 1 17 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.577 0.133 18720 6961 1 17 . 1 1 27 27 SER N N 27 115.600 115.600 117.514 -1.914 18720 6962 1 17 . 1 1 27 27 SER C C 27 172.420 172.420 172.886 -0.466 18720 6963 1 17 . 1 1 27 27 SER CA C 27 57.200 57.200 56.894 0.306 18720 6964 1 17 . 1 1 27 27 SER CB C 27 67.230 67.230 65.833 1.397 18720 6965 1 17 . 1 1 28 28 SER N N 28 113.820 113.820 120.565 -6.745 18720 6966 1 17 . 1 1 28 28 SER C C 28 176.140 176.140 175.425 0.715 18720 6967 1 17 . 1 1 28 28 SER CA C 28 57.840 57.840 55.799 2.041 18720 6968 1 17 . 1 1 28 28 SER CB C 28 65.830 65.830 64.688 1.142 18720 6969 1 17 . 1 1 29 29 SER N N 29 121.670 121.670 124.544 -2.874 18720 6970 1 17 . 1 1 29 29 SER CA C 29 61.900 61.900 61.365 0.535 18720 6971 1 17 . 1 1 29 29 SER CB C 29 63.720 63.720 63.597 0.123 18720 6972 1 17 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.117 0.513 18720 6973 1 17 . 1 1 31 31 VAL N N 31 127.450 127.450 125.584 1.866 18720 6974 1 17 . 1 1 31 31 VAL C C 31 173.480 173.480 173.250 0.230 18720 6975 1 17 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.746 -0.416 18720 6976 1 17 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.580 -0.040 18720 6977 1 17 . 1 1 32 32 ALA N N 32 125.580 125.580 126.702 -1.122 18720 6978 1 17 . 1 1 32 32 ALA C C 32 175.260 175.260 175.189 0.071 18720 6979 1 17 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.775 1.035 18720 6980 1 17 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.046 -0.026 18720 6981 1 17 . 1 1 33 33 PHE N N 33 123.530 123.530 122.508 1.022 18720 6982 1 17 . 1 1 33 33 PHE C C 33 174.210 174.210 173.543 0.667 18720 6983 1 17 . 1 1 33 33 PHE CA C 33 56.050 56.050 57.062 -1.012 18720 6984 1 17 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.864 -0.844 18720 6985 1 17 . 1 1 34 34 TYR N N 34 130.040 130.040 125.607 4.433 18720 6986 1 17 . 1 1 34 34 TYR C C 34 173.300 173.300 174.995 -1.695 18720 6987 1 17 . 1 1 34 34 TYR CA C 34 57.500 57.500 57.001 0.499 18720 6988 1 17 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.917 1.232 18720 6989 1 17 . 1 1 35 35 THR N N 35 109.080 109.080 118.084 -9.004 18720 6990 1 17 . 1 1 35 35 THR C C 35 172.150 172.150 172.725 -0.575 18720 6991 1 17 . 1 1 35 35 THR CA C 35 59.670 59.670 61.897 -2.227 18720 6992 1 17 . 1 1 35 35 THR CB C 35 70.820 70.820 71.515 -0.695 18720 6993 1 17 . 1 1 36 36 PHE N N 36 126.090 126.090 125.283 0.807 18720 6994 1 17 . 1 1 36 36 PHE C C 36 173.570 173.570 173.477 0.093 18720 6995 1 17 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.140 1.770 18720 6996 1 17 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.706 -2.936 18720 6997 1 17 . 1 1 37 37 ASN N N 37 128.500 128.500 125.321 3.179 18720 6998 1 17 . 1 1 37 37 ASN C C 37 175.280 175.280 175.106 0.174 18720 6999 1 17 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.490 0.040 18720 7000 1 17 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.457 -1.727 18720 7001 1 17 . 1 1 38 38 SER N N 38 121.880 121.880 121.700 0.180 18720 7002 1 17 . 1 1 38 38 SER CB C 38 63.050 63.050 63.139 -0.089 18720 7003 1 17 . 1 1 39 39 SER C C 39 175.410 175.410 175.633 -0.223 18720 7004 1 17 . 1 1 39 39 SER CA C 39 61.020 61.020 61.122 -0.102 18720 7005 1 17 . 1 1 39 39 SER CB C 39 62.700 62.700 63.316 -0.616 18720 7006 1 17 . 1 1 40 40 GLN N N 40 117.370 117.370 118.304 -0.934 18720 7007 1 17 . 1 1 40 40 GLN C C 40 174.910 174.910 175.450 -0.540 18720 7008 1 17 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.122 -0.322 18720 7009 1 17 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.375 0.435 18720 7010 1 17 . 1 1 41 41 ASN N N 41 118.400 118.400 116.871 1.529 18720 7011 1 17 . 1 1 41 41 ASN C C 41 173.240 173.240 173.593 -0.353 18720 7012 1 17 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.145 0.055 18720 7013 1 17 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.904 -0.264 18720 7014 1 17 . 1 1 42 42 GLU N N 42 112.910 112.910 118.103 -5.193 18720 7015 1 17 . 1 1 42 42 GLU C C 42 174.620 174.620 174.312 0.308 18720 7016 1 17 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.767 -0.657 18720 7017 1 17 . 1 1 42 42 GLU CB C 42 34.450 34.450 32.917 1.533 18720 7018 1 17 . 1 1 43 43 TRP N N 43 123.140 123.140 122.816 0.324 18720 7019 1 17 . 1 1 43 43 TRP C C 43 175.850 175.850 176.506 -0.656 18720 7020 1 17 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.341 0.299 18720 7021 1 17 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.775 0.835 18720 7022 1 17 . 1 1 44 44 GLU N N 44 120.660 120.660 123.979 -3.319 18720 7023 1 17 . 1 1 44 44 GLU C C 44 175.030 175.030 175.256 -0.226 18720 7024 1 17 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.795 0.325 18720 7025 1 17 . 1 1 44 44 GLU CB C 44 32.110 32.110 33.208 -1.098 18720 7026 1 17 . 1 1 45 45 LYS N N 45 123.100 123.100 127.978 -4.878 18720 7027 1 17 . 1 1 45 45 LYS C C 45 176.810 176.810 176.530 0.280 18720 7028 1 17 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.447 0.513 18720 7029 1 17 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.920 0.419 18720 7030 1 17 . 1 1 46 46 THR N N 46 114.570 114.570 119.247 -4.677 18720 7031 1 17 . 1 1 46 46 THR C C 46 174.130 174.130 174.685 -0.555 18720 7032 1 17 . 1 1 46 46 THR CA C 46 61.720 61.720 60.496 1.224 18720 7033 1 17 . 1 1 46 46 THR CB C 46 71.720 71.720 70.090 1.630 18720 7034 1 17 . 1 1 47 47 ASP N N 47 118.590 118.590 117.649 0.941 18720 7035 1 17 . 1 1 47 47 ASP C C 47 174.390 174.390 175.620 -1.230 18720 7036 1 17 . 1 1 47 47 ASP CA C 47 53.910 53.910 53.895 0.015 18720 7037 1 17 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.271 -0.401 18720 7038 1 17 . 1 1 48 48 VAL N N 48 118.730 118.730 121.686 -2.956 18720 7039 1 17 . 1 1 48 48 VAL C C 48 174.840 174.840 173.787 1.053 18720 7040 1 17 . 1 1 48 48 VAL CA C 48 62.360 62.360 62.029 0.331 18720 7041 1 17 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.955 0.435 18720 7042 1 17 . 1 1 49 49 GLU N N 49 127.180 127.180 128.396 -1.216 18720 7043 1 17 . 1 1 49 49 GLU C C 49 174.140 174.140 175.210 -1.070 18720 7044 1 17 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.080 0.150 18720 7045 1 17 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.642 0.228 18720 7046 1 17 . 1 1 50 50 GLY N N 50 110.640 110.640 112.061 -1.421 18720 7047 1 17 . 1 1 50 50 GLY C C 50 171.360 171.360 171.898 -0.538 18720 7048 1 17 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.028 0.692 18720 7049 1 17 . 1 1 51 51 ALA N N 51 124.800 124.800 121.858 2.942 18720 7050 1 17 . 1 1 51 51 ALA C C 51 174.220 174.220 175.754 -1.534 18720 7051 1 17 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.296 1.374 18720 7052 1 17 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.812 -0.542 18720 7053 1 17 . 1 1 52 52 PHE N N 52 123.680 123.680 125.711 -2.031 18720 7054 1 17 . 1 1 52 52 PHE C C 52 173.650 173.650 173.328 0.322 18720 7055 1 17 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.063 -0.144 18720 7056 1 17 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.310 2.390 18720 7057 1 17 . 1 1 53 53 PHE N N 53 123.690 123.690 126.538 -2.848 18720 7058 1 17 . 1 1 53 53 PHE C C 53 174.760 174.760 174.046 0.714 18720 7059 1 17 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.330 1.190 18720 7060 1 17 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.399 0.021 18720 7061 1 17 . 1 1 54 54 ILE N N 54 119.970 119.970 121.390 -1.420 18720 7062 1 17 . 1 1 54 54 ILE C C 54 175.240 175.240 174.629 0.611 18720 7063 1 17 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.739 -1.249 18720 7064 1 17 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.288 -0.397 18720 7065 1 17 . 1 1 55 55 TYR N N 55 125.670 125.670 126.585 -0.915 18720 7066 1 17 . 1 1 55 55 TYR C C 55 170.980 170.980 175.099 -4.119 18720 7067 1 17 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.584 0.736 18720 7068 1 17 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.842 2.138 18720 7069 1 17 . 1 1 56 56 HIS N N 56 121.710 121.710 122.746 -1.036 18720 7070 1 17 . 1 1 56 56 HIS C C 56 175.000 175.000 173.656 1.344 18720 7071 1 17 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.893 -2.163 18720 7072 1 17 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.373 -0.073 18720 7073 1 17 . 1 1 57 57 ARG N N 57 126.870 126.870 123.213 3.657 18720 7074 1 17 . 1 1 57 57 ARG C C 57 174.770 174.770 174.610 0.160 18720 7075 1 17 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.276 0.754 18720 7076 1 17 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.367 1.723 18720 7077 1 17 . 1 1 58 58 ASN N N 58 115.660 115.660 122.168 -6.508 18720 7078 1 17 . 1 1 58 58 ASN C C 58 173.540 173.540 174.040 -0.500 18720 7079 1 17 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.169 -0.399 18720 7080 1 17 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.946 1.234 18720 7081 1 17 . 1 1 59 59 ALA N N 59 120.190 120.190 121.385 -1.195 18720 7082 1 17 . 1 1 59 59 ALA C C 59 173.000 173.000 174.753 -1.753 18720 7083 1 17 . 1 1 59 59 ALA CA C 59 50.340 50.340 51.000 -0.660 18720 7084 1 17 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.035 0.845 18720 7085 1 17 . 1 1 60 60 GLU N N 60 117.270 117.270 119.756 -2.486 18720 7086 1 17 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.926 -0.416 18720 7087 1 17 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.318 0.352 18720 7088 1 17 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.293 -0.233 18720 7089 1 17 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.688 0.942 18720 7090 1 17 . 1 1 62 62 PHE N N 62 120.680 120.680 119.392 1.288 18720 7091 1 17 . 1 1 62 62 PHE C C 62 174.840 174.840 175.607 -0.767 18720 7092 1 17 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.694 -0.915 18720 7093 1 17 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.737 -0.517 18720 7094 1 17 . 1 1 63 63 HIS N N 63 115.820 115.820 112.963 2.857 18720 7095 1 17 . 1 1 63 63 HIS C C 63 174.540 174.540 173.925 0.615 18720 7096 1 17 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.555 0.435 18720 7097 1 17 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.452 0.878 18720 7098 1 17 . 1 1 64 64 SER N N 64 114.040 114.040 116.949 -2.909 18720 7099 1 17 . 1 1 64 64 SER C C 64 169.620 169.620 172.164 -2.544 18720 7100 1 17 . 1 1 64 64 SER CA C 64 55.980 55.980 57.710 -1.730 18720 7101 1 17 . 1 1 64 64 SER CB C 64 66.770 66.770 65.661 1.109 18720 7102 1 17 . 1 1 65 65 ILE N N 65 125.090 125.090 123.091 1.999 18720 7103 1 17 . 1 1 65 65 ILE C C 65 174.630 174.630 173.826 0.804 18720 7104 1 17 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.417 -0.197 18720 7105 1 17 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.662 -0.072 18720 7106 1 17 . 1 1 66 66 PHE N N 66 127.730 127.730 126.681 1.049 18720 7107 1 17 . 1 1 66 66 PHE C C 66 174.680 174.680 173.068 1.612 18720 7108 1 17 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.737 -0.437 18720 7109 1 17 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.586 1.444 18720 7110 1 17 . 1 1 67 67 ILE N N 67 124.780 124.780 124.586 0.194 18720 7111 1 17 . 1 1 67 67 ILE C C 67 174.180 174.180 173.814 0.366 18720 7112 1 17 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.638 0.032 18720 7113 1 17 . 1 1 67 67 ILE CB C 67 40.720 40.720 40.953 -0.233 18720 7114 1 17 . 1 1 68 68 ASN N N 68 124.620 124.620 125.156 -0.536 18720 7115 1 17 . 1 1 68 68 ASN C C 68 174.260 174.260 174.123 0.137 18720 7116 1 17 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.995 -0.925 18720 7117 1 17 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.501 -0.501 18720 7118 1 17 . 1 1 69 69 ASN N N 69 124.120 124.120 125.594 -1.474 18720 7119 1 17 . 1 1 69 69 ASN C C 69 175.740 175.740 175.706 0.034 18720 7120 1 17 . 1 1 69 69 ASN CA C 69 53.200 53.200 53.130 0.070 18720 7121 1 17 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.921 0.599 18720 7122 1 17 . 1 1 70 70 ARG N N 70 123.310 123.310 127.633 -4.323 18720 7123 1 17 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.018 -1.058 18720 7124 1 17 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.308 0.752 18720 7125 1 17 . 1 1 73 73 THR C C 73 175.310 175.310 173.352 1.958 18720 7126 1 17 . 1 1 73 73 THR CA C 73 62.320 62.320 63.894 -1.574 18720 7127 1 17 . 1 1 73 73 THR CB C 73 69.070 69.070 66.703 2.367 18720 7128 1 17 . 1 1 74 74 THR N N 74 119.010 119.010 116.298 2.712 18720 7129 1 17 . 1 1 74 74 THR C C 74 173.810 173.810 173.143 0.667 18720 7130 1 17 . 1 1 74 74 THR CA C 74 62.700 62.700 60.991 1.709 18720 7131 1 17 . 1 1 74 74 THR CB C 74 69.750 69.750 72.205 -2.455 18720 7132 1 17 . 1 1 75 75 SER N N 75 120.750 120.750 118.788 1.962 18720 7133 1 17 . 1 1 75 75 SER C C 75 172.250 172.250 173.551 -1.301 18720 7134 1 17 . 1 1 75 75 SER CA C 75 58.300 58.300 57.898 0.403 18720 7135 1 17 . 1 1 75 75 SER CB C 75 65.290 65.290 64.596 0.694 18720 7136 1 17 . 1 1 76 76 PHE N N 76 122.090 122.090 127.616 -5.526 18720 7137 1 17 . 1 1 76 76 PHE C C 76 172.040 172.040 172.774 -0.734 18720 7138 1 17 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.369 0.411 18720 7139 1 17 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.547 0.752 18720 7140 1 17 . 1 1 77 77 VAL N N 77 124.490 124.490 126.216 -1.726 18720 7141 1 17 . 1 1 77 77 VAL C C 77 174.390 174.390 173.636 0.754 18720 7142 1 17 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.734 0.006 18720 7143 1 17 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.252 0.359 18720 7144 1 17 . 1 1 78 78 GLU N N 78 125.760 125.760 127.636 -1.876 18720 7145 1 17 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.924 -0.804 18720 7146 1 17 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.186 0.604 18720 7147 1 17 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.522 0.248 18720 7148 1 17 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.661 -0.101 18720 7149 1 17 . 1 1 80 80 ILE N N 80 123.190 123.190 122.436 0.754 18720 7150 1 17 . 1 1 80 80 ILE C C 80 174.250 174.250 176.004 -1.754 18720 7151 1 17 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.779 -0.360 18720 7152 1 17 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.589 -1.949 18720 7153 1 17 . 1 1 81 81 THR N N 81 115.840 115.840 116.756 -0.916 18720 7154 1 17 . 1 1 81 81 THR C C 81 174.140 174.140 175.251 -1.111 18720 7155 1 17 . 1 1 81 81 THR CA C 81 59.500 59.500 60.214 -0.714 18720 7156 1 17 . 1 1 81 81 THR CB C 81 71.030 71.030 71.618 -0.588 18720 7157 1 17 . 1 1 82 82 GLY N N 82 128.890 128.890 109.876 19.014 18720 7158 1 17 . 1 1 82 82 GLY C C 82 176.630 176.630 174.473 2.157 18720 7159 1 17 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.041 1.379 18720 7160 1 17 . 1 1 83 83 SER N N 83 113.780 113.780 116.268 -2.488 18720 7161 1 17 . 1 1 83 83 SER C C 83 173.410 173.410 174.784 -1.374 18720 7162 1 17 . 1 1 83 83 SER CA C 83 57.840 57.840 58.790 -0.950 18720 7163 1 17 . 1 1 83 83 SER CB C 83 63.480 63.480 64.347 -0.867 18720 7164 1 17 . 1 1 84 84 LEU N N 84 123.770 123.770 123.422 0.348 18720 7165 1 17 . 1 1 84 84 LEU C C 84 175.350 175.350 176.012 -0.662 18720 7166 1 17 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.273 0.857 18720 7167 1 17 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.602 0.088 18720 7168 1 17 . 1 1 85 85 GLU N N 85 124.380 124.380 123.065 1.315 18720 7169 1 17 . 1 1 85 85 GLU C C 85 174.280 174.280 174.893 -0.613 18720 7170 1 17 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.308 -0.438 18720 7171 1 17 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.146 1.274 18720 7172 1 17 . 1 1 86 86 LEU N N 86 121.400 121.400 124.663 -3.263 18720 7173 1 17 . 1 1 86 86 LEU C C 86 177.240 177.240 176.907 0.333 18720 7174 1 17 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.811 0.679 18720 7175 1 17 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.450 1.670 18720 7176 1 17 . 1 1 87 87 GLN N N 87 121.690 121.690 119.484 2.206 18720 7177 1 17 . 1 1 87 87 GLN C C 87 173.460 173.460 174.003 -0.543 18720 7178 1 17 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.710 1.370 18720 7179 1 17 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.029 -1.259 18720 7180 1 17 . 1 1 88 88 SER N N 88 120.000 120.000 117.134 2.866 18720 7181 1 17 . 1 1 88 88 SER C C 88 174.930 174.930 173.964 0.966 18720 7182 1 17 . 1 1 88 88 SER CA C 88 57.540 57.540 57.645 -0.105 18720 7183 1 17 . 1 1 88 88 SER CB C 88 63.750 63.750 63.434 0.316 18720 7184 1 17 . 1 1 89 89 GLN N N 89 129.170 129.170 127.644 1.526 18720 7185 1 17 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.639 0.981 18720 7186 1 17 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.757 -0.257 18720 7187 1 17 . 1 1 93 93 LEU C C 93 173.810 173.810 174.329 -0.519 18720 7188 1 17 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.739 0.151 18720 7189 1 17 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.459 0.332 18720 7190 1 17 . 1 1 94 94 LEU N N 94 125.950 125.950 127.688 -1.738 18720 7191 1 17 . 1 1 94 94 LEU C C 94 175.680 175.680 174.323 1.357 18720 7192 1 17 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.958 1.012 18720 7193 1 17 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.267 -1.987 18720 7194 1 17 . 1 1 95 95 TYR N N 95 118.250 118.250 121.152 -2.902 18720 7195 1 17 . 1 1 95 95 TYR C C 95 171.830 171.830 173.455 -1.625 18720 7196 1 17 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.352 1.768 18720 7197 1 17 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.263 0.347 18720 7198 1 17 . 1 1 96 96 ARG N N 96 114.570 114.570 119.773 -5.203 18720 7199 1 17 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.790 -1.590 18720 7200 1 17 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.712 0.268 18720 7201 1 17 . 1 1 99 99 ARG C C 99 175.470 175.470 175.596 -0.126 18720 7202 1 17 . 1 1 99 99 ARG CB C 99 29.380 29.380 27.980 1.400 18720 7203 1 17 . 1 1 100 100 SER N N 100 110.460 110.460 109.382 1.078 18720 7204 1 17 . 1 1 100 100 SER C C 100 173.620 173.620 173.713 -0.093 18720 7205 1 17 . 1 1 100 100 SER CA C 100 59.570 59.570 59.416 0.154 18720 7206 1 17 . 1 1 100 100 SER CB C 100 62.640 62.640 62.282 0.358 18720 7207 1 17 . 1 1 101 101 ARG N N 101 119.500 119.500 119.163 0.337 18720 7208 1 17 . 1 1 101 101 ARG C C 101 174.900 174.900 174.545 0.355 18720 7209 1 17 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.247 0.263 18720 7210 1 17 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.528 -2.058 18720 7211 1 17 . 1 1 102 102 ILE N N 102 124.730 124.730 121.890 2.840 18720 7212 1 17 . 1 1 102 102 ILE C C 102 175.360 175.360 174.714 0.646 18720 7213 1 17 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.567 1.103 18720 7214 1 17 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.175 -0.445 18720 7215 1 17 . 1 1 103 103 ARG N N 103 130.770 130.770 125.130 5.640 18720 7216 1 17 . 1 1 103 103 ARG C C 103 173.480 173.480 174.310 -0.830 18720 7217 1 17 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.143 0.687 18720 7218 1 17 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.742 1.548 18720 7219 1 17 . 1 1 104 104 GLY N N 104 128.260 128.260 107.642 20.618 18720 7220 1 17 . 1 1 104 104 GLY C C 104 170.890 170.890 171.452 -0.562 18720 7221 1 17 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.409 2.031 18720 7222 1 17 . 1 1 105 105 PHE N N 105 118.120 118.120 117.691 0.429 18720 7223 1 17 . 1 1 105 105 PHE C C 105 173.920 173.920 173.578 0.342 18720 7224 1 17 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.498 -1.838 18720 7225 1 17 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.441 -0.221 18720 7226 1 17 . 1 1 106 106 TRP N N 106 124.290 124.290 124.163 0.127 18720 7227 1 17 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.620 -0.210 18720 7228 1 17 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.138 -0.258 18720 7229 1 17 . 1 1 110 110 SER C C 110 175.240 175.240 176.039 -0.799 18720 7230 1 17 . 1 1 110 110 SER CA C 110 62.920 62.920 60.979 1.941 18720 7231 1 17 . 1 1 110 110 SER CB C 110 64.980 64.980 63.325 1.655 18720 7232 1 17 . 1 1 111 111 GLU N N 111 122.310 122.310 120.780 1.530 18720 7233 1 17 . 1 1 111 111 GLU C C 111 179.150 179.150 178.764 0.386 18720 7234 1 17 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.026 0.514 18720 7235 1 17 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.231 -0.661 18720 7236 1 17 . 1 1 112 112 GLU N N 112 118.920 118.920 120.072 -1.152 18720 7237 1 17 . 1 1 112 112 GLU C C 112 176.360 176.360 178.438 -2.078 18720 7238 1 17 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.091 -1.011 18720 7239 1 17 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.485 0.755 18720 7240 1 17 . 1 1 113 113 CYS N N 113 117.090 117.090 117.523 -0.433 18720 7241 1 17 . 1 1 113 113 CYS C C 113 176.110 176.110 176.265 -0.155 18720 7242 1 17 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.312 -0.812 18720 7243 1 17 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.085 0.715 18720 7244 1 17 . 1 1 114 114 ASP N N 114 118.820 118.820 120.615 -1.795 18720 7245 1 17 . 1 1 114 114 ASP C C 114 178.460 178.460 178.730 -0.270 18720 7246 1 17 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.416 -0.076 18720 7247 1 17 . 1 1 114 114 ASP CB C 114 41.070 41.070 39.972 1.098 18720 7248 1 17 . 1 1 115 115 ARG N N 115 120.870 120.870 120.047 0.823 18720 7249 1 17 . 1 1 115 115 ARG C C 115 179.440 179.440 178.502 0.938 18720 7250 1 17 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.341 0.309 18720 7251 1 17 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.053 0.647 18720 7252 1 17 . 1 1 116 116 ILE N N 116 119.500 119.500 118.293 1.207 18720 7253 1 17 . 1 1 116 116 ILE C C 116 177.680 177.680 177.917 -0.237 18720 7254 1 17 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.764 -1.823 18720 7255 1 17 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.685 -1.965 18720 7256 1 17 . 1 1 117 117 SER N N 117 115.890 115.890 115.965 -0.075 18720 7257 1 17 . 1 1 117 117 SER C C 117 176.720 176.720 176.968 -0.248 18720 7258 1 17 . 1 1 117 117 SER CA C 117 62.630 62.630 61.452 1.178 18720 7259 1 17 . 1 1 117 117 SER CB C 117 62.660 62.660 62.840 -0.180 18720 7260 1 17 . 1 1 118 118 GLY N N 118 130.780 130.780 110.455 20.325 18720 7261 1 17 . 1 1 118 118 GLY C C 118 176.570 176.570 175.836 0.734 18720 7262 1 17 . 1 1 118 118 GLY CA C 118 47.090 47.090 46.981 0.109 18720 7263 1 17 . 1 1 119 119 LEU N N 119 124.450 124.450 122.706 1.744 18720 7264 1 17 . 1 1 119 119 LEU C C 119 179.470 179.470 178.942 0.528 18720 7265 1 17 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.872 -0.062 18720 7266 1 17 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.856 0.454 18720 7267 1 17 . 1 1 120 120 VAL N N 120 119.140 119.140 119.418 -0.278 18720 7268 1 17 . 1 1 120 120 VAL C C 120 177.380 177.380 178.007 -0.627 18720 7269 1 17 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.710 0.720 18720 7270 1 17 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.389 -0.519 18720 7271 1 17 . 1 1 121 121 ASN N N 121 116.650 116.650 118.639 -1.989 18720 7272 1 17 . 1 1 121 121 ASN C C 121 178.330 178.330 177.761 0.569 18720 7273 1 17 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.276 0.394 18720 7274 1 17 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.551 1.009 18720 7275 1 17 . 1 1 122 122 GLY N N 122 129.450 129.450 108.481 20.969 18720 7276 1 17 . 1 1 122 122 GLY C C 122 176.190 176.190 176.111 0.079 18720 7277 1 17 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.930 -0.150 18720 7278 1 17 . 1 1 123 123 LEU N N 123 121.510 121.510 122.067 -0.557 18720 7279 1 17 . 1 1 123 123 LEU C C 123 179.060 179.060 178.136 0.924 18720 7280 1 17 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.401 -1.011 18720 7281 1 17 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.705 -0.115 18720 7282 1 17 . 1 1 124 124 LEU N N 124 119.080 119.080 116.225 2.855 18720 7283 1 17 . 1 1 124 124 LEU C C 124 177.880 177.880 178.907 -1.027 18720 7284 1 17 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.146 -0.866 18720 7285 1 17 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.973 0.327 18720 7286 1 17 . 1 1 125 125 LYS N N 125 118.600 118.600 116.228 2.372 18720 7287 1 17 . 1 1 125 125 LYS C C 125 176.540 176.540 177.395 -0.855 18720 7288 1 17 . 1 1 125 125 LYS CA C 125 56.470 56.470 57.580 -1.109 18720 7289 1 17 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.656 0.075 18720 7290 1 17 . 1 1 126 126 SER N N 126 116.570 116.570 115.994 0.576 18720 7291 1 17 . 1 1 126 126 SER C C 126 173.590 173.590 173.097 0.493 18720 7292 1 17 . 1 1 126 126 SER CA C 126 58.550 58.550 58.401 0.149 18720 7293 1 17 . 1 1 126 126 SER CB C 126 63.880 63.880 63.936 -0.056 18720 7294 1 18 . 1 1 2 2 ALA N N 2 123.960 123.960 126.466 -2.506 18720 7295 1 18 . 1 1 2 2 ALA C C 2 177.620 177.620 176.627 0.993 18720 7296 1 18 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.750 1.160 18720 7297 1 18 . 1 1 2 2 ALA CB C 2 19.050 19.050 20.077 -1.027 18720 7298 1 18 . 1 1 3 3 ASP N N 3 119.570 119.570 122.890 -3.320 18720 7299 1 18 . 1 1 3 3 ASP C C 3 177.150 177.150 176.572 0.578 18720 7300 1 18 . 1 1 3 3 ASP CA C 3 54.800 54.800 52.716 2.084 18720 7301 1 18 . 1 1 3 3 ASP CB C 3 41.610 41.610 42.245 -0.635 18720 7302 1 18 . 1 1 4 4 GLU N N 4 123.110 123.110 120.977 2.133 18720 7303 1 18 . 1 1 4 4 GLU C C 4 177.710 177.710 178.511 -0.801 18720 7304 1 18 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.633 -1.243 18720 7305 1 18 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.657 0.143 18720 7306 1 18 . 1 1 5 5 SER N N 5 116.020 116.020 115.694 0.326 18720 7307 1 18 . 1 1 5 5 SER CA C 5 60.870 60.870 61.243 -0.373 18720 7308 1 18 . 1 1 5 5 SER CB C 5 62.940 62.940 62.769 0.171 18720 7309 1 18 . 1 1 6 6 ILE N N 6 123.790 123.790 122.554 1.236 18720 7310 1 18 . 1 1 6 6 ILE C C 6 178.180 178.180 178.460 -0.280 18720 7311 1 18 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.365 0.304 18720 7312 1 18 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.708 0.952 18720 7313 1 18 . 1 1 7 7 THR N N 7 117.450 117.450 115.891 1.559 18720 7314 1 18 . 1 1 7 7 THR C C 7 176.030 176.030 176.715 -0.685 18720 7315 1 18 . 1 1 7 7 THR CA C 7 66.370 66.370 66.886 -0.516 18720 7316 1 18 . 1 1 7 7 THR CB C 7 68.640 68.640 68.361 0.279 18720 7317 1 18 . 1 1 8 8 ARG N N 8 120.770 120.770 122.085 -1.315 18720 7318 1 18 . 1 1 8 8 ARG C C 8 179.040 179.040 178.683 0.357 18720 7319 1 18 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.559 -0.169 18720 7320 1 18 . 1 1 8 8 ARG CB C 8 29.990 29.990 30.066 -0.076 18720 7321 1 18 . 1 1 9 9 MET N N 9 119.840 119.840 118.212 1.628 18720 7322 1 18 . 1 1 9 9 MET C C 9 178.760 178.760 178.452 0.308 18720 7323 1 18 . 1 1 9 9 MET CA C 9 58.240 58.240 59.439 -1.199 18720 7324 1 18 . 1 1 9 9 MET CB C 9 31.970 31.970 32.252 -0.282 18720 7325 1 18 . 1 1 10 10 ASN N N 10 120.190 120.190 118.582 1.608 18720 7326 1 18 . 1 1 10 10 ASN C C 10 176.660 176.660 177.792 -1.132 18720 7327 1 18 . 1 1 10 10 ASN CA C 10 55.640 55.640 55.991 -0.351 18720 7328 1 18 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.223 0.087 18720 7329 1 18 . 1 1 11 11 LEU N N 11 121.490 121.490 121.175 0.315 18720 7330 1 18 . 1 1 11 11 LEU C C 11 177.690 177.690 177.942 -0.252 18720 7331 1 18 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.754 -0.364 18720 7332 1 18 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.494 -0.514 18720 7333 1 18 . 1 1 12 12 ALA N N 12 120.380 120.380 121.671 -1.291 18720 7334 1 18 . 1 1 12 12 ALA C C 12 179.910 179.910 179.458 0.452 18720 7335 1 18 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.112 -0.222 18720 7336 1 18 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.916 -0.356 18720 7337 1 18 . 1 1 13 13 ALA N N 13 119.960 119.960 121.068 -1.108 18720 7338 1 18 . 1 1 13 13 ALA C C 13 179.740 179.740 180.000 -0.260 18720 7339 1 18 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.640 0.190 18720 7340 1 18 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.251 -0.731 18720 7341 1 18 . 1 1 14 14 ILE N N 14 118.040 118.040 119.829 -1.789 18720 7342 1 18 . 1 1 14 14 ILE C C 14 178.220 178.220 177.778 0.442 18720 7343 1 18 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.103 -0.743 18720 7344 1 18 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.312 -0.172 18720 7345 1 18 . 1 1 15 15 LYS N N 15 118.740 118.740 117.443 1.297 18720 7346 1 18 . 1 1 15 15 LYS C C 15 177.440 177.440 178.515 -1.075 18720 7347 1 18 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.573 -0.753 18720 7348 1 18 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.848 1.042 18720 7349 1 18 . 1 1 16 16 LYS N N 16 115.750 115.750 119.053 -3.303 18720 7350 1 18 . 1 1 16 16 LYS C C 16 177.060 177.060 177.496 -0.436 18720 7351 1 18 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.785 -0.225 18720 7352 1 18 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.588 0.002 18720 7353 1 18 . 1 1 17 17 ILE N N 17 115.830 115.830 115.525 0.305 18720 7354 1 18 . 1 1 17 17 ILE C C 17 175.500 175.500 176.356 -0.856 18720 7355 1 18 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.618 -1.178 18720 7356 1 18 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.364 -0.404 18720 7357 1 18 . 1 1 18 18 ASP N N 18 119.320 119.320 121.640 -2.320 18720 7358 1 18 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.430 -0.690 18720 7359 1 18 . 1 1 18 18 ASP CB C 18 40.710 40.710 41.895 -1.185 18720 7360 1 18 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.091 -0.491 18720 7361 1 18 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.750 0.260 18720 7362 1 18 . 1 1 20 20 TYR N N 20 115.540 115.540 113.122 2.418 18720 7363 1 18 . 1 1 20 20 TYR C C 20 175.350 175.350 174.773 0.577 18720 7364 1 18 . 1 1 20 20 TYR CA C 20 57.810 57.810 55.187 2.623 18720 7365 1 18 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.820 0.320 18720 7366 1 18 . 1 1 21 21 ALA N N 21 122.720 122.720 122.947 -0.227 18720 7367 1 18 . 1 1 21 21 ALA C C 21 175.410 175.410 176.178 -0.768 18720 7368 1 18 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.881 2.449 18720 7369 1 18 . 1 1 21 21 ALA CB C 21 20.690 20.690 18.899 1.791 18720 7370 1 18 . 1 1 22 22 LYS N N 22 121.370 121.370 125.082 -3.712 18720 7371 1 18 . 1 1 22 22 LYS C C 22 175.400 175.400 176.416 -1.016 18720 7372 1 18 . 1 1 22 22 LYS CA C 22 56.820 56.820 57.292 -0.472 18720 7373 1 18 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.188 1.672 18720 7374 1 18 . 1 1 23 23 GLU N N 23 113.820 113.820 115.672 -1.852 18720 7375 1 18 . 1 1 23 23 GLU C C 23 174.470 174.470 174.254 0.216 18720 7376 1 18 . 1 1 23 23 GLU CA C 23 55.330 55.330 54.881 0.449 18720 7377 1 18 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.446 0.594 18720 7378 1 18 . 1 1 24 24 ILE N N 24 125.650 125.650 121.660 3.990 18720 7379 1 18 . 1 1 24 24 ILE C C 24 175.360 175.360 176.395 -1.035 18720 7380 1 18 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.815 0.955 18720 7381 1 18 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.063 -0.453 18720 7382 1 18 . 1 1 25 25 VAL N N 25 127.290 127.290 126.011 1.279 18720 7383 1 18 . 1 1 25 25 VAL C C 25 175.240 175.240 175.852 -0.612 18720 7384 1 18 . 1 1 25 25 VAL CA C 25 63.620 63.620 63.166 0.454 18720 7385 1 18 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.932 0.408 18720 7386 1 18 . 1 1 26 26 ASP N N 26 117.410 117.410 117.449 -0.039 18720 7387 1 18 . 1 1 26 26 ASP C C 26 174.000 174.000 173.624 0.376 18720 7388 1 18 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.538 -0.508 18720 7389 1 18 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.025 0.685 18720 7390 1 18 . 1 1 27 27 SER N N 27 115.600 115.600 116.668 -1.068 18720 7391 1 18 . 1 1 27 27 SER C C 27 172.420 172.420 172.864 -0.444 18720 7392 1 18 . 1 1 27 27 SER CA C 27 57.200 57.200 56.810 0.390 18720 7393 1 18 . 1 1 27 27 SER CB C 27 67.230 67.230 65.872 1.358 18720 7394 1 18 . 1 1 28 28 SER N N 28 113.820 113.820 118.500 -4.680 18720 7395 1 18 . 1 1 28 28 SER C C 28 176.140 176.140 175.465 0.675 18720 7396 1 18 . 1 1 28 28 SER CA C 28 57.840 57.840 55.969 1.871 18720 7397 1 18 . 1 1 28 28 SER CB C 28 65.830 65.830 65.306 0.524 18720 7398 1 18 . 1 1 29 29 SER N N 29 121.670 121.670 123.367 -1.697 18720 7399 1 18 . 1 1 29 29 SER CA C 29 61.900 61.900 61.576 0.324 18720 7400 1 18 . 1 1 29 29 SER CB C 29 63.720 63.720 63.509 0.211 18720 7401 1 18 . 1 1 30 30 HIS CA C 30 56.630 56.630 55.808 0.822 18720 7402 1 18 . 1 1 31 31 VAL N N 31 127.450 127.450 126.044 1.406 18720 7403 1 18 . 1 1 31 31 VAL C C 31 173.480 173.480 173.394 0.086 18720 7404 1 18 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.973 -0.643 18720 7405 1 18 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.474 0.066 18720 7406 1 18 . 1 1 32 32 ALA N N 32 125.580 125.580 127.553 -1.973 18720 7407 1 18 . 1 1 32 32 ALA C C 32 175.260 175.260 175.126 0.134 18720 7408 1 18 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.983 0.828 18720 7409 1 18 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.220 -0.200 18720 7410 1 18 . 1 1 33 33 PHE N N 33 123.530 123.530 122.526 1.004 18720 7411 1 18 . 1 1 33 33 PHE C C 33 174.210 174.210 173.768 0.442 18720 7412 1 18 . 1 1 33 33 PHE CA C 33 56.050 56.050 54.582 1.468 18720 7413 1 18 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.158 -0.138 18720 7414 1 18 . 1 1 34 34 TYR N N 34 130.040 130.040 127.757 2.283 18720 7415 1 18 . 1 1 34 34 TYR C C 34 173.300 173.300 174.544 -1.244 18720 7416 1 18 . 1 1 34 34 TYR CA C 34 57.500 57.500 57.015 0.485 18720 7417 1 18 . 1 1 34 34 TYR CB C 34 44.150 44.150 43.026 1.124 18720 7418 1 18 . 1 1 35 35 THR N N 35 109.080 109.080 117.952 -8.872 18720 7419 1 18 . 1 1 35 35 THR C C 35 172.150 172.150 172.495 -0.345 18720 7420 1 18 . 1 1 35 35 THR CA C 35 59.670 59.670 61.435 -1.765 18720 7421 1 18 . 1 1 35 35 THR CB C 35 70.820 70.820 71.439 -0.619 18720 7422 1 18 . 1 1 36 36 PHE N N 36 126.090 126.090 125.667 0.423 18720 7423 1 18 . 1 1 36 36 PHE C C 36 173.570 173.570 173.520 0.050 18720 7424 1 18 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.255 1.655 18720 7425 1 18 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.023 -2.253 18720 7426 1 18 . 1 1 37 37 ASN N N 37 128.500 128.500 125.237 3.263 18720 7427 1 18 . 1 1 37 37 ASN C C 37 175.280 175.280 175.432 -0.152 18720 7428 1 18 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.382 0.148 18720 7429 1 18 . 1 1 37 37 ASN CB C 37 37.730 37.730 38.944 -1.214 18720 7430 1 18 . 1 1 38 38 SER N N 38 121.880 121.880 122.900 -1.020 18720 7431 1 18 . 1 1 38 38 SER CB C 38 63.050 63.050 63.187 -0.137 18720 7432 1 18 . 1 1 39 39 SER C C 39 175.410 175.410 175.562 -0.152 18720 7433 1 18 . 1 1 39 39 SER CA C 39 61.020 61.020 61.112 -0.092 18720 7434 1 18 . 1 1 39 39 SER CB C 39 62.700 62.700 63.323 -0.623 18720 7435 1 18 . 1 1 40 40 GLN N N 40 117.370 117.370 119.486 -2.116 18720 7436 1 18 . 1 1 40 40 GLN C C 40 174.910 174.910 175.619 -0.709 18720 7437 1 18 . 1 1 40 40 GLN CA C 40 54.800 54.800 54.984 -0.184 18720 7438 1 18 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.349 0.461 18720 7439 1 18 . 1 1 41 41 ASN N N 41 118.400 118.400 116.965 1.435 18720 7440 1 18 . 1 1 41 41 ASN C C 41 173.240 173.240 173.586 -0.346 18720 7441 1 18 . 1 1 41 41 ASN CA C 41 54.200 54.200 53.932 0.268 18720 7442 1 18 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.923 -0.283 18720 7443 1 18 . 1 1 42 42 GLU N N 42 112.910 112.910 118.296 -5.386 18720 7444 1 18 . 1 1 42 42 GLU C C 42 174.620 174.620 174.060 0.560 18720 7445 1 18 . 1 1 42 42 GLU CA C 42 54.110 54.110 55.062 -0.952 18720 7446 1 18 . 1 1 42 42 GLU CB C 42 34.450 34.450 32.737 1.713 18720 7447 1 18 . 1 1 43 43 TRP N N 43 123.140 123.140 122.278 0.862 18720 7448 1 18 . 1 1 43 43 TRP C C 43 175.850 175.850 176.564 -0.714 18720 7449 1 18 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.359 0.281 18720 7450 1 18 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.870 0.740 18720 7451 1 18 . 1 1 44 44 GLU N N 44 120.660 120.660 123.686 -3.026 18720 7452 1 18 . 1 1 44 44 GLU C C 44 175.030 175.030 175.093 -0.063 18720 7453 1 18 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.246 0.874 18720 7454 1 18 . 1 1 44 44 GLU CB C 44 32.110 32.110 32.964 -0.854 18720 7455 1 18 . 1 1 45 45 LYS N N 45 123.100 123.100 126.007 -2.907 18720 7456 1 18 . 1 1 45 45 LYS C C 45 176.810 176.810 176.279 0.531 18720 7457 1 18 . 1 1 45 45 LYS CA C 45 56.960 56.960 55.835 1.125 18720 7458 1 18 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.487 0.853 18720 7459 1 18 . 1 1 46 46 THR N N 46 114.570 114.570 116.616 -2.046 18720 7460 1 18 . 1 1 46 46 THR C C 46 174.130 174.130 174.674 -0.544 18720 7461 1 18 . 1 1 46 46 THR CA C 46 61.720 61.720 60.690 1.030 18720 7462 1 18 . 1 1 46 46 THR CB C 46 71.720 71.720 69.510 2.210 18720 7463 1 18 . 1 1 47 47 ASP N N 47 118.590 118.590 119.407 -0.817 18720 7464 1 18 . 1 1 47 47 ASP C C 47 174.390 174.390 175.588 -1.198 18720 7465 1 18 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.581 -0.671 18720 7466 1 18 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.383 -0.513 18720 7467 1 18 . 1 1 48 48 VAL N N 48 118.730 118.730 121.370 -2.640 18720 7468 1 18 . 1 1 48 48 VAL C C 48 174.840 174.840 173.779 1.061 18720 7469 1 18 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.638 0.722 18720 7470 1 18 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.977 0.413 18720 7471 1 18 . 1 1 49 49 GLU N N 49 127.180 127.180 128.578 -1.398 18720 7472 1 18 . 1 1 49 49 GLU C C 49 174.140 174.140 175.213 -1.073 18720 7473 1 18 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.105 0.125 18720 7474 1 18 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.514 0.356 18720 7475 1 18 . 1 1 50 50 GLY N N 50 110.640 110.640 112.118 -1.478 18720 7476 1 18 . 1 1 50 50 GLY C C 50 171.360 171.360 171.895 -0.535 18720 7477 1 18 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.057 0.663 18720 7478 1 18 . 1 1 51 51 ALA N N 51 124.800 124.800 121.713 3.087 18720 7479 1 18 . 1 1 51 51 ALA C C 51 174.220 174.220 175.756 -1.536 18720 7480 1 18 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.142 1.528 18720 7481 1 18 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.580 -0.310 18720 7482 1 18 . 1 1 52 52 PHE N N 52 123.680 123.680 125.709 -2.029 18720 7483 1 18 . 1 1 52 52 PHE C C 52 173.650 173.650 173.412 0.238 18720 7484 1 18 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.427 -0.507 18720 7485 1 18 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.433 2.267 18720 7486 1 18 . 1 1 53 53 PHE N N 53 123.690 123.690 126.186 -2.496 18720 7487 1 18 . 1 1 53 53 PHE C C 53 174.760 174.760 174.096 0.664 18720 7488 1 18 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.669 0.851 18720 7489 1 18 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.718 -0.298 18720 7490 1 18 . 1 1 54 54 ILE N N 54 119.970 119.970 121.352 -1.382 18720 7491 1 18 . 1 1 54 54 ILE C C 54 175.240 175.240 174.719 0.521 18720 7492 1 18 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.876 -1.386 18720 7493 1 18 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.526 -0.636 18720 7494 1 18 . 1 1 55 55 TYR N N 55 125.670 125.670 126.705 -1.035 18720 7495 1 18 . 1 1 55 55 TYR C C 55 170.980 170.980 174.864 -3.884 18720 7496 1 18 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.540 0.780 18720 7497 1 18 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.853 2.127 18720 7498 1 18 . 1 1 56 56 HIS N N 56 121.710 121.710 122.846 -1.136 18720 7499 1 18 . 1 1 56 56 HIS C C 56 175.000 175.000 173.377 1.623 18720 7500 1 18 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.599 -1.869 18720 7501 1 18 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.538 -0.238 18720 7502 1 18 . 1 1 57 57 ARG N N 57 126.870 126.870 124.539 2.331 18720 7503 1 18 . 1 1 57 57 ARG C C 57 174.770 174.770 173.845 0.925 18720 7504 1 18 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.846 0.183 18720 7505 1 18 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.725 1.365 18720 7506 1 18 . 1 1 58 58 ASN N N 58 115.660 115.660 120.352 -4.692 18720 7507 1 18 . 1 1 58 58 ASN C C 58 173.540 173.540 174.162 -0.622 18720 7508 1 18 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.321 -0.551 18720 7509 1 18 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.496 1.684 18720 7510 1 18 . 1 1 59 59 ALA N N 59 120.190 120.190 120.974 -0.784 18720 7511 1 18 . 1 1 59 59 ALA C C 59 173.000 173.000 174.768 -1.768 18720 7512 1 18 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.880 -0.540 18720 7513 1 18 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.111 0.769 18720 7514 1 18 . 1 1 60 60 GLU N N 60 117.270 117.270 119.736 -2.466 18720 7515 1 18 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.699 -0.189 18720 7516 1 18 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.418 0.252 18720 7517 1 18 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.517 -0.457 18720 7518 1 18 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.425 1.204 18720 7519 1 18 . 1 1 62 62 PHE N N 62 120.680 120.680 119.306 1.374 18720 7520 1 18 . 1 1 62 62 PHE C C 62 174.840 174.840 175.589 -0.749 18720 7521 1 18 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.689 -0.909 18720 7522 1 18 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.752 -0.532 18720 7523 1 18 . 1 1 63 63 HIS N N 63 115.820 115.820 112.863 2.957 18720 7524 1 18 . 1 1 63 63 HIS C C 63 174.540 174.540 174.000 0.540 18720 7525 1 18 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.553 0.437 18720 7526 1 18 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.529 0.801 18720 7527 1 18 . 1 1 64 64 SER N N 64 114.040 114.040 116.609 -2.569 18720 7528 1 18 . 1 1 64 64 SER C C 64 169.620 169.620 172.182 -2.562 18720 7529 1 18 . 1 1 64 64 SER CA C 64 55.980 55.980 57.892 -1.912 18720 7530 1 18 . 1 1 64 64 SER CB C 64 66.770 66.770 65.707 1.063 18720 7531 1 18 . 1 1 65 65 ILE N N 65 125.090 125.090 122.874 2.216 18720 7532 1 18 . 1 1 65 65 ILE C C 65 174.630 174.630 173.879 0.751 18720 7533 1 18 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.623 -0.403 18720 7534 1 18 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.318 0.272 18720 7535 1 18 . 1 1 66 66 PHE N N 66 127.730 127.730 126.307 1.423 18720 7536 1 18 . 1 1 66 66 PHE C C 66 174.680 174.680 172.978 1.702 18720 7537 1 18 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.696 -0.396 18720 7538 1 18 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.033 1.997 18720 7539 1 18 . 1 1 67 67 ILE N N 67 124.780 124.780 124.318 0.462 18720 7540 1 18 . 1 1 67 67 ILE C C 67 174.180 174.180 173.682 0.498 18720 7541 1 18 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.679 -0.009 18720 7542 1 18 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.642 -0.923 18720 7543 1 18 . 1 1 68 68 ASN N N 68 124.620 124.620 124.690 -0.070 18720 7544 1 18 . 1 1 68 68 ASN C C 68 174.260 174.260 173.983 0.277 18720 7545 1 18 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.905 -0.835 18720 7546 1 18 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.624 -0.624 18720 7547 1 18 . 1 1 69 69 ASN N N 69 124.120 124.120 125.531 -1.411 18720 7548 1 18 . 1 1 69 69 ASN C C 69 175.740 175.740 176.062 -0.322 18720 7549 1 18 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.859 0.341 18720 7550 1 18 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.764 0.756 18720 7551 1 18 . 1 1 70 70 ARG N N 70 123.310 123.310 126.901 -3.591 18720 7552 1 18 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.996 -2.036 18720 7553 1 18 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.497 0.563 18720 7554 1 18 . 1 1 73 73 THR C C 73 175.310 175.310 173.135 2.175 18720 7555 1 18 . 1 1 73 73 THR CA C 73 62.320 62.320 63.665 -1.345 18720 7556 1 18 . 1 1 73 73 THR CB C 73 69.070 69.070 67.205 1.865 18720 7557 1 18 . 1 1 74 74 THR N N 74 119.010 119.010 116.392 2.618 18720 7558 1 18 . 1 1 74 74 THR C C 74 173.810 173.810 173.240 0.570 18720 7559 1 18 . 1 1 74 74 THR CA C 74 62.700 62.700 61.103 1.597 18720 7560 1 18 . 1 1 74 74 THR CB C 74 69.750 69.750 71.759 -2.009 18720 7561 1 18 . 1 1 75 75 SER N N 75 120.750 120.750 119.182 1.568 18720 7562 1 18 . 1 1 75 75 SER C C 75 172.250 172.250 173.479 -1.229 18720 7563 1 18 . 1 1 75 75 SER CA C 75 58.300 58.300 57.784 0.516 18720 7564 1 18 . 1 1 75 75 SER CB C 75 65.290 65.290 64.147 1.143 18720 7565 1 18 . 1 1 76 76 PHE N N 76 122.090 122.090 127.677 -5.587 18720 7566 1 18 . 1 1 76 76 PHE C C 76 172.040 172.040 172.757 -0.717 18720 7567 1 18 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.419 0.361 18720 7568 1 18 . 1 1 76 76 PHE CB C 76 43.300 43.300 41.841 1.459 18720 7569 1 18 . 1 1 77 77 VAL N N 77 124.490 124.490 126.101 -1.611 18720 7570 1 18 . 1 1 77 77 VAL C C 77 174.390 174.390 174.305 0.085 18720 7571 1 18 . 1 1 77 77 VAL CA C 77 59.740 59.740 60.593 -0.853 18720 7572 1 18 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.022 0.588 18720 7573 1 18 . 1 1 78 78 GLU N N 78 125.760 125.760 125.969 -0.209 18720 7574 1 18 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.909 -0.789 18720 7575 1 18 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.270 0.520 18720 7576 1 18 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.390 0.380 18720 7577 1 18 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.507 0.053 18720 7578 1 18 . 1 1 80 80 ILE N N 80 123.190 123.190 123.087 0.103 18720 7579 1 18 . 1 1 80 80 ILE C C 80 174.250 174.250 176.194 -1.944 18720 7580 1 18 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.200 0.220 18720 7581 1 18 . 1 1 80 80 ILE CB C 80 36.640 36.640 37.776 -1.136 18720 7582 1 18 . 1 1 81 81 THR N N 81 115.840 115.840 117.698 -1.858 18720 7583 1 18 . 1 1 81 81 THR C C 81 174.140 174.140 175.712 -1.572 18720 7584 1 18 . 1 1 81 81 THR CA C 81 59.500 59.500 60.727 -1.227 18720 7585 1 18 . 1 1 81 81 THR CB C 81 71.030 71.030 71.002 0.028 18720 7586 1 18 . 1 1 82 82 GLY N N 82 128.890 128.890 110.016 18.874 18720 7587 1 18 . 1 1 82 82 GLY C C 82 176.630 176.630 174.581 2.049 18720 7588 1 18 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.129 1.292 18720 7589 1 18 . 1 1 83 83 SER N N 83 113.780 113.780 115.711 -1.931 18720 7590 1 18 . 1 1 83 83 SER C C 83 173.410 173.410 174.696 -1.286 18720 7591 1 18 . 1 1 83 83 SER CA C 83 57.840 57.840 58.092 -0.252 18720 7592 1 18 . 1 1 83 83 SER CB C 83 63.480 63.480 63.897 -0.416 18720 7593 1 18 . 1 1 84 84 LEU N N 84 123.770 123.770 123.588 0.182 18720 7594 1 18 . 1 1 84 84 LEU C C 84 175.350 175.350 176.104 -0.754 18720 7595 1 18 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.278 0.852 18720 7596 1 18 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.569 0.120 18720 7597 1 18 . 1 1 85 85 GLU N N 85 124.380 124.380 123.109 1.271 18720 7598 1 18 . 1 1 85 85 GLU C C 85 174.280 174.280 174.839 -0.559 18720 7599 1 18 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.245 -0.375 18720 7600 1 18 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.340 1.080 18720 7601 1 18 . 1 1 86 86 LEU N N 86 121.400 121.400 124.764 -3.364 18720 7602 1 18 . 1 1 86 86 LEU C C 86 177.240 177.240 176.927 0.313 18720 7603 1 18 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.853 0.637 18720 7604 1 18 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.403 1.717 18720 7605 1 18 . 1 1 87 87 GLN N N 87 121.690 121.690 119.775 1.915 18720 7606 1 18 . 1 1 87 87 GLN C C 87 173.460 173.460 174.061 -0.601 18720 7607 1 18 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.619 1.461 18720 7608 1 18 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.171 -1.401 18720 7609 1 18 . 1 1 88 88 SER N N 88 120.000 120.000 117.506 2.494 18720 7610 1 18 . 1 1 88 88 SER C C 88 174.930 174.930 173.739 1.191 18720 7611 1 18 . 1 1 88 88 SER CA C 88 57.540 57.540 57.694 -0.154 18720 7612 1 18 . 1 1 88 88 SER CB C 88 63.750 63.750 63.074 0.676 18720 7613 1 18 . 1 1 89 89 GLN N N 89 129.170 129.170 127.144 2.026 18720 7614 1 18 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.592 1.028 18720 7615 1 18 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.690 -0.190 18720 7616 1 18 . 1 1 93 93 LEU C C 93 173.810 173.810 174.785 -0.975 18720 7617 1 18 . 1 1 93 93 LEU CA C 93 53.890 53.890 54.153 -0.263 18720 7618 1 18 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.586 0.204 18720 7619 1 18 . 1 1 94 94 LEU N N 94 125.950 125.950 128.008 -2.058 18720 7620 1 18 . 1 1 94 94 LEU C C 94 175.680 175.680 174.339 1.341 18720 7621 1 18 . 1 1 94 94 LEU CA C 94 54.970 54.970 54.072 0.898 18720 7622 1 18 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.359 -2.079 18720 7623 1 18 . 1 1 95 95 TYR N N 95 118.250 118.250 121.374 -3.124 18720 7624 1 18 . 1 1 95 95 TYR C C 95 171.830 171.830 173.444 -1.614 18720 7625 1 18 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.706 1.413 18720 7626 1 18 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.577 0.033 18720 7627 1 18 . 1 1 96 96 ARG N N 96 114.570 114.570 119.852 -5.282 18720 7628 1 18 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.910 -1.710 18720 7629 1 18 . 1 1 96 96 ARG CB C 96 32.980 32.980 33.137 -0.157 18720 7630 1 18 . 1 1 99 99 ARG C C 99 175.470 175.470 175.615 -0.145 18720 7631 1 18 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.580 0.800 18720 7632 1 18 . 1 1 100 100 SER N N 100 110.460 110.460 111.558 -1.098 18720 7633 1 18 . 1 1 100 100 SER C C 100 173.620 173.620 173.578 0.042 18720 7634 1 18 . 1 1 100 100 SER CA C 100 59.570 59.570 59.671 -0.101 18720 7635 1 18 . 1 1 100 100 SER CB C 100 62.640 62.640 62.541 0.099 18720 7636 1 18 . 1 1 101 101 ARG N N 101 119.500 119.500 119.500 0.000 18720 7637 1 18 . 1 1 101 101 ARG C C 101 174.900 174.900 174.637 0.263 18720 7638 1 18 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.649 -0.139 18720 7639 1 18 . 1 1 101 101 ARG CB C 101 30.470 30.470 31.906 -1.436 18720 7640 1 18 . 1 1 102 102 ILE N N 102 124.730 124.730 123.464 1.266 18720 7641 1 18 . 1 1 102 102 ILE C C 102 175.360 175.360 174.692 0.668 18720 7642 1 18 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.586 1.084 18720 7643 1 18 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.109 -0.379 18720 7644 1 18 . 1 1 103 103 ARG N N 103 130.770 130.770 125.673 5.097 18720 7645 1 18 . 1 1 103 103 ARG C C 103 173.480 173.480 174.642 -1.162 18720 7646 1 18 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.388 0.442 18720 7647 1 18 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.915 1.375 18720 7648 1 18 . 1 1 104 104 GLY N N 104 128.260 128.260 108.477 19.783 18720 7649 1 18 . 1 1 104 104 GLY C C 104 170.890 170.890 172.029 -1.139 18720 7650 1 18 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.561 1.879 18720 7651 1 18 . 1 1 105 105 PHE N N 105 118.120 118.120 118.304 -0.184 18720 7652 1 18 . 1 1 105 105 PHE C C 105 173.920 173.920 173.511 0.409 18720 7653 1 18 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.910 -2.251 18720 7654 1 18 . 1 1 105 105 PHE CB C 105 43.220 43.220 44.072 -0.851 18720 7655 1 18 . 1 1 106 106 TRP N N 106 124.290 124.290 123.483 0.807 18720 7656 1 18 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.166 0.244 18720 7657 1 18 . 1 1 106 106 TRP CB C 106 31.880 31.880 31.924 -0.044 18720 7658 1 18 . 1 1 110 110 SER C C 110 175.240 175.240 176.034 -0.794 18720 7659 1 18 . 1 1 110 110 SER CA C 110 62.920 62.920 61.004 1.916 18720 7660 1 18 . 1 1 110 110 SER CB C 110 64.980 64.980 63.236 1.744 18720 7661 1 18 . 1 1 111 111 GLU N N 111 122.310 122.310 120.520 1.790 18720 7662 1 18 . 1 1 111 111 GLU C C 111 179.150 179.150 178.538 0.612 18720 7663 1 18 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.158 0.382 18720 7664 1 18 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.125 -0.555 18720 7665 1 18 . 1 1 112 112 GLU N N 112 118.920 118.920 120.247 -1.327 18720 7666 1 18 . 1 1 112 112 GLU C C 112 176.360 176.360 178.052 -1.692 18720 7667 1 18 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.416 -1.336 18720 7668 1 18 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.436 0.804 18720 7669 1 18 . 1 1 113 113 CYS N N 113 117.090 117.090 117.440 -0.350 18720 7670 1 18 . 1 1 113 113 CYS C C 113 176.110 176.110 176.117 -0.007 18720 7671 1 18 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.509 -1.009 18720 7672 1 18 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.643 0.157 18720 7673 1 18 . 1 1 114 114 ASP N N 114 118.820 118.820 121.252 -2.432 18720 7674 1 18 . 1 1 114 114 ASP C C 114 178.460 178.460 178.033 0.427 18720 7675 1 18 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.055 0.285 18720 7676 1 18 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.636 0.434 18720 7677 1 18 . 1 1 115 115 ARG N N 115 120.870 120.870 119.555 1.315 18720 7678 1 18 . 1 1 115 115 ARG C C 115 179.440 179.440 178.601 0.839 18720 7679 1 18 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.364 0.286 18720 7680 1 18 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.035 0.665 18720 7681 1 18 . 1 1 116 116 ILE N N 116 119.500 119.500 118.578 0.922 18720 7682 1 18 . 1 1 116 116 ILE C C 116 177.680 177.680 177.860 -0.180 18720 7683 1 18 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.822 -1.882 18720 7684 1 18 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.633 -1.913 18720 7685 1 18 . 1 1 117 117 SER N N 117 115.890 115.890 115.922 -0.032 18720 7686 1 18 . 1 1 117 117 SER C C 117 176.720 176.720 176.794 -0.074 18720 7687 1 18 . 1 1 117 117 SER CA C 117 62.630 62.630 61.542 1.088 18720 7688 1 18 . 1 1 117 117 SER CB C 117 62.660 62.660 62.848 -0.188 18720 7689 1 18 . 1 1 118 118 GLY N N 118 130.780 130.780 110.691 20.089 18720 7690 1 18 . 1 1 118 118 GLY C C 118 176.570 176.570 175.867 0.703 18720 7691 1 18 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.028 0.062 18720 7692 1 18 . 1 1 119 119 LEU N N 119 124.450 124.450 122.488 1.962 18720 7693 1 18 . 1 1 119 119 LEU C C 119 179.470 179.470 179.011 0.459 18720 7694 1 18 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.835 -0.025 18720 7695 1 18 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.797 0.513 18720 7696 1 18 . 1 1 120 120 VAL N N 120 119.140 119.140 119.317 -0.177 18720 7697 1 18 . 1 1 120 120 VAL C C 120 177.380 177.380 178.262 -0.882 18720 7698 1 18 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.317 1.113 18720 7699 1 18 . 1 1 120 120 VAL CB C 120 30.870 30.870 30.761 0.109 18720 7700 1 18 . 1 1 121 121 ASN N N 121 116.650 116.650 118.399 -1.749 18720 7701 1 18 . 1 1 121 121 ASN C C 121 178.330 178.330 177.937 0.393 18720 7702 1 18 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.239 0.431 18720 7703 1 18 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.782 0.778 18720 7704 1 18 . 1 1 122 122 GLY N N 122 129.450 129.450 108.623 20.827 18720 7705 1 18 . 1 1 122 122 GLY C C 122 176.190 176.190 176.039 0.151 18720 7706 1 18 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.850 -0.070 18720 7707 1 18 . 1 1 123 123 LEU N N 123 121.510 121.510 122.041 -0.531 18720 7708 1 18 . 1 1 123 123 LEU C C 123 179.060 179.060 179.391 -0.331 18720 7709 1 18 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.352 -0.962 18720 7710 1 18 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.576 0.014 18720 7711 1 18 . 1 1 124 124 LEU N N 124 119.080 119.080 117.073 2.007 18720 7712 1 18 . 1 1 124 124 LEU C C 124 177.880 177.880 178.318 -0.438 18720 7713 1 18 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.341 -1.061 18720 7714 1 18 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.812 0.488 18720 7715 1 18 . 1 1 125 125 LYS N N 125 118.600 118.600 114.631 3.969 18720 7716 1 18 . 1 1 125 125 LYS C C 125 176.540 176.540 176.976 -0.436 18720 7717 1 18 . 1 1 125 125 LYS CA C 125 56.470 56.470 56.545 -0.075 18720 7718 1 18 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.960 -0.230 18720 7719 1 18 . 1 1 126 126 SER N N 126 116.570 116.570 115.437 1.133 18720 7720 1 18 . 1 1 126 126 SER C C 126 173.590 173.590 173.989 -0.399 18720 7721 1 18 . 1 1 126 126 SER CA C 126 58.550 58.550 57.340 1.210 18720 7722 1 18 . 1 1 126 126 SER CB C 126 63.880 63.880 64.909 -1.029 18720 7723 1 19 . 1 1 2 2 ALA N N 2 123.960 123.960 125.231 -1.271 18720 7724 1 19 . 1 1 2 2 ALA C C 2 177.620 177.620 177.226 0.394 18720 7725 1 19 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.976 0.934 18720 7726 1 19 . 1 1 2 2 ALA CB C 2 19.050 19.050 19.431 -0.381 18720 7727 1 19 . 1 1 3 3 ASP N N 3 119.570 119.570 122.412 -2.842 18720 7728 1 19 . 1 1 3 3 ASP C C 3 177.150 177.150 177.770 -0.620 18720 7729 1 19 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.260 1.540 18720 7730 1 19 . 1 1 3 3 ASP CB C 3 41.610 41.610 42.454 -0.844 18720 7731 1 19 . 1 1 4 4 GLU N N 4 123.110 123.110 121.609 1.501 18720 7732 1 19 . 1 1 4 4 GLU C C 4 177.710 177.710 178.175 -0.465 18720 7733 1 19 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.267 -0.877 18720 7734 1 19 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.518 0.282 18720 7735 1 19 . 1 1 5 5 SER N N 5 116.020 116.020 115.678 0.342 18720 7736 1 19 . 1 1 5 5 SER CA C 5 60.870 60.870 61.188 -0.318 18720 7737 1 19 . 1 1 5 5 SER CB C 5 62.940 62.940 62.579 0.361 18720 7738 1 19 . 1 1 6 6 ILE N N 6 123.790 123.790 122.472 1.318 18720 7739 1 19 . 1 1 6 6 ILE C C 6 178.180 178.180 178.313 -0.133 18720 7740 1 19 . 1 1 6 6 ILE CA C 6 63.670 63.670 62.827 0.843 18720 7741 1 19 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.400 1.260 18720 7742 1 19 . 1 1 7 7 THR N N 7 117.450 117.450 116.406 1.044 18720 7743 1 19 . 1 1 7 7 THR C C 7 176.030 176.030 176.492 -0.462 18720 7744 1 19 . 1 1 7 7 THR CA C 7 66.370 66.370 66.746 -0.376 18720 7745 1 19 . 1 1 7 7 THR CB C 7 68.640 68.640 68.290 0.350 18720 7746 1 19 . 1 1 8 8 ARG N N 8 120.770 120.770 122.090 -1.320 18720 7747 1 19 . 1 1 8 8 ARG C C 8 179.040 179.040 178.522 0.518 18720 7748 1 19 . 1 1 8 8 ARG CA C 8 59.390 59.390 58.870 0.520 18720 7749 1 19 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.759 0.231 18720 7750 1 19 . 1 1 9 9 MET N N 9 119.840 119.840 118.467 1.373 18720 7751 1 19 . 1 1 9 9 MET C C 9 178.760 178.760 178.448 0.312 18720 7752 1 19 . 1 1 9 9 MET CA C 9 58.240 58.240 59.578 -1.338 18720 7753 1 19 . 1 1 9 9 MET CB C 9 31.970 31.970 32.142 -0.172 18720 7754 1 19 . 1 1 10 10 ASN N N 10 120.190 120.190 118.673 1.517 18720 7755 1 19 . 1 1 10 10 ASN C C 10 176.660 176.660 177.773 -1.113 18720 7756 1 19 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.007 -0.367 18720 7757 1 19 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.204 0.106 18720 7758 1 19 . 1 1 11 11 LEU N N 11 121.490 121.490 121.187 0.303 18720 7759 1 19 . 1 1 11 11 LEU C C 11 177.690 177.690 177.944 -0.254 18720 7760 1 19 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.824 -0.434 18720 7761 1 19 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.514 -0.534 18720 7762 1 19 . 1 1 12 12 ALA N N 12 120.380 120.380 121.580 -1.200 18720 7763 1 19 . 1 1 12 12 ALA C C 12 179.910 179.910 179.461 0.449 18720 7764 1 19 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.107 -0.217 18720 7765 1 19 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.929 -0.369 18720 7766 1 19 . 1 1 13 13 ALA N N 13 119.960 119.960 121.036 -1.076 18720 7767 1 19 . 1 1 13 13 ALA C C 13 179.740 179.740 179.990 -0.250 18720 7768 1 19 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.626 0.204 18720 7769 1 19 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.254 -0.734 18720 7770 1 19 . 1 1 14 14 ILE N N 14 118.040 118.040 119.895 -1.855 18720 7771 1 19 . 1 1 14 14 ILE C C 14 178.220 178.220 177.763 0.457 18720 7772 1 19 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.132 -0.772 18720 7773 1 19 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.304 -0.164 18720 7774 1 19 . 1 1 15 15 LYS N N 15 118.740 118.740 117.769 0.971 18720 7775 1 19 . 1 1 15 15 LYS C C 15 177.440 177.440 178.832 -1.392 18720 7776 1 19 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.731 -0.911 18720 7777 1 19 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.909 0.981 18720 7778 1 19 . 1 1 16 16 LYS N N 16 115.750 115.750 118.452 -2.702 18720 7779 1 19 . 1 1 16 16 LYS C C 16 177.060 177.060 177.789 -0.729 18720 7780 1 19 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.716 -0.156 18720 7781 1 19 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.417 0.173 18720 7782 1 19 . 1 1 17 17 ILE N N 17 115.830 115.830 116.302 -0.472 18720 7783 1 19 . 1 1 17 17 ILE C C 17 175.500 175.500 176.511 -1.011 18720 7784 1 19 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.428 -0.988 18720 7785 1 19 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.307 -0.347 18720 7786 1 19 . 1 1 18 18 ASP N N 18 119.320 119.320 122.092 -2.772 18720 7787 1 19 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.478 -0.738 18720 7788 1 19 . 1 1 18 18 ASP CB C 18 40.710 40.710 41.919 -1.209 18720 7789 1 19 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.072 -0.472 18720 7790 1 19 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.789 0.221 18720 7791 1 19 . 1 1 20 20 TYR N N 20 115.540 115.540 113.004 2.536 18720 7792 1 19 . 1 1 20 20 TYR C C 20 175.350 175.350 174.675 0.675 18720 7793 1 19 . 1 1 20 20 TYR CA C 20 57.810 57.810 54.916 2.894 18720 7794 1 19 . 1 1 20 20 TYR CB C 20 37.140 37.140 37.005 0.135 18720 7795 1 19 . 1 1 21 21 ALA N N 21 122.720 122.720 123.747 -1.027 18720 7796 1 19 . 1 1 21 21 ALA C C 21 175.410 175.410 175.885 -0.475 18720 7797 1 19 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.134 3.196 18720 7798 1 19 . 1 1 21 21 ALA CB C 21 20.690 20.690 18.873 1.817 18720 7799 1 19 . 1 1 22 22 LYS N N 22 121.370 121.370 124.700 -3.330 18720 7800 1 19 . 1 1 22 22 LYS C C 22 175.400 175.400 176.342 -0.942 18720 7801 1 19 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.809 0.011 18720 7802 1 19 . 1 1 22 22 LYS CB C 22 35.860 35.860 33.998 1.862 18720 7803 1 19 . 1 1 23 23 GLU N N 23 113.820 113.820 116.932 -3.112 18720 7804 1 19 . 1 1 23 23 GLU C C 23 174.470 174.470 174.606 -0.136 18720 7805 1 19 . 1 1 23 23 GLU CA C 23 55.330 55.330 54.941 0.390 18720 7806 1 19 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.951 0.089 18720 7807 1 19 . 1 1 24 24 ILE N N 24 125.650 125.650 121.817 3.833 18720 7808 1 19 . 1 1 24 24 ILE C C 24 175.360 175.360 176.543 -1.183 18720 7809 1 19 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.686 1.084 18720 7810 1 19 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.229 -0.619 18720 7811 1 19 . 1 1 25 25 VAL N N 25 127.290 127.290 126.147 1.143 18720 7812 1 19 . 1 1 25 25 VAL C C 25 175.240 175.240 176.037 -0.797 18720 7813 1 19 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.106 -0.486 18720 7814 1 19 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.884 0.456 18720 7815 1 19 . 1 1 26 26 ASP N N 26 117.410 117.410 117.249 0.161 18720 7816 1 19 . 1 1 26 26 ASP C C 26 174.000 174.000 173.522 0.478 18720 7817 1 19 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.175 -0.145 18720 7818 1 19 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.481 0.229 18720 7819 1 19 . 1 1 27 27 SER N N 27 115.600 115.600 117.004 -1.404 18720 7820 1 19 . 1 1 27 27 SER C C 27 172.420 172.420 172.979 -0.559 18720 7821 1 19 . 1 1 27 27 SER CA C 27 57.200 57.200 56.781 0.419 18720 7822 1 19 . 1 1 27 27 SER CB C 27 67.230 67.230 65.862 1.369 18720 7823 1 19 . 1 1 28 28 SER N N 28 113.820 113.820 118.919 -5.099 18720 7824 1 19 . 1 1 28 28 SER C C 28 176.140 176.140 175.273 0.867 18720 7825 1 19 . 1 1 28 28 SER CA C 28 57.840 57.840 56.026 1.814 18720 7826 1 19 . 1 1 28 28 SER CB C 28 65.830 65.830 65.229 0.601 18720 7827 1 19 . 1 1 29 29 SER N N 29 121.670 121.670 123.273 -1.603 18720 7828 1 19 . 1 1 29 29 SER CA C 29 61.900 61.900 61.325 0.575 18720 7829 1 19 . 1 1 29 29 SER CB C 29 63.720 63.720 63.590 0.130 18720 7830 1 19 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.018 0.612 18720 7831 1 19 . 1 1 31 31 VAL N N 31 127.450 127.450 125.836 1.614 18720 7832 1 19 . 1 1 31 31 VAL C C 31 173.480 173.480 173.173 0.307 18720 7833 1 19 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.688 -0.358 18720 7834 1 19 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.533 0.007 18720 7835 1 19 . 1 1 32 32 ALA N N 32 125.580 125.580 126.640 -1.060 18720 7836 1 19 . 1 1 32 32 ALA C C 32 175.260 175.260 175.180 0.080 18720 7837 1 19 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.762 1.048 18720 7838 1 19 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.031 -0.011 18720 7839 1 19 . 1 1 33 33 PHE N N 33 123.530 123.530 122.453 1.077 18720 7840 1 19 . 1 1 33 33 PHE C C 33 174.210 174.210 173.533 0.677 18720 7841 1 19 . 1 1 33 33 PHE CA C 33 56.050 56.050 57.111 -1.062 18720 7842 1 19 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.930 -0.910 18720 7843 1 19 . 1 1 34 34 TYR N N 34 130.040 130.040 125.630 4.410 18720 7844 1 19 . 1 1 34 34 TYR C C 34 173.300 173.300 175.120 -1.820 18720 7845 1 19 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.967 0.534 18720 7846 1 19 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.775 1.375 18720 7847 1 19 . 1 1 35 35 THR N N 35 109.080 109.080 118.194 -9.114 18720 7848 1 19 . 1 1 35 35 THR C C 35 172.150 172.150 172.766 -0.616 18720 7849 1 19 . 1 1 35 35 THR CA C 35 59.670 59.670 61.892 -2.222 18720 7850 1 19 . 1 1 35 35 THR CB C 35 70.820 70.820 71.510 -0.690 18720 7851 1 19 . 1 1 36 36 PHE N N 36 126.090 126.090 125.375 0.715 18720 7852 1 19 . 1 1 36 36 PHE C C 36 173.570 173.570 173.603 -0.033 18720 7853 1 19 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.323 1.587 18720 7854 1 19 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.656 -2.886 18720 7855 1 19 . 1 1 37 37 ASN N N 37 128.500 128.500 124.992 3.508 18720 7856 1 19 . 1 1 37 37 ASN C C 37 175.280 175.280 175.552 -0.272 18720 7857 1 19 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.216 0.314 18720 7858 1 19 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.251 -1.521 18720 7859 1 19 . 1 1 38 38 SER N N 38 121.880 121.880 122.437 -0.557 18720 7860 1 19 . 1 1 38 38 SER CB C 38 63.050 63.050 63.139 -0.089 18720 7861 1 19 . 1 1 39 39 SER C C 39 175.410 175.410 176.228 -0.818 18720 7862 1 19 . 1 1 39 39 SER CA C 39 61.020 61.020 60.610 0.410 18720 7863 1 19 . 1 1 39 39 SER CB C 39 62.700 62.700 63.311 -0.611 18720 7864 1 19 . 1 1 40 40 GLN N N 40 117.370 117.370 119.476 -2.106 18720 7865 1 19 . 1 1 40 40 GLN C C 40 174.910 174.910 175.863 -0.953 18720 7866 1 19 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.542 -0.742 18720 7867 1 19 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.551 0.259 18720 7868 1 19 . 1 1 41 41 ASN N N 41 118.400 118.400 116.172 2.228 18720 7869 1 19 . 1 1 41 41 ASN C C 41 173.240 173.240 173.448 -0.208 18720 7870 1 19 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.154 0.046 18720 7871 1 19 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.677 -0.037 18720 7872 1 19 . 1 1 42 42 GLU N N 42 112.910 112.910 115.951 -3.041 18720 7873 1 19 . 1 1 42 42 GLU C C 42 174.620 174.620 174.354 0.266 18720 7874 1 19 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.981 -0.871 18720 7875 1 19 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.588 0.862 18720 7876 1 19 . 1 1 43 43 TRP N N 43 123.140 123.140 121.003 2.137 18720 7877 1 19 . 1 1 43 43 TRP C C 43 175.850 175.850 176.680 -0.830 18720 7878 1 19 . 1 1 43 43 TRP CA C 43 57.640 57.640 56.981 0.659 18720 7879 1 19 . 1 1 43 43 TRP CB C 43 31.610 31.610 31.007 0.603 18720 7880 1 19 . 1 1 44 44 GLU N N 44 120.660 120.660 124.004 -3.344 18720 7881 1 19 . 1 1 44 44 GLU C C 44 175.030 175.030 175.236 -0.206 18720 7882 1 19 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.758 0.362 18720 7883 1 19 . 1 1 44 44 GLU CB C 44 32.110 32.110 33.273 -1.163 18720 7884 1 19 . 1 1 45 45 LYS N N 45 123.100 123.100 127.484 -4.384 18720 7885 1 19 . 1 1 45 45 LYS C C 45 176.810 176.810 176.667 0.143 18720 7886 1 19 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.469 0.491 18720 7887 1 19 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.960 0.380 18720 7888 1 19 . 1 1 46 46 THR N N 46 114.570 114.570 118.597 -4.027 18720 7889 1 19 . 1 1 46 46 THR C C 46 174.130 174.130 174.721 -0.591 18720 7890 1 19 . 1 1 46 46 THR CA C 46 61.720 61.720 60.453 1.267 18720 7891 1 19 . 1 1 46 46 THR CB C 46 71.720 71.720 70.149 1.571 18720 7892 1 19 . 1 1 47 47 ASP N N 47 118.590 118.590 117.903 0.687 18720 7893 1 19 . 1 1 47 47 ASP C C 47 174.390 174.390 175.667 -1.277 18720 7894 1 19 . 1 1 47 47 ASP CA C 47 53.910 53.910 53.853 0.057 18720 7895 1 19 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.255 -0.385 18720 7896 1 19 . 1 1 48 48 VAL N N 48 118.730 118.730 121.799 -3.069 18720 7897 1 19 . 1 1 48 48 VAL C C 48 174.840 174.840 173.768 1.072 18720 7898 1 19 . 1 1 48 48 VAL CA C 48 62.360 62.360 62.003 0.357 18720 7899 1 19 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.902 0.488 18720 7900 1 19 . 1 1 49 49 GLU N N 49 127.180 127.180 128.529 -1.349 18720 7901 1 19 . 1 1 49 49 GLU C C 49 174.140 174.140 175.222 -1.082 18720 7902 1 19 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.112 0.118 18720 7903 1 19 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.592 0.278 18720 7904 1 19 . 1 1 50 50 GLY N N 50 110.640 110.640 112.130 -1.490 18720 7905 1 19 . 1 1 50 50 GLY C C 50 171.360 171.360 171.898 -0.538 18720 7906 1 19 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.059 0.662 18720 7907 1 19 . 1 1 51 51 ALA N N 51 124.800 124.800 121.826 2.974 18720 7908 1 19 . 1 1 51 51 ALA C C 51 174.220 174.220 175.752 -1.532 18720 7909 1 19 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.238 1.432 18720 7910 1 19 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.834 -0.564 18720 7911 1 19 . 1 1 52 52 PHE N N 52 123.680 123.680 125.393 -1.713 18720 7912 1 19 . 1 1 52 52 PHE C C 52 173.650 173.650 173.406 0.244 18720 7913 1 19 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.406 -0.486 18720 7914 1 19 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.447 2.253 18720 7915 1 19 . 1 1 53 53 PHE N N 53 123.690 123.690 126.140 -2.450 18720 7916 1 19 . 1 1 53 53 PHE C C 53 174.760 174.760 174.072 0.688 18720 7917 1 19 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.655 0.865 18720 7918 1 19 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.725 -0.305 18720 7919 1 19 . 1 1 54 54 ILE N N 54 119.970 119.970 121.389 -1.419 18720 7920 1 19 . 1 1 54 54 ILE C C 54 175.240 175.240 174.734 0.506 18720 7921 1 19 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.866 -1.376 18720 7922 1 19 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.526 -0.636 18720 7923 1 19 . 1 1 55 55 TYR N N 55 125.670 125.670 126.840 -1.170 18720 7924 1 19 . 1 1 55 55 TYR C C 55 170.980 170.980 174.847 -3.867 18720 7925 1 19 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.543 0.777 18720 7926 1 19 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.796 2.184 18720 7927 1 19 . 1 1 56 56 HIS N N 56 121.710 121.710 123.225 -1.515 18720 7928 1 19 . 1 1 56 56 HIS C C 56 175.000 175.000 173.457 1.543 18720 7929 1 19 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.816 -2.086 18720 7930 1 19 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.580 -0.280 18720 7931 1 19 . 1 1 57 57 ARG N N 57 126.870 126.870 123.525 3.345 18720 7932 1 19 . 1 1 57 57 ARG C C 57 174.770 174.770 174.536 0.234 18720 7933 1 19 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.152 0.878 18720 7934 1 19 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.424 1.666 18720 7935 1 19 . 1 1 58 58 ASN N N 58 115.660 115.660 121.838 -6.178 18720 7936 1 19 . 1 1 58 58 ASN C C 58 173.540 173.540 174.031 -0.491 18720 7937 1 19 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.166 -0.396 18720 7938 1 19 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.920 1.260 18720 7939 1 19 . 1 1 59 59 ALA N N 59 120.190 120.190 121.088 -0.898 18720 7940 1 19 . 1 1 59 59 ALA C C 59 173.000 173.000 174.500 -1.500 18720 7941 1 19 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.755 -0.415 18720 7942 1 19 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.161 0.719 18720 7943 1 19 . 1 1 60 60 GLU N N 60 117.270 117.270 119.999 -2.729 18720 7944 1 19 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.332 0.178 18720 7945 1 19 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.921 -0.251 18720 7946 1 19 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.275 -0.215 18720 7947 1 19 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.309 1.321 18720 7948 1 19 . 1 1 62 62 PHE N N 62 120.680 120.680 119.512 1.168 18720 7949 1 19 . 1 1 62 62 PHE C C 62 174.840 174.840 175.631 -0.791 18720 7950 1 19 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.702 -0.922 18720 7951 1 19 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.811 -0.591 18720 7952 1 19 . 1 1 63 63 HIS N N 63 115.820 115.820 113.186 2.634 18720 7953 1 19 . 1 1 63 63 HIS C C 63 174.540 174.540 173.933 0.607 18720 7954 1 19 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.689 0.301 18720 7955 1 19 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.495 0.835 18720 7956 1 19 . 1 1 64 64 SER N N 64 114.040 114.040 116.805 -2.765 18720 7957 1 19 . 1 1 64 64 SER C C 64 169.620 169.620 172.345 -2.725 18720 7958 1 19 . 1 1 64 64 SER CA C 64 55.980 55.980 57.684 -1.704 18720 7959 1 19 . 1 1 64 64 SER CB C 64 66.770 66.770 65.608 1.162 18720 7960 1 19 . 1 1 65 65 ILE N N 65 125.090 125.090 122.908 2.182 18720 7961 1 19 . 1 1 65 65 ILE C C 65 174.630 174.630 173.940 0.690 18720 7962 1 19 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.675 -0.455 18720 7963 1 19 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.556 0.034 18720 7964 1 19 . 1 1 66 66 PHE N N 66 127.730 127.730 126.495 1.235 18720 7965 1 19 . 1 1 66 66 PHE C C 66 174.680 174.680 172.988 1.692 18720 7966 1 19 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.696 -0.396 18720 7967 1 19 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.088 1.942 18720 7968 1 19 . 1 1 67 67 ILE N N 67 124.780 124.780 124.364 0.416 18720 7969 1 19 . 1 1 67 67 ILE C C 67 174.180 174.180 173.664 0.516 18720 7970 1 19 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.684 -0.014 18720 7971 1 19 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.590 -0.870 18720 7972 1 19 . 1 1 68 68 ASN N N 68 124.620 124.620 124.758 -0.138 18720 7973 1 19 . 1 1 68 68 ASN C C 68 174.260 174.260 174.014 0.246 18720 7974 1 19 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.851 -0.781 18720 7975 1 19 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.628 -0.628 18720 7976 1 19 . 1 1 69 69 ASN N N 69 124.120 124.120 125.545 -1.425 18720 7977 1 19 . 1 1 69 69 ASN C C 69 175.740 175.740 175.720 0.020 18720 7978 1 19 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.989 0.211 18720 7979 1 19 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.862 0.658 18720 7980 1 19 . 1 1 70 70 ARG N N 70 123.310 123.310 127.998 -4.688 18720 7981 1 19 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.840 -1.880 18720 7982 1 19 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.581 0.479 18720 7983 1 19 . 1 1 73 73 THR C C 73 175.310 175.310 173.200 2.110 18720 7984 1 19 . 1 1 73 73 THR CA C 73 62.320 62.320 63.836 -1.516 18720 7985 1 19 . 1 1 73 73 THR CB C 73 69.070 69.070 66.977 2.093 18720 7986 1 19 . 1 1 74 74 THR N N 74 119.010 119.010 116.193 2.817 18720 7987 1 19 . 1 1 74 74 THR C C 74 173.810 173.810 173.538 0.272 18720 7988 1 19 . 1 1 74 74 THR CA C 74 62.700 62.700 61.686 1.014 18720 7989 1 19 . 1 1 74 74 THR CB C 74 69.750 69.750 72.149 -2.399 18720 7990 1 19 . 1 1 75 75 SER N N 75 120.750 120.750 119.932 0.818 18720 7991 1 19 . 1 1 75 75 SER C C 75 172.250 172.250 173.658 -1.408 18720 7992 1 19 . 1 1 75 75 SER CA C 75 58.300 58.300 57.998 0.302 18720 7993 1 19 . 1 1 75 75 SER CB C 75 65.290 65.290 64.101 1.189 18720 7994 1 19 . 1 1 76 76 PHE N N 76 122.090 122.090 127.521 -5.431 18720 7995 1 19 . 1 1 76 76 PHE C C 76 172.040 172.040 172.857 -0.817 18720 7996 1 19 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.250 0.530 18720 7997 1 19 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.037 1.263 18720 7998 1 19 . 1 1 77 77 VAL N N 77 124.490 124.490 125.800 -1.310 18720 7999 1 19 . 1 1 77 77 VAL C C 77 174.390 174.390 174.259 0.131 18720 8000 1 19 . 1 1 77 77 VAL CA C 77 59.740 59.740 60.634 -0.894 18720 8001 1 19 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.172 0.438 18720 8002 1 19 . 1 1 78 78 GLU N N 78 125.760 125.760 126.164 -0.404 18720 8003 1 19 . 1 1 78 78 GLU CA C 78 52.120 52.120 53.101 -0.981 18720 8004 1 19 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.501 0.289 18720 8005 1 19 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.389 0.381 18720 8006 1 19 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.813 -0.253 18720 8007 1 19 . 1 1 80 80 ILE N N 80 123.190 123.190 123.440 -0.250 18720 8008 1 19 . 1 1 80 80 ILE C C 80 174.250 174.250 175.983 -1.733 18720 8009 1 19 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.700 -0.280 18720 8010 1 19 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.457 -1.817 18720 8011 1 19 . 1 1 81 81 THR N N 81 115.840 115.840 118.007 -2.167 18720 8012 1 19 . 1 1 81 81 THR C C 81 174.140 174.140 175.158 -1.018 18720 8013 1 19 . 1 1 81 81 THR CA C 81 59.500 59.500 60.646 -1.146 18720 8014 1 19 . 1 1 81 81 THR CB C 81 71.030 71.030 71.642 -0.612 18720 8015 1 19 . 1 1 82 82 GLY N N 82 128.890 128.890 109.274 19.616 18720 8016 1 19 . 1 1 82 82 GLY C C 82 176.630 176.630 174.414 2.216 18720 8017 1 19 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.117 1.303 18720 8018 1 19 . 1 1 83 83 SER N N 83 113.780 113.780 116.358 -2.578 18720 8019 1 19 . 1 1 83 83 SER C C 83 173.410 173.410 174.876 -1.466 18720 8020 1 19 . 1 1 83 83 SER CA C 83 57.840 57.840 58.360 -0.520 18720 8021 1 19 . 1 1 83 83 SER CB C 83 63.480 63.480 64.151 -0.671 18720 8022 1 19 . 1 1 84 84 LEU N N 84 123.770 123.770 123.785 -0.015 18720 8023 1 19 . 1 1 84 84 LEU C C 84 175.350 175.350 175.991 -0.641 18720 8024 1 19 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.367 0.763 18720 8025 1 19 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.642 0.049 18720 8026 1 19 . 1 1 85 85 GLU N N 85 124.380 124.380 122.776 1.604 18720 8027 1 19 . 1 1 85 85 GLU C C 85 174.280 174.280 174.828 -0.548 18720 8028 1 19 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.305 -0.435 18720 8029 1 19 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.279 1.141 18720 8030 1 19 . 1 1 86 86 LEU N N 86 121.400 121.400 124.658 -3.258 18720 8031 1 19 . 1 1 86 86 LEU C C 86 177.240 177.240 176.861 0.379 18720 8032 1 19 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.772 0.718 18720 8033 1 19 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.574 1.546 18720 8034 1 19 . 1 1 87 87 GLN N N 87 121.690 121.690 119.643 2.047 18720 8035 1 19 . 1 1 87 87 GLN C C 87 173.460 173.460 174.086 -0.626 18720 8036 1 19 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.640 1.440 18720 8037 1 19 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.147 -1.377 18720 8038 1 19 . 1 1 88 88 SER N N 88 120.000 120.000 118.038 1.962 18720 8039 1 19 . 1 1 88 88 SER C C 88 174.930 174.930 173.662 1.268 18720 8040 1 19 . 1 1 88 88 SER CA C 88 57.540 57.540 57.958 -0.418 18720 8041 1 19 . 1 1 88 88 SER CB C 88 63.750 63.750 63.075 0.675 18720 8042 1 19 . 1 1 89 89 GLN N N 89 129.170 129.170 127.250 1.920 18720 8043 1 19 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.578 1.042 18720 8044 1 19 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.738 -0.238 18720 8045 1 19 . 1 1 93 93 LEU C C 93 173.810 173.810 174.416 -0.606 18720 8046 1 19 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.891 -0.001 18720 8047 1 19 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.425 0.365 18720 8048 1 19 . 1 1 94 94 LEU N N 94 125.950 125.950 128.198 -2.248 18720 8049 1 19 . 1 1 94 94 LEU C C 94 175.680 175.680 174.337 1.343 18720 8050 1 19 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.838 1.132 18720 8051 1 19 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.243 -1.963 18720 8052 1 19 . 1 1 95 95 TYR N N 95 118.250 118.250 121.210 -2.960 18720 8053 1 19 . 1 1 95 95 TYR C C 95 171.830 171.830 173.386 -1.556 18720 8054 1 19 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.322 1.798 18720 8055 1 19 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.151 0.459 18720 8056 1 19 . 1 1 96 96 ARG N N 96 114.570 114.570 119.639 -5.069 18720 8057 1 19 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.767 -1.567 18720 8058 1 19 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.837 0.144 18720 8059 1 19 . 1 1 99 99 ARG C C 99 175.470 175.470 175.594 -0.124 18720 8060 1 19 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.532 0.848 18720 8061 1 19 . 1 1 100 100 SER N N 100 110.460 110.460 109.428 1.032 18720 8062 1 19 . 1 1 100 100 SER C C 100 173.620 173.620 173.741 -0.121 18720 8063 1 19 . 1 1 100 100 SER CA C 100 59.570 59.570 59.578 -0.007 18720 8064 1 19 . 1 1 100 100 SER CB C 100 62.640 62.640 62.197 0.443 18720 8065 1 19 . 1 1 101 101 ARG N N 101 119.500 119.500 119.593 -0.093 18720 8066 1 19 . 1 1 101 101 ARG C C 101 174.900 174.900 174.374 0.526 18720 8067 1 19 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.468 0.042 18720 8068 1 19 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.356 -1.886 18720 8069 1 19 . 1 1 102 102 ILE N N 102 124.730 124.730 122.006 2.724 18720 8070 1 19 . 1 1 102 102 ILE C C 102 175.360 175.360 174.715 0.645 18720 8071 1 19 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.498 1.172 18720 8072 1 19 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.455 -0.725 18720 8073 1 19 . 1 1 103 103 ARG N N 103 130.770 130.770 124.899 5.871 18720 8074 1 19 . 1 1 103 103 ARG C C 103 173.480 173.480 174.411 -0.931 18720 8075 1 19 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.074 0.756 18720 8076 1 19 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.676 1.614 18720 8077 1 19 . 1 1 104 104 GLY N N 104 128.260 128.260 107.560 20.700 18720 8078 1 19 . 1 1 104 104 GLY C C 104 170.890 170.890 171.377 -0.487 18720 8079 1 19 . 1 1 104 104 GLY CA C 104 46.440 46.440 43.978 2.462 18720 8080 1 19 . 1 1 105 105 PHE N N 105 118.120 118.120 117.434 0.686 18720 8081 1 19 . 1 1 105 105 PHE C C 105 173.920 173.920 173.712 0.208 18720 8082 1 19 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.495 -1.835 18720 8083 1 19 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.618 -0.398 18720 8084 1 19 . 1 1 106 106 TRP N N 106 124.290 124.290 123.826 0.464 18720 8085 1 19 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.925 -0.514 18720 8086 1 19 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.408 -0.528 18720 8087 1 19 . 1 1 110 110 SER C C 110 175.240 175.240 175.781 -0.541 18720 8088 1 19 . 1 1 110 110 SER CA C 110 62.920 62.920 61.737 1.183 18720 8089 1 19 . 1 1 110 110 SER CB C 110 64.980 64.980 63.311 1.669 18720 8090 1 19 . 1 1 111 111 GLU N N 111 122.310 122.310 119.941 2.369 18720 8091 1 19 . 1 1 111 111 GLU C C 111 179.150 179.150 178.624 0.526 18720 8092 1 19 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.138 0.402 18720 8093 1 19 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.425 -0.855 18720 8094 1 19 . 1 1 112 112 GLU N N 112 118.920 118.920 120.145 -1.225 18720 8095 1 19 . 1 1 112 112 GLU C C 112 176.360 176.360 178.437 -2.077 18720 8096 1 19 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.113 -1.033 18720 8097 1 19 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.491 0.749 18720 8098 1 19 . 1 1 113 113 CYS N N 113 117.090 117.090 117.437 -0.347 18720 8099 1 19 . 1 1 113 113 CYS C C 113 176.110 176.110 176.262 -0.152 18720 8100 1 19 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.362 -0.862 18720 8101 1 19 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.107 0.693 18720 8102 1 19 . 1 1 114 114 ASP N N 114 118.820 118.820 120.603 -1.783 18720 8103 1 19 . 1 1 114 114 ASP C C 114 178.460 178.460 178.584 -0.124 18720 8104 1 19 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.426 -0.086 18720 8105 1 19 . 1 1 114 114 ASP CB C 114 41.070 41.070 39.929 1.141 18720 8106 1 19 . 1 1 115 115 ARG N N 115 120.870 120.870 120.151 0.719 18720 8107 1 19 . 1 1 115 115 ARG C C 115 179.440 179.440 178.501 0.939 18720 8108 1 19 . 1 1 115 115 ARG CA C 115 59.650 59.650 58.650 1.000 18720 8109 1 19 . 1 1 115 115 ARG CB C 115 30.700 30.700 29.568 1.132 18720 8110 1 19 . 1 1 116 116 ILE N N 116 119.500 119.500 118.340 1.160 18720 8111 1 19 . 1 1 116 116 ILE C C 116 177.680 177.680 177.988 -0.308 18720 8112 1 19 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.802 -1.862 18720 8113 1 19 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.608 -1.888 18720 8114 1 19 . 1 1 117 117 SER N N 117 115.890 115.890 115.978 -0.088 18720 8115 1 19 . 1 1 117 117 SER C C 117 176.720 176.720 176.673 0.047 18720 8116 1 19 . 1 1 117 117 SER CA C 117 62.630 62.630 61.703 0.928 18720 8117 1 19 . 1 1 117 117 SER CB C 117 62.660 62.660 62.560 0.100 18720 8118 1 19 . 1 1 118 118 GLY N N 118 130.780 130.780 110.298 20.482 18720 8119 1 19 . 1 1 118 118 GLY C C 118 176.570 176.570 175.815 0.755 18720 8120 1 19 . 1 1 118 118 GLY CA C 118 47.090 47.090 46.979 0.111 18720 8121 1 19 . 1 1 119 119 LEU N N 119 124.450 124.450 122.669 1.781 18720 8122 1 19 . 1 1 119 119 LEU C C 119 179.470 179.470 178.942 0.528 18720 8123 1 19 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.841 -0.031 18720 8124 1 19 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.858 0.453 18720 8125 1 19 . 1 1 120 120 VAL N N 120 119.140 119.140 119.506 -0.366 18720 8126 1 19 . 1 1 120 120 VAL C C 120 177.380 177.380 177.991 -0.611 18720 8127 1 19 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.814 0.616 18720 8128 1 19 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.388 -0.518 18720 8129 1 19 . 1 1 121 121 ASN N N 121 116.650 116.650 118.316 -1.666 18720 8130 1 19 . 1 1 121 121 ASN C C 121 178.330 178.330 178.003 0.327 18720 8131 1 19 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.183 0.487 18720 8132 1 19 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.640 0.920 18720 8133 1 19 . 1 1 122 122 GLY N N 122 129.450 129.450 108.615 20.835 18720 8134 1 19 . 1 1 122 122 GLY C C 122 176.190 176.190 176.134 0.056 18720 8135 1 19 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.937 -0.157 18720 8136 1 19 . 1 1 123 123 LEU N N 123 121.510 121.510 122.260 -0.750 18720 8137 1 19 . 1 1 123 123 LEU C C 123 179.060 179.060 178.624 0.436 18720 8138 1 19 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.273 -0.882 18720 8139 1 19 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.757 -0.167 18720 8140 1 19 . 1 1 124 124 LEU N N 124 119.080 119.080 116.811 2.269 18720 8141 1 19 . 1 1 124 124 LEU C C 124 177.880 177.880 178.802 -0.922 18720 8142 1 19 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.324 -1.044 18720 8143 1 19 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.921 0.379 18720 8144 1 19 . 1 1 125 125 LYS N N 125 118.600 118.600 116.257 2.343 18720 8145 1 19 . 1 1 125 125 LYS C C 125 176.540 176.540 177.508 -0.968 18720 8146 1 19 . 1 1 125 125 LYS CA C 125 56.470 56.470 57.722 -1.252 18720 8147 1 19 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.625 0.105 18720 8148 1 19 . 1 1 126 126 SER N N 126 116.570 116.570 115.850 0.720 18720 8149 1 19 . 1 1 126 126 SER C C 126 173.590 173.590 173.576 0.014 18720 8150 1 19 . 1 1 126 126 SER CA C 126 58.550 58.550 57.854 0.696 18720 8151 1 19 . 1 1 126 126 SER CB C 126 63.880 63.880 64.183 -0.303 18720 8152 1 20 . 1 1 2 2 ALA N N 2 123.960 123.960 125.205 -1.245 18720 8153 1 20 . 1 1 2 2 ALA C C 2 177.620 177.620 176.372 1.248 18720 8154 1 20 . 1 1 2 2 ALA CA C 2 52.910 52.910 52.399 0.511 18720 8155 1 20 . 1 1 2 2 ALA CB C 2 19.050 19.050 20.174 -1.124 18720 8156 1 20 . 1 1 3 3 ASP N N 3 119.570 119.570 123.087 -3.517 18720 8157 1 20 . 1 1 3 3 ASP C C 3 177.150 177.150 175.878 1.272 18720 8158 1 20 . 1 1 3 3 ASP CA C 3 54.800 54.800 52.690 2.111 18720 8159 1 20 . 1 1 3 3 ASP CB C 3 41.610 41.610 40.880 0.730 18720 8160 1 20 . 1 1 4 4 GLU N N 4 123.110 123.110 121.534 1.576 18720 8161 1 20 . 1 1 4 4 GLU C C 4 177.710 177.710 177.882 -0.172 18720 8162 1 20 . 1 1 4 4 GLU CA C 4 58.390 58.390 58.791 -0.401 18720 8163 1 20 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.726 0.074 18720 8164 1 20 . 1 1 5 5 SER N N 5 116.020 116.020 115.394 0.626 18720 8165 1 20 . 1 1 5 5 SER CA C 5 60.870 60.870 61.105 -0.235 18720 8166 1 20 . 1 1 5 5 SER CB C 5 62.940 62.940 62.771 0.169 18720 8167 1 20 . 1 1 6 6 ILE N N 6 123.790 123.790 121.166 2.624 18720 8168 1 20 . 1 1 6 6 ILE C C 6 178.180 178.180 178.366 -0.186 18720 8169 1 20 . 1 1 6 6 ILE CA C 6 63.670 63.670 62.943 0.727 18720 8170 1 20 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.690 0.970 18720 8171 1 20 . 1 1 7 7 THR N N 7 117.450 117.450 116.340 1.110 18720 8172 1 20 . 1 1 7 7 THR C C 7 176.030 176.030 176.388 -0.358 18720 8173 1 20 . 1 1 7 7 THR CA C 7 66.370 66.370 67.149 -0.779 18720 8174 1 20 . 1 1 7 7 THR CB C 7 68.640 68.640 68.379 0.261 18720 8175 1 20 . 1 1 8 8 ARG N N 8 120.770 120.770 121.506 -0.736 18720 8176 1 20 . 1 1 8 8 ARG C C 8 179.040 179.040 178.207 0.833 18720 8177 1 20 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.920 -0.530 18720 8178 1 20 . 1 1 8 8 ARG CB C 8 29.990 29.990 30.132 -0.142 18720 8179 1 20 . 1 1 9 9 MET N N 9 119.840 119.840 118.951 0.889 18720 8180 1 20 . 1 1 9 9 MET C C 9 178.760 178.760 178.022 0.738 18720 8181 1 20 . 1 1 9 9 MET CA C 9 58.240 58.240 59.210 -0.970 18720 8182 1 20 . 1 1 9 9 MET CB C 9 31.970 31.970 32.469 -0.499 18720 8183 1 20 . 1 1 10 10 ASN N N 10 120.190 120.190 118.477 1.713 18720 8184 1 20 . 1 1 10 10 ASN C C 10 176.660 176.660 177.806 -1.146 18720 8185 1 20 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.112 -0.472 18720 8186 1 20 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.216 0.094 18720 8187 1 20 . 1 1 11 11 LEU N N 11 121.490 121.490 121.296 0.194 18720 8188 1 20 . 1 1 11 11 LEU C C 11 177.690 177.690 177.885 -0.195 18720 8189 1 20 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.738 -0.348 18720 8190 1 20 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.558 -0.578 18720 8191 1 20 . 1 1 12 12 ALA N N 12 120.380 120.380 121.386 -1.006 18720 8192 1 20 . 1 1 12 12 ALA C C 12 179.910 179.910 179.930 -0.020 18720 8193 1 20 . 1 1 12 12 ALA CA C 12 54.890 54.890 54.909 -0.019 18720 8194 1 20 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.823 -0.263 18720 8195 1 20 . 1 1 13 13 ALA N N 13 119.960 119.960 122.102 -2.142 18720 8196 1 20 . 1 1 13 13 ALA C C 13 179.740 179.740 179.771 -0.031 18720 8197 1 20 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.579 0.251 18720 8198 1 20 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.284 -0.764 18720 8199 1 20 . 1 1 14 14 ILE N N 14 118.040 118.040 119.738 -1.698 18720 8200 1 20 . 1 1 14 14 ILE C C 14 178.220 178.220 177.674 0.546 18720 8201 1 20 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.068 -0.708 18720 8202 1 20 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.218 -0.078 18720 8203 1 20 . 1 1 15 15 LYS N N 15 118.740 118.740 117.742 0.998 18720 8204 1 20 . 1 1 15 15 LYS C C 15 177.440 177.440 178.945 -1.505 18720 8205 1 20 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.816 -0.996 18720 8206 1 20 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.909 0.981 18720 8207 1 20 . 1 1 16 16 LYS N N 16 115.750 115.750 118.431 -2.681 18720 8208 1 20 . 1 1 16 16 LYS C C 16 177.060 177.060 177.819 -0.759 18720 8209 1 20 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.700 -0.140 18720 8210 1 20 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.390 0.200 18720 8211 1 20 . 1 1 17 17 ILE N N 17 115.830 115.830 116.360 -0.530 18720 8212 1 20 . 1 1 17 17 ILE C C 17 175.500 175.500 176.339 -0.839 18720 8213 1 20 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.343 -0.903 18720 8214 1 20 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.294 -0.334 18720 8215 1 20 . 1 1 18 18 ASP N N 18 119.320 119.320 121.906 -2.586 18720 8216 1 20 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.445 -0.705 18720 8217 1 20 . 1 1 18 18 ASP CB C 18 40.710 40.710 42.030 -1.320 18720 8218 1 20 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.090 -0.490 18720 8219 1 20 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.885 0.125 18720 8220 1 20 . 1 1 20 20 TYR N N 20 115.540 115.540 113.987 1.553 18720 8221 1 20 . 1 1 20 20 TYR C C 20 175.350 175.350 174.323 1.027 18720 8222 1 20 . 1 1 20 20 TYR CA C 20 57.810 57.810 55.019 2.791 18720 8223 1 20 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.965 0.175 18720 8224 1 20 . 1 1 21 21 ALA N N 21 122.720 122.720 122.504 0.216 18720 8225 1 20 . 1 1 21 21 ALA C C 21 175.410 175.410 175.538 -0.128 18720 8226 1 20 . 1 1 21 21 ALA CA C 21 54.330 54.330 50.960 3.370 18720 8227 1 20 . 1 1 21 21 ALA CB C 21 20.690 20.690 19.747 0.943 18720 8228 1 20 . 1 1 22 22 LYS N N 22 121.370 121.370 123.568 -2.198 18720 8229 1 20 . 1 1 22 22 LYS C C 22 175.400 175.400 176.242 -0.842 18720 8230 1 20 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.523 0.297 18720 8231 1 20 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.873 0.987 18720 8232 1 20 . 1 1 23 23 GLU N N 23 113.820 113.820 119.582 -5.762 18720 8233 1 20 . 1 1 23 23 GLU C C 23 174.470 174.470 174.597 -0.127 18720 8234 1 20 . 1 1 23 23 GLU CA C 23 55.330 55.330 54.928 0.402 18720 8235 1 20 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.924 0.116 18720 8236 1 20 . 1 1 24 24 ILE N N 24 125.650 125.650 124.847 0.803 18720 8237 1 20 . 1 1 24 24 ILE C C 24 175.360 175.360 176.256 -0.896 18720 8238 1 20 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.695 1.075 18720 8239 1 20 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.050 -0.440 18720 8240 1 20 . 1 1 25 25 VAL N N 25 127.290 127.290 127.414 -0.124 18720 8241 1 20 . 1 1 25 25 VAL C C 25 175.240 175.240 176.032 -0.792 18720 8242 1 20 . 1 1 25 25 VAL CA C 25 63.620 63.620 64.271 -0.651 18720 8243 1 20 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.782 0.558 18720 8244 1 20 . 1 1 26 26 ASP N N 26 117.410 117.410 116.950 0.460 18720 8245 1 20 . 1 1 26 26 ASP C C 26 174.000 174.000 174.034 -0.034 18720 8246 1 20 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.365 -0.335 18720 8247 1 20 . 1 1 26 26 ASP CB C 26 44.710 44.710 43.876 0.834 18720 8248 1 20 . 1 1 27 27 SER N N 27 115.600 115.600 117.221 -1.621 18720 8249 1 20 . 1 1 27 27 SER C C 27 172.420 172.420 173.140 -0.720 18720 8250 1 20 . 1 1 27 27 SER CA C 27 57.200 57.200 57.134 0.066 18720 8251 1 20 . 1 1 27 27 SER CB C 27 67.230 67.230 65.874 1.356 18720 8252 1 20 . 1 1 28 28 SER N N 28 113.820 113.820 119.719 -5.899 18720 8253 1 20 . 1 1 28 28 SER C C 28 176.140 176.140 175.763 0.377 18720 8254 1 20 . 1 1 28 28 SER CA C 28 57.840 57.840 56.230 1.610 18720 8255 1 20 . 1 1 28 28 SER CB C 28 65.830 65.830 65.152 0.678 18720 8256 1 20 . 1 1 29 29 SER N N 29 121.670 121.670 124.185 -2.515 18720 8257 1 20 . 1 1 29 29 SER CA C 29 61.900 61.900 60.759 1.141 18720 8258 1 20 . 1 1 29 29 SER CB C 29 63.720 63.720 63.623 0.097 18720 8259 1 20 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.118 0.512 18720 8260 1 20 . 1 1 31 31 VAL N N 31 127.450 127.450 126.426 1.024 18720 8261 1 20 . 1 1 31 31 VAL C C 31 173.480 173.480 173.367 0.113 18720 8262 1 20 . 1 1 31 31 VAL CA C 31 60.330 60.330 61.070 -0.740 18720 8263 1 20 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.285 0.255 18720 8264 1 20 . 1 1 32 32 ALA N N 32 125.580 125.580 127.374 -1.794 18720 8265 1 20 . 1 1 32 32 ALA C C 32 175.260 175.260 175.139 0.121 18720 8266 1 20 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.753 1.057 18720 8267 1 20 . 1 1 32 32 ALA CB C 32 23.020 23.020 22.879 0.141 18720 8268 1 20 . 1 1 33 33 PHE N N 33 123.530 123.530 122.308 1.222 18720 8269 1 20 . 1 1 33 33 PHE C C 33 174.210 174.210 173.729 0.481 18720 8270 1 20 . 1 1 33 33 PHE CA C 33 56.050 56.050 56.913 -0.863 18720 8271 1 20 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.777 -0.757 18720 8272 1 20 . 1 1 34 34 TYR N N 34 130.040 130.040 126.298 3.742 18720 8273 1 20 . 1 1 34 34 TYR C C 34 173.300 173.300 174.976 -1.676 18720 8274 1 20 . 1 1 34 34 TYR CA C 34 57.500 57.500 57.211 0.289 18720 8275 1 20 . 1 1 34 34 TYR CB C 34 44.150 44.150 43.144 1.006 18720 8276 1 20 . 1 1 35 35 THR N N 35 109.080 109.080 118.652 -9.572 18720 8277 1 20 . 1 1 35 35 THR C C 35 172.150 172.150 172.596 -0.446 18720 8278 1 20 . 1 1 35 35 THR CA C 35 59.670 59.670 61.497 -1.827 18720 8279 1 20 . 1 1 35 35 THR CB C 35 70.820 70.820 71.558 -0.738 18720 8280 1 20 . 1 1 36 36 PHE N N 36 126.090 126.090 125.678 0.412 18720 8281 1 20 . 1 1 36 36 PHE C C 36 173.570 173.570 173.596 -0.026 18720 8282 1 20 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.203 1.707 18720 8283 1 20 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.272 -2.502 18720 8284 1 20 . 1 1 37 37 ASN N N 37 128.500 128.500 125.015 3.485 18720 8285 1 20 . 1 1 37 37 ASN C C 37 175.280 175.280 175.046 0.234 18720 8286 1 20 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.434 0.096 18720 8287 1 20 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.195 -1.465 18720 8288 1 20 . 1 1 38 38 SER N N 38 121.880 121.880 122.361 -0.481 18720 8289 1 20 . 1 1 38 38 SER CB C 38 63.050 63.050 63.430 -0.380 18720 8290 1 20 . 1 1 39 39 SER C C 39 175.410 175.410 175.966 -0.556 18720 8291 1 20 . 1 1 39 39 SER CA C 39 61.020 61.020 60.833 0.187 18720 8292 1 20 . 1 1 39 39 SER CB C 39 62.700 62.700 63.269 -0.569 18720 8293 1 20 . 1 1 40 40 GLN N N 40 117.370 117.370 119.500 -2.130 18720 8294 1 20 . 1 1 40 40 GLN C C 40 174.910 174.910 175.921 -1.011 18720 8295 1 20 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.631 -0.831 18720 8296 1 20 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.489 0.321 18720 8297 1 20 . 1 1 41 41 ASN N N 41 118.400 118.400 116.458 1.942 18720 8298 1 20 . 1 1 41 41 ASN C C 41 173.240 173.240 173.450 -0.210 18720 8299 1 20 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.103 0.097 18720 8300 1 20 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.726 -0.086 18720 8301 1 20 . 1 1 42 42 GLU N N 42 112.910 112.910 117.178 -4.268 18720 8302 1 20 . 1 1 42 42 GLU C C 42 174.620 174.620 174.417 0.203 18720 8303 1 20 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.793 -0.683 18720 8304 1 20 . 1 1 42 42 GLU CB C 42 34.450 34.450 32.756 1.694 18720 8305 1 20 . 1 1 43 43 TRP N N 43 123.140 123.140 122.019 1.121 18720 8306 1 20 . 1 1 43 43 TRP C C 43 175.850 175.850 176.720 -0.870 18720 8307 1 20 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.385 0.255 18720 8308 1 20 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.853 0.757 18720 8309 1 20 . 1 1 44 44 GLU N N 44 120.660 120.660 122.740 -2.080 18720 8310 1 20 . 1 1 44 44 GLU C C 44 175.030 175.030 175.690 -0.660 18720 8311 1 20 . 1 1 44 44 GLU CA C 44 55.120 55.120 55.279 -0.159 18720 8312 1 20 . 1 1 44 44 GLU CB C 44 32.110 32.110 32.952 -0.842 18720 8313 1 20 . 1 1 45 45 LYS N N 45 123.100 123.100 125.062 -1.962 18720 8314 1 20 . 1 1 45 45 LYS C C 45 176.810 176.810 176.568 0.242 18720 8315 1 20 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.158 0.802 18720 8316 1 20 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.606 0.734 18720 8317 1 20 . 1 1 46 46 THR N N 46 114.570 114.570 115.390 -0.820 18720 8318 1 20 . 1 1 46 46 THR C C 46 174.130 174.130 174.500 -0.370 18720 8319 1 20 . 1 1 46 46 THR CA C 46 61.720 61.720 60.683 1.037 18720 8320 1 20 . 1 1 46 46 THR CB C 46 71.720 71.720 70.025 1.695 18720 8321 1 20 . 1 1 47 47 ASP N N 47 118.590 118.590 120.330 -1.740 18720 8322 1 20 . 1 1 47 47 ASP C C 47 174.390 174.390 175.174 -0.784 18720 8323 1 20 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.476 -0.566 18720 8324 1 20 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.120 -0.250 18720 8325 1 20 . 1 1 48 48 VAL N N 48 118.730 118.730 121.056 -2.326 18720 8326 1 20 . 1 1 48 48 VAL C C 48 174.840 174.840 173.788 1.052 18720 8327 1 20 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.603 0.757 18720 8328 1 20 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.242 1.148 18720 8329 1 20 . 1 1 49 49 GLU N N 49 127.180 127.180 128.883 -1.703 18720 8330 1 20 . 1 1 49 49 GLU C C 49 174.140 174.140 175.037 -0.897 18720 8331 1 20 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.150 0.080 18720 8332 1 20 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.535 0.335 18720 8333 1 20 . 1 1 50 50 GLY N N 50 110.640 110.640 112.064 -1.424 18720 8334 1 20 . 1 1 50 50 GLY C C 50 171.360 171.360 171.878 -0.518 18720 8335 1 20 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.071 0.649 18720 8336 1 20 . 1 1 51 51 ALA N N 51 124.800 124.800 121.747 3.053 18720 8337 1 20 . 1 1 51 51 ALA C C 51 174.220 174.220 175.734 -1.514 18720 8338 1 20 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.100 1.570 18720 8339 1 20 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.538 -0.268 18720 8340 1 20 . 1 1 52 52 PHE N N 52 123.680 123.680 126.007 -2.327 18720 8341 1 20 . 1 1 52 52 PHE C C 52 173.650 173.650 173.383 0.267 18720 8342 1 20 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.259 -0.339 18720 8343 1 20 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.287 2.413 18720 8344 1 20 . 1 1 53 53 PHE N N 53 123.690 123.690 126.376 -2.686 18720 8345 1 20 . 1 1 53 53 PHE C C 53 174.760 174.760 174.042 0.718 18720 8346 1 20 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.606 0.914 18720 8347 1 20 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.638 -0.218 18720 8348 1 20 . 1 1 54 54 ILE N N 54 119.970 119.970 121.343 -1.373 18720 8349 1 20 . 1 1 54 54 ILE C C 54 175.240 175.240 174.680 0.560 18720 8350 1 20 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.804 -1.314 18720 8351 1 20 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.456 -0.566 18720 8352 1 20 . 1 1 55 55 TYR N N 55 125.670 125.670 126.684 -1.014 18720 8353 1 20 . 1 1 55 55 TYR C C 55 170.980 170.980 174.990 -4.010 18720 8354 1 20 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.476 0.844 18720 8355 1 20 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.717 2.263 18720 8356 1 20 . 1 1 56 56 HIS N N 56 121.710 121.710 123.001 -1.291 18720 8357 1 20 . 1 1 56 56 HIS C C 56 175.000 175.000 173.540 1.460 18720 8358 1 20 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.766 -2.036 18720 8359 1 20 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.503 -0.203 18720 8360 1 20 . 1 1 57 57 ARG N N 57 126.870 126.870 123.013 3.857 18720 8361 1 20 . 1 1 57 57 ARG C C 57 174.770 174.770 174.593 0.177 18720 8362 1 20 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.268 0.762 18720 8363 1 20 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.448 1.642 18720 8364 1 20 . 1 1 58 58 ASN N N 58 115.660 115.660 121.800 -6.140 18720 8365 1 20 . 1 1 58 58 ASN C C 58 173.540 173.540 174.082 -0.542 18720 8366 1 20 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.177 -0.407 18720 8367 1 20 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.956 1.224 18720 8368 1 20 . 1 1 59 59 ALA N N 59 120.190 120.190 121.159 -0.969 18720 8369 1 20 . 1 1 59 59 ALA C C 59 173.000 173.000 174.819 -1.819 18720 8370 1 20 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.813 -0.473 18720 8371 1 20 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.226 0.654 18720 8372 1 20 . 1 1 60 60 GLU N N 60 117.270 117.270 119.817 -2.547 18720 8373 1 20 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.211 0.299 18720 8374 1 20 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.747 -0.077 18720 8375 1 20 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.775 -0.715 18720 8376 1 20 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.175 1.455 18720 8377 1 20 . 1 1 62 62 PHE N N 62 120.680 120.680 119.627 1.053 18720 8378 1 20 . 1 1 62 62 PHE C C 62 174.840 174.840 175.645 -0.805 18720 8379 1 20 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.703 -0.923 18720 8380 1 20 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.954 -0.734 18720 8381 1 20 . 1 1 63 63 HIS N N 63 115.820 115.820 113.301 2.519 18720 8382 1 20 . 1 1 63 63 HIS C C 63 174.540 174.540 173.904 0.636 18720 8383 1 20 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.675 0.315 18720 8384 1 20 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.432 0.898 18720 8385 1 20 . 1 1 64 64 SER N N 64 114.040 114.040 116.841 -2.801 18720 8386 1 20 . 1 1 64 64 SER C C 64 169.620 169.620 172.296 -2.676 18720 8387 1 20 . 1 1 64 64 SER CA C 64 55.980 55.980 57.562 -1.582 18720 8388 1 20 . 1 1 64 64 SER CB C 64 66.770 66.770 65.579 1.191 18720 8389 1 20 . 1 1 65 65 ILE N N 65 125.090 125.090 122.771 2.319 18720 8390 1 20 . 1 1 65 65 ILE C C 65 174.630 174.630 173.908 0.722 18720 8391 1 20 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.547 -0.327 18720 8392 1 20 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.647 -0.056 18720 8393 1 20 . 1 1 66 66 PHE N N 66 127.730 127.730 126.638 1.092 18720 8394 1 20 . 1 1 66 66 PHE C C 66 174.680 174.680 172.985 1.695 18720 8395 1 20 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.600 -0.300 18720 8396 1 20 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.286 1.744 18720 8397 1 20 . 1 1 67 67 ILE N N 67 124.780 124.780 124.806 -0.026 18720 8398 1 20 . 1 1 67 67 ILE C C 67 174.180 174.180 173.762 0.418 18720 8399 1 20 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.754 -0.084 18720 8400 1 20 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.111 -0.390 18720 8401 1 20 . 1 1 68 68 ASN N N 68 124.620 124.620 125.422 -0.802 18720 8402 1 20 . 1 1 68 68 ASN C C 68 174.260 174.260 173.967 0.293 18720 8403 1 20 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.977 -0.907 18720 8404 1 20 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.569 -0.569 18720 8405 1 20 . 1 1 69 69 ASN N N 69 124.120 124.120 125.533 -1.413 18720 8406 1 20 . 1 1 69 69 ASN C C 69 175.740 175.740 176.121 -0.381 18720 8407 1 20 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.938 0.262 18720 8408 1 20 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.681 0.839 18720 8409 1 20 . 1 1 70 70 ARG N N 70 123.310 123.310 126.947 -3.637 18720 8410 1 20 . 1 1 70 70 ARG CA C 70 56.960 56.960 59.071 -2.111 18720 8411 1 20 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.539 0.521 18720 8412 1 20 . 1 1 73 73 THR C C 73 175.310 175.310 173.543 1.767 18720 8413 1 20 . 1 1 73 73 THR CA C 73 62.320 62.320 63.650 -1.330 18720 8414 1 20 . 1 1 73 73 THR CB C 73 69.070 69.070 66.733 2.337 18720 8415 1 20 . 1 1 74 74 THR N N 74 119.010 119.010 117.159 1.851 18720 8416 1 20 . 1 1 74 74 THR C C 74 173.810 173.810 173.891 -0.081 18720 8417 1 20 . 1 1 74 74 THR CA C 74 62.700 62.700 61.694 1.006 18720 8418 1 20 . 1 1 74 74 THR CB C 74 69.750 69.750 72.154 -2.404 18720 8419 1 20 . 1 1 75 75 SER N N 75 120.750 120.750 121.414 -0.664 18720 8420 1 20 . 1 1 75 75 SER C C 75 172.250 172.250 173.833 -1.583 18720 8421 1 20 . 1 1 75 75 SER CA C 75 58.300 58.300 58.346 -0.046 18720 8422 1 20 . 1 1 75 75 SER CB C 75 65.290 65.290 64.003 1.287 18720 8423 1 20 . 1 1 76 76 PHE N N 76 122.090 122.090 128.386 -6.296 18720 8424 1 20 . 1 1 76 76 PHE C C 76 172.040 172.040 172.854 -0.814 18720 8425 1 20 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.258 0.522 18720 8426 1 20 . 1 1 76 76 PHE CB C 76 43.300 43.300 41.855 1.446 18720 8427 1 20 . 1 1 77 77 VAL N N 77 124.490 124.490 126.329 -1.839 18720 8428 1 20 . 1 1 77 77 VAL C C 77 174.390 174.390 174.232 0.158 18720 8429 1 20 . 1 1 77 77 VAL CA C 77 59.740 59.740 60.497 -0.757 18720 8430 1 20 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.185 0.425 18720 8431 1 20 . 1 1 78 78 GLU N N 78 125.760 125.760 125.654 0.106 18720 8432 1 20 . 1 1 78 78 GLU CA C 78 52.120 52.120 53.031 -0.911 18720 8433 1 20 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.242 0.548 18720 8434 1 20 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.445 0.325 18720 8435 1 20 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.749 -0.189 18720 8436 1 20 . 1 1 80 80 ILE N N 80 123.190 123.190 123.077 0.113 18720 8437 1 20 . 1 1 80 80 ILE C C 80 174.250 174.250 176.132 -1.882 18720 8438 1 20 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.897 -0.477 18720 8439 1 20 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.016 -1.375 18720 8440 1 20 . 1 1 81 81 THR N N 81 115.840 115.840 119.405 -3.565 18720 8441 1 20 . 1 1 81 81 THR C C 81 174.140 174.140 174.865 -0.725 18720 8442 1 20 . 1 1 81 81 THR CA C 81 59.500 59.500 60.661 -1.161 18720 8443 1 20 . 1 1 81 81 THR CB C 81 71.030 71.030 71.645 -0.615 18720 8444 1 20 . 1 1 82 82 GLY N N 82 128.890 128.890 109.141 19.749 18720 8445 1 20 . 1 1 82 82 GLY C C 82 176.630 176.630 174.544 2.086 18720 8446 1 20 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.105 1.315 18720 8447 1 20 . 1 1 83 83 SER N N 83 113.780 113.780 116.597 -2.817 18720 8448 1 20 . 1 1 83 83 SER C C 83 173.410 173.410 174.982 -1.572 18720 8449 1 20 . 1 1 83 83 SER CA C 83 57.840 57.840 58.573 -0.733 18720 8450 1 20 . 1 1 83 83 SER CB C 83 63.480 63.480 63.937 -0.457 18720 8451 1 20 . 1 1 84 84 LEU N N 84 123.770 123.770 122.787 0.983 18720 8452 1 20 . 1 1 84 84 LEU C C 84 175.350 175.350 175.764 -0.414 18720 8453 1 20 . 1 1 84 84 LEU CA C 84 56.130 56.130 54.771 1.359 18720 8454 1 20 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.726 -0.036 18720 8455 1 20 . 1 1 85 85 GLU N N 85 124.380 124.380 122.141 2.239 18720 8456 1 20 . 1 1 85 85 GLU C C 85 174.280 174.280 175.148 -0.868 18720 8457 1 20 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.405 -0.535 18720 8458 1 20 . 1 1 85 85 GLU CB C 85 33.420 33.420 31.628 1.792 18720 8459 1 20 . 1 1 86 86 LEU N N 86 121.400 121.400 124.239 -2.839 18720 8460 1 20 . 1 1 86 86 LEU C C 86 177.240 177.240 176.766 0.474 18720 8461 1 20 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.830 0.660 18720 8462 1 20 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.354 1.766 18720 8463 1 20 . 1 1 87 87 GLN N N 87 121.690 121.690 118.742 2.948 18720 8464 1 20 . 1 1 87 87 GLN C C 87 173.460 173.460 173.833 -0.373 18720 8465 1 20 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.627 1.453 18720 8466 1 20 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.191 -1.421 18720 8467 1 20 . 1 1 88 88 SER N N 88 120.000 120.000 117.551 2.449 18720 8468 1 20 . 1 1 88 88 SER C C 88 174.930 174.930 173.575 1.355 18720 8469 1 20 . 1 1 88 88 SER CA C 88 57.540 57.540 57.842 -0.302 18720 8470 1 20 . 1 1 88 88 SER CB C 88 63.750 63.750 63.115 0.635 18720 8471 1 20 . 1 1 89 89 GLN N N 89 129.170 129.170 127.218 1.952 18720 8472 1 20 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.572 1.048 18720 8473 1 20 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.689 -0.189 18720 8474 1 20 . 1 1 93 93 LEU C C 93 173.810 173.810 174.386 -0.576 18720 8475 1 20 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.792 0.098 18720 8476 1 20 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.289 0.501 18720 8477 1 20 . 1 1 94 94 LEU N N 94 125.950 125.950 127.933 -1.983 18720 8478 1 20 . 1 1 94 94 LEU C C 94 175.680 175.680 174.301 1.379 18720 8479 1 20 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.945 1.025 18720 8480 1 20 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.238 -1.958 18720 8481 1 20 . 1 1 95 95 TYR N N 95 118.250 118.250 121.132 -2.882 18720 8482 1 20 . 1 1 95 95 TYR C C 95 171.830 171.830 173.334 -1.504 18720 8483 1 20 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.440 1.681 18720 8484 1 20 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.020 0.590 18720 8485 1 20 . 1 1 96 96 ARG N N 96 114.570 114.570 119.095 -4.525 18720 8486 1 20 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.811 -1.611 18720 8487 1 20 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.544 0.436 18720 8488 1 20 . 1 1 99 99 ARG C C 99 175.470 175.470 175.321 0.149 18720 8489 1 20 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.319 1.061 18720 8490 1 20 . 1 1 100 100 SER N N 100 110.460 110.460 109.753 0.707 18720 8491 1 20 . 1 1 100 100 SER C C 100 173.620 173.620 173.688 -0.068 18720 8492 1 20 . 1 1 100 100 SER CA C 100 59.570 59.570 59.423 0.147 18720 8493 1 20 . 1 1 100 100 SER CB C 100 62.640 62.640 62.212 0.427 18720 8494 1 20 . 1 1 101 101 ARG N N 101 119.500 119.500 119.393 0.107 18720 8495 1 20 . 1 1 101 101 ARG C C 101 174.900 174.900 174.434 0.466 18720 8496 1 20 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.197 0.312 18720 8497 1 20 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.631 -2.161 18720 8498 1 20 . 1 1 102 102 ILE N N 102 124.730 124.730 121.531 3.199 18720 8499 1 20 . 1 1 102 102 ILE C C 102 175.360 175.360 174.857 0.503 18720 8500 1 20 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.615 1.055 18720 8501 1 20 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.186 -0.456 18720 8502 1 20 . 1 1 103 103 ARG N N 103 130.770 130.770 124.971 5.799 18720 8503 1 20 . 1 1 103 103 ARG C C 103 173.480 173.480 174.543 -1.063 18720 8504 1 20 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.271 0.559 18720 8505 1 20 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.776 1.514 18720 8506 1 20 . 1 1 104 104 GLY N N 104 128.260 128.260 107.770 20.490 18720 8507 1 20 . 1 1 104 104 GLY C C 104 170.890 170.890 171.387 -0.497 18720 8508 1 20 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.151 2.288 18720 8509 1 20 . 1 1 105 105 PHE N N 105 118.120 118.120 117.634 0.486 18720 8510 1 20 . 1 1 105 105 PHE C C 105 173.920 173.920 173.835 0.085 18720 8511 1 20 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.685 -2.025 18720 8512 1 20 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.896 -0.676 18720 8513 1 20 . 1 1 106 106 TRP N N 106 124.290 124.290 124.404 -0.114 18720 8514 1 20 . 1 1 106 106 TRP CA C 106 56.410 56.410 57.036 -0.626 18720 8515 1 20 . 1 1 106 106 TRP CB C 106 31.880 31.880 31.967 -0.087 18720 8516 1 20 . 1 1 110 110 SER C C 110 175.240 175.240 175.954 -0.714 18720 8517 1 20 . 1 1 110 110 SER CA C 110 62.920 62.920 61.130 1.790 18720 8518 1 20 . 1 1 110 110 SER CB C 110 64.980 64.980 63.316 1.664 18720 8519 1 20 . 1 1 111 111 GLU N N 111 122.310 122.310 119.334 2.976 18720 8520 1 20 . 1 1 111 111 GLU C C 111 179.150 179.150 178.429 0.721 18720 8521 1 20 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.382 0.158 18720 8522 1 20 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.197 -0.627 18720 8523 1 20 . 1 1 112 112 GLU N N 112 118.920 118.920 120.292 -1.372 18720 8524 1 20 . 1 1 112 112 GLU C C 112 176.360 176.360 178.526 -2.166 18720 8525 1 20 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.162 -1.082 18720 8526 1 20 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.553 0.687 18720 8527 1 20 . 1 1 113 113 CYS N N 113 117.090 117.090 117.540 -0.450 18720 8528 1 20 . 1 1 113 113 CYS C C 113 176.110 176.110 176.227 -0.117 18720 8529 1 20 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.636 -1.136 18720 8530 1 20 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.111 0.689 18720 8531 1 20 . 1 1 114 114 ASP N N 114 118.820 118.820 120.809 -1.989 18720 8532 1 20 . 1 1 114 114 ASP C C 114 178.460 178.460 178.325 0.135 18720 8533 1 20 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.018 0.322 18720 8534 1 20 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.677 0.393 18720 8535 1 20 . 1 1 115 115 ARG N N 115 120.870 120.870 119.005 1.865 18720 8536 1 20 . 1 1 115 115 ARG C C 115 179.440 179.440 178.791 0.649 18720 8537 1 20 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.475 0.175 18720 8538 1 20 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.087 0.613 18720 8539 1 20 . 1 1 116 116 ILE N N 116 119.500 119.500 119.247 0.253 18720 8540 1 20 . 1 1 116 116 ILE C C 116 177.680 177.680 177.998 -0.318 18720 8541 1 20 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.518 -1.578 18720 8542 1 20 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.718 -1.998 18720 8543 1 20 . 1 1 117 117 SER N N 117 115.890 115.890 116.029 -0.139 18720 8544 1 20 . 1 1 117 117 SER C C 117 176.720 176.720 176.864 -0.144 18720 8545 1 20 . 1 1 117 117 SER CA C 117 62.630 62.630 61.783 0.847 18720 8546 1 20 . 1 1 117 117 SER CB C 117 62.660 62.660 62.665 -0.005 18720 8547 1 20 . 1 1 118 118 GLY N N 118 130.780 130.780 110.307 20.473 18720 8548 1 20 . 1 1 118 118 GLY C C 118 176.570 176.570 175.808 0.762 18720 8549 1 20 . 1 1 118 118 GLY CA C 118 47.090 47.090 46.971 0.119 18720 8550 1 20 . 1 1 119 119 LEU N N 119 124.450 124.450 122.476 1.974 18720 8551 1 20 . 1 1 119 119 LEU C C 119 179.470 179.470 179.038 0.432 18720 8552 1 20 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.838 -0.028 18720 8553 1 20 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.795 0.515 18720 8554 1 20 . 1 1 120 120 VAL N N 120 119.140 119.140 119.174 -0.034 18720 8555 1 20 . 1 1 120 120 VAL C C 120 177.380 177.380 178.281 -0.901 18720 8556 1 20 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.075 1.355 18720 8557 1 20 . 1 1 120 120 VAL CB C 120 30.870 30.870 30.727 0.143 18720 8558 1 20 . 1 1 121 121 ASN N N 121 116.650 116.650 118.780 -2.130 18720 8559 1 20 . 1 1 121 121 ASN C C 121 178.330 178.330 177.928 0.402 18720 8560 1 20 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.428 0.242 18720 8561 1 20 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.662 0.898 18720 8562 1 20 . 1 1 122 122 GLY N N 122 129.450 129.450 108.392 21.058 18720 8563 1 20 . 1 1 122 122 GLY C C 122 176.190 176.190 176.116 0.074 18720 8564 1 20 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.939 -0.159 18720 8565 1 20 . 1 1 123 123 LEU N N 123 121.510 121.510 121.831 -0.321 18720 8566 1 20 . 1 1 123 123 LEU C C 123 179.060 179.060 178.260 0.800 18720 8567 1 20 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.009 -0.619 18720 8568 1 20 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.778 -0.188 18720 8569 1 20 . 1 1 124 124 LEU N N 124 119.080 119.080 116.273 2.807 18720 8570 1 20 . 1 1 124 124 LEU C C 124 177.880 177.880 179.341 -1.461 18720 8571 1 20 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.348 -1.068 18720 8572 1 20 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.951 0.349 18720 8573 1 20 . 1 1 125 125 LYS N N 125 118.600 118.600 116.814 1.786 18720 8574 1 20 . 1 1 125 125 LYS C C 125 176.540 176.540 177.075 -0.535 18720 8575 1 20 . 1 1 125 125 LYS CA C 125 56.470 56.470 57.911 -1.441 18720 8576 1 20 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.475 0.255 18720 8577 1 20 . 1 1 126 126 SER N N 126 116.570 116.570 117.065 -0.495 18720 8578 1 20 . 1 1 126 126 SER C C 126 173.590 173.590 173.410 0.180 18720 8579 1 20 . 1 1 126 126 SER CA C 126 58.550 58.550 58.344 0.206 18720 8580 1 20 . 1 1 126 126 SER CB C 126 63.880 63.880 64.349 -0.469 18720 8581 1 21 . 1 1 2 2 ALA N N 2 123.960 123.960 128.440 -4.480 18720 8582 1 21 . 1 1 2 2 ALA C C 2 177.620 177.620 176.078 1.542 18720 8583 1 21 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.997 0.913 18720 8584 1 21 . 1 1 2 2 ALA CB C 2 19.050 19.050 19.812 -0.762 18720 8585 1 21 . 1 1 3 3 ASP N N 3 119.570 119.570 123.025 -3.455 18720 8586 1 21 . 1 1 3 3 ASP C C 3 177.150 177.150 177.335 -0.185 18720 8587 1 21 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.921 0.879 18720 8588 1 21 . 1 1 3 3 ASP CB C 3 41.610 41.610 42.245 -0.635 18720 8589 1 21 . 1 1 4 4 GLU N N 4 123.110 123.110 123.644 -0.534 18720 8590 1 21 . 1 1 4 4 GLU C C 4 177.710 177.710 178.100 -0.390 18720 8591 1 21 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.222 -0.832 18720 8592 1 21 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.701 0.099 18720 8593 1 21 . 1 1 5 5 SER N N 5 116.020 116.020 115.798 0.222 18720 8594 1 21 . 1 1 5 5 SER CA C 5 60.870 60.870 61.041 -0.171 18720 8595 1 21 . 1 1 5 5 SER CB C 5 62.940 62.940 62.671 0.269 18720 8596 1 21 . 1 1 6 6 ILE N N 6 123.790 123.790 121.212 2.578 18720 8597 1 21 . 1 1 6 6 ILE C C 6 178.180 178.180 177.881 0.299 18720 8598 1 21 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.923 -0.253 18720 8599 1 21 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.540 1.120 18720 8600 1 21 . 1 1 7 7 THR N N 7 117.450 117.450 117.004 0.446 18720 8601 1 21 . 1 1 7 7 THR C C 7 176.030 176.030 177.185 -1.155 18720 8602 1 21 . 1 1 7 7 THR CA C 7 66.370 66.370 66.735 -0.365 18720 8603 1 21 . 1 1 7 7 THR CB C 7 68.640 68.640 68.501 0.139 18720 8604 1 21 . 1 1 8 8 ARG N N 8 120.770 120.770 120.588 0.182 18720 8605 1 21 . 1 1 8 8 ARG C C 8 179.040 179.040 178.831 0.209 18720 8606 1 21 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.943 -0.553 18720 8607 1 21 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.938 0.052 18720 8608 1 21 . 1 1 9 9 MET N N 9 119.840 119.840 118.399 1.441 18720 8609 1 21 . 1 1 9 9 MET C C 9 178.760 178.760 178.258 0.502 18720 8610 1 21 . 1 1 9 9 MET CA C 9 58.240 58.240 59.353 -1.113 18720 8611 1 21 . 1 1 9 9 MET CB C 9 31.970 31.970 32.205 -0.235 18720 8612 1 21 . 1 1 10 10 ASN N N 10 120.190 120.190 118.932 1.258 18720 8613 1 21 . 1 1 10 10 ASN C C 10 176.660 176.660 177.655 -0.995 18720 8614 1 21 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.265 -0.625 18720 8615 1 21 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.479 -0.169 18720 8616 1 21 . 1 1 11 11 LEU N N 11 121.490 121.490 120.784 0.706 18720 8617 1 21 . 1 1 11 11 LEU C C 11 177.690 177.690 177.758 -0.068 18720 8618 1 21 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.632 -0.242 18720 8619 1 21 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.618 -0.638 18720 8620 1 21 . 1 1 12 12 ALA N N 12 120.380 120.380 121.702 -1.322 18720 8621 1 21 . 1 1 12 12 ALA C C 12 179.910 179.910 179.409 0.501 18720 8622 1 21 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.085 -0.195 18720 8623 1 21 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.891 -0.331 18720 8624 1 21 . 1 1 13 13 ALA N N 13 119.960 119.960 121.107 -1.147 18720 8625 1 21 . 1 1 13 13 ALA C C 13 179.740 179.740 179.984 -0.244 18720 8626 1 21 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.630 0.200 18720 8627 1 21 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.226 -0.706 18720 8628 1 21 . 1 1 14 14 ILE N N 14 118.040 118.040 119.734 -1.694 18720 8629 1 21 . 1 1 14 14 ILE C C 14 178.220 178.220 177.680 0.540 18720 8630 1 21 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.042 -0.682 18720 8631 1 21 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.237 -0.097 18720 8632 1 21 . 1 1 15 15 LYS N N 15 118.740 118.740 117.581 1.159 18720 8633 1 21 . 1 1 15 15 LYS C C 15 177.440 177.440 178.900 -1.460 18720 8634 1 21 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.756 -0.936 18720 8635 1 21 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.903 0.987 18720 8636 1 21 . 1 1 16 16 LYS N N 16 115.750 115.750 119.117 -3.367 18720 8637 1 21 . 1 1 16 16 LYS C C 16 177.060 177.060 177.643 -0.583 18720 8638 1 21 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.611 -0.050 18720 8639 1 21 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.207 0.383 18720 8640 1 21 . 1 1 17 17 ILE N N 17 115.830 115.830 116.088 -0.258 18720 8641 1 21 . 1 1 17 17 ILE C C 17 175.500 175.500 176.429 -0.929 18720 8642 1 21 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.614 -1.174 18720 8643 1 21 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.157 -0.197 18720 8644 1 21 . 1 1 18 18 ASP N N 18 119.320 119.320 121.994 -2.674 18720 8645 1 21 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.476 -0.736 18720 8646 1 21 . 1 1 18 18 ASP CB C 18 40.710 40.710 42.148 -1.438 18720 8647 1 21 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.114 -0.514 18720 8648 1 21 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.839 0.171 18720 8649 1 21 . 1 1 20 20 TYR N N 20 115.540 115.540 113.200 2.340 18720 8650 1 21 . 1 1 20 20 TYR C C 20 175.350 175.350 174.267 1.083 18720 8651 1 21 . 1 1 20 20 TYR CA C 20 57.810 57.810 54.919 2.891 18720 8652 1 21 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.932 0.208 18720 8653 1 21 . 1 1 21 21 ALA N N 21 122.720 122.720 122.808 -0.088 18720 8654 1 21 . 1 1 21 21 ALA C C 21 175.410 175.410 175.897 -0.487 18720 8655 1 21 . 1 1 21 21 ALA CA C 21 54.330 54.330 50.644 3.686 18720 8656 1 21 . 1 1 21 21 ALA CB C 21 20.690 20.690 20.101 0.589 18720 8657 1 21 . 1 1 22 22 LYS N N 22 121.370 121.370 120.893 0.477 18720 8658 1 21 . 1 1 22 22 LYS C C 22 175.400 175.400 176.456 -1.056 18720 8659 1 21 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.010 0.810 18720 8660 1 21 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.414 1.446 18720 8661 1 21 . 1 1 23 23 GLU N N 23 113.820 113.820 120.313 -6.493 18720 8662 1 21 . 1 1 23 23 GLU C C 23 174.470 174.470 174.427 0.043 18720 8663 1 21 . 1 1 23 23 GLU CA C 23 55.330 55.330 55.303 0.027 18720 8664 1 21 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.354 0.686 18720 8665 1 21 . 1 1 24 24 ILE N N 24 125.650 125.650 126.155 -0.505 18720 8666 1 21 . 1 1 24 24 ILE C C 24 175.360 175.360 175.994 -0.634 18720 8667 1 21 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.466 1.304 18720 8668 1 21 . 1 1 24 24 ILE CB C 24 38.610 38.610 38.998 -0.388 18720 8669 1 21 . 1 1 25 25 VAL N N 25 127.290 127.290 127.002 0.288 18720 8670 1 21 . 1 1 25 25 VAL C C 25 175.240 175.240 176.054 -0.814 18720 8671 1 21 . 1 1 25 25 VAL CA C 25 63.620 63.620 63.248 0.372 18720 8672 1 21 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.541 0.799 18720 8673 1 21 . 1 1 26 26 ASP N N 26 117.410 117.410 117.426 -0.016 18720 8674 1 21 . 1 1 26 26 ASP C C 26 174.000 174.000 174.192 -0.192 18720 8675 1 21 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.604 -0.574 18720 8676 1 21 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.251 0.459 18720 8677 1 21 . 1 1 27 27 SER N N 27 115.600 115.600 116.800 -1.200 18720 8678 1 21 . 1 1 27 27 SER C C 27 172.420 172.420 172.919 -0.499 18720 8679 1 21 . 1 1 27 27 SER CA C 27 57.200 57.200 56.923 0.277 18720 8680 1 21 . 1 1 27 27 SER CB C 27 67.230 67.230 65.788 1.442 18720 8681 1 21 . 1 1 28 28 SER N N 28 113.820 113.820 119.010 -5.190 18720 8682 1 21 . 1 1 28 28 SER C C 28 176.140 176.140 176.093 0.047 18720 8683 1 21 . 1 1 28 28 SER CA C 28 57.840 57.840 55.836 2.004 18720 8684 1 21 . 1 1 28 28 SER CB C 28 65.830 65.830 65.143 0.687 18720 8685 1 21 . 1 1 29 29 SER N N 29 121.670 121.670 124.961 -3.291 18720 8686 1 21 . 1 1 29 29 SER CA C 29 61.900 61.900 61.351 0.549 18720 8687 1 21 . 1 1 29 29 SER CB C 29 63.720 63.720 63.610 0.110 18720 8688 1 21 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.256 0.374 18720 8689 1 21 . 1 1 31 31 VAL N N 31 127.450 127.450 126.224 1.226 18720 8690 1 21 . 1 1 31 31 VAL C C 31 173.480 173.480 173.329 0.151 18720 8691 1 21 . 1 1 31 31 VAL CA C 31 60.330 60.330 61.084 -0.754 18720 8692 1 21 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.567 -0.027 18720 8693 1 21 . 1 1 32 32 ALA N N 32 125.580 125.580 126.732 -1.152 18720 8694 1 21 . 1 1 32 32 ALA C C 32 175.260 175.260 175.039 0.221 18720 8695 1 21 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.713 1.097 18720 8696 1 21 . 1 1 32 32 ALA CB C 32 23.020 23.020 22.818 0.202 18720 8697 1 21 . 1 1 33 33 PHE N N 33 123.530 123.530 122.238 1.292 18720 8698 1 21 . 1 1 33 33 PHE C C 33 174.210 174.210 173.694 0.516 18720 8699 1 21 . 1 1 33 33 PHE CA C 33 56.050 56.050 56.647 -0.597 18720 8700 1 21 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.693 -0.673 18720 8701 1 21 . 1 1 34 34 TYR N N 34 130.040 130.040 126.457 3.583 18720 8702 1 21 . 1 1 34 34 TYR C C 34 173.300 173.300 174.950 -1.650 18720 8703 1 21 . 1 1 34 34 TYR CA C 34 57.500 57.500 57.157 0.343 18720 8704 1 21 . 1 1 34 34 TYR CB C 34 44.150 44.150 43.130 1.020 18720 8705 1 21 . 1 1 35 35 THR N N 35 109.080 109.080 118.541 -9.461 18720 8706 1 21 . 1 1 35 35 THR C C 35 172.150 172.150 172.670 -0.520 18720 8707 1 21 . 1 1 35 35 THR CA C 35 59.670 59.670 61.551 -1.881 18720 8708 1 21 . 1 1 35 35 THR CB C 35 70.820 70.820 71.637 -0.817 18720 8709 1 21 . 1 1 36 36 PHE N N 36 126.090 126.090 125.535 0.555 18720 8710 1 21 . 1 1 36 36 PHE C C 36 173.570 173.570 173.665 -0.095 18720 8711 1 21 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.296 1.614 18720 8712 1 21 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.449 -2.679 18720 8713 1 21 . 1 1 37 37 ASN N N 37 128.500 128.500 124.804 3.696 18720 8714 1 21 . 1 1 37 37 ASN C C 37 175.280 175.280 175.303 -0.023 18720 8715 1 21 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.264 0.266 18720 8716 1 21 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.458 -1.728 18720 8717 1 21 . 1 1 38 38 SER N N 38 121.880 121.880 121.362 0.518 18720 8718 1 21 . 1 1 38 38 SER CB C 38 63.050 63.050 63.321 -0.271 18720 8719 1 21 . 1 1 39 39 SER C C 39 175.410 175.410 175.888 -0.478 18720 8720 1 21 . 1 1 39 39 SER CA C 39 61.020 61.020 61.051 -0.031 18720 8721 1 21 . 1 1 39 39 SER CB C 39 62.700 62.700 63.379 -0.679 18720 8722 1 21 . 1 1 40 40 GLN N N 40 117.370 117.370 118.302 -0.932 18720 8723 1 21 . 1 1 40 40 GLN C C 40 174.910 174.910 175.578 -0.668 18720 8724 1 21 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.631 -0.831 18720 8725 1 21 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.735 0.074 18720 8726 1 21 . 1 1 41 41 ASN N N 41 118.400 118.400 116.291 2.109 18720 8727 1 21 . 1 1 41 41 ASN C C 41 173.240 173.240 173.487 -0.247 18720 8728 1 21 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.226 -0.026 18720 8729 1 21 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.780 -0.140 18720 8730 1 21 . 1 1 42 42 GLU N N 42 112.910 112.910 116.855 -3.945 18720 8731 1 21 . 1 1 42 42 GLU C C 42 174.620 174.620 174.313 0.307 18720 8732 1 21 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.964 -0.854 18720 8733 1 21 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.438 1.012 18720 8734 1 21 . 1 1 43 43 TRP N N 43 123.140 123.140 120.747 2.393 18720 8735 1 21 . 1 1 43 43 TRP C C 43 175.850 175.850 176.929 -1.079 18720 8736 1 21 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.100 0.540 18720 8737 1 21 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.954 0.656 18720 8738 1 21 . 1 1 44 44 GLU N N 44 120.660 120.660 122.783 -2.123 18720 8739 1 21 . 1 1 44 44 GLU C C 44 175.030 175.030 175.469 -0.439 18720 8740 1 21 . 1 1 44 44 GLU CA C 44 55.120 55.120 55.114 0.006 18720 8741 1 21 . 1 1 44 44 GLU CB C 44 32.110 32.110 32.917 -0.807 18720 8742 1 21 . 1 1 45 45 LYS N N 45 123.100 123.100 127.145 -4.045 18720 8743 1 21 . 1 1 45 45 LYS C C 45 176.810 176.810 176.552 0.258 18720 8744 1 21 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.618 0.342 18720 8745 1 21 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.880 0.459 18720 8746 1 21 . 1 1 46 46 THR N N 46 114.570 114.570 119.426 -4.856 18720 8747 1 21 . 1 1 46 46 THR C C 46 174.130 174.130 174.826 -0.696 18720 8748 1 21 . 1 1 46 46 THR CA C 46 61.720 61.720 60.773 0.947 18720 8749 1 21 . 1 1 46 46 THR CB C 46 71.720 71.720 69.750 1.970 18720 8750 1 21 . 1 1 47 47 ASP N N 47 118.590 118.590 119.495 -0.905 18720 8751 1 21 . 1 1 47 47 ASP C C 47 174.390 174.390 175.615 -1.225 18720 8752 1 21 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.675 -0.765 18720 8753 1 21 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.351 -0.481 18720 8754 1 21 . 1 1 48 48 VAL N N 48 118.730 118.730 120.822 -2.092 18720 8755 1 21 . 1 1 48 48 VAL C C 48 174.840 174.840 173.589 1.251 18720 8756 1 21 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.810 0.550 18720 8757 1 21 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.852 0.537 18720 8758 1 21 . 1 1 49 49 GLU N N 49 127.180 127.180 128.719 -1.539 18720 8759 1 21 . 1 1 49 49 GLU C C 49 174.140 174.140 175.149 -1.009 18720 8760 1 21 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.033 0.196 18720 8761 1 21 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.614 0.256 18720 8762 1 21 . 1 1 50 50 GLY N N 50 110.640 110.640 112.083 -1.443 18720 8763 1 21 . 1 1 50 50 GLY C C 50 171.360 171.360 171.879 -0.519 18720 8764 1 21 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.044 0.676 18720 8765 1 21 . 1 1 51 51 ALA N N 51 124.800 124.800 121.878 2.922 18720 8766 1 21 . 1 1 51 51 ALA C C 51 174.220 174.220 175.796 -1.576 18720 8767 1 21 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.239 1.431 18720 8768 1 21 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.791 -0.521 18720 8769 1 21 . 1 1 52 52 PHE N N 52 123.680 123.680 125.862 -2.182 18720 8770 1 21 . 1 1 52 52 PHE C C 52 173.650 173.650 173.407 0.243 18720 8771 1 21 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.309 -0.389 18720 8772 1 21 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.292 2.408 18720 8773 1 21 . 1 1 53 53 PHE N N 53 123.690 123.690 126.486 -2.796 18720 8774 1 21 . 1 1 53 53 PHE C C 53 174.760 174.760 174.076 0.684 18720 8775 1 21 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.574 0.946 18720 8776 1 21 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.630 -0.210 18720 8777 1 21 . 1 1 54 54 ILE N N 54 119.970 119.970 121.428 -1.458 18720 8778 1 21 . 1 1 54 54 ILE C C 54 175.240 175.240 174.694 0.546 18720 8779 1 21 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.820 -1.330 18720 8780 1 21 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.430 -0.540 18720 8781 1 21 . 1 1 55 55 TYR N N 55 125.670 125.670 126.666 -0.996 18720 8782 1 21 . 1 1 55 55 TYR C C 55 170.980 170.980 174.990 -4.010 18720 8783 1 21 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.453 0.867 18720 8784 1 21 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.833 2.147 18720 8785 1 21 . 1 1 56 56 HIS N N 56 121.710 121.710 122.905 -1.195 18720 8786 1 21 . 1 1 56 56 HIS C C 56 175.000 175.000 173.522 1.478 18720 8787 1 21 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.881 -2.151 18720 8788 1 21 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.469 -0.169 18720 8789 1 21 . 1 1 57 57 ARG N N 57 126.870 126.870 123.437 3.433 18720 8790 1 21 . 1 1 57 57 ARG C C 57 174.770 174.770 174.395 0.375 18720 8791 1 21 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.333 0.697 18720 8792 1 21 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.291 1.799 18720 8793 1 21 . 1 1 58 58 ASN N N 58 115.660 115.660 122.150 -6.490 18720 8794 1 21 . 1 1 58 58 ASN C C 58 173.540 173.540 173.937 -0.397 18720 8795 1 21 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.520 -0.750 18720 8796 1 21 . 1 1 58 58 ASN CB C 58 39.180 39.180 38.375 0.805 18720 8797 1 21 . 1 1 59 59 ALA N N 59 120.190 120.190 120.835 -0.645 18720 8798 1 21 . 1 1 59 59 ALA C C 59 173.000 173.000 174.644 -1.644 18720 8799 1 21 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.721 -0.381 18720 8800 1 21 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.003 0.877 18720 8801 1 21 . 1 1 60 60 GLU N N 60 117.270 117.270 119.059 -1.789 18720 8802 1 21 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.217 0.293 18720 8803 1 21 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.646 0.024 18720 8804 1 21 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.310 -0.250 18720 8805 1 21 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.366 1.264 18720 8806 1 21 . 1 1 62 62 PHE N N 62 120.680 120.680 119.831 0.849 18720 8807 1 21 . 1 1 62 62 PHE C C 62 174.840 174.840 175.742 -0.902 18720 8808 1 21 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.800 -1.020 18720 8809 1 21 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.805 -0.585 18720 8810 1 21 . 1 1 63 63 HIS N N 63 115.820 115.820 113.023 2.797 18720 8811 1 21 . 1 1 63 63 HIS C C 63 174.540 174.540 173.884 0.656 18720 8812 1 21 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.633 0.357 18720 8813 1 21 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.463 0.867 18720 8814 1 21 . 1 1 64 64 SER N N 64 114.040 114.040 116.870 -2.830 18720 8815 1 21 . 1 1 64 64 SER C C 64 169.620 169.620 172.279 -2.659 18720 8816 1 21 . 1 1 64 64 SER CA C 64 55.980 55.980 57.533 -1.553 18720 8817 1 21 . 1 1 64 64 SER CB C 64 66.770 66.770 65.565 1.205 18720 8818 1 21 . 1 1 65 65 ILE N N 65 125.090 125.090 122.928 2.162 18720 8819 1 21 . 1 1 65 65 ILE C C 65 174.630 174.630 173.917 0.713 18720 8820 1 21 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.533 -0.313 18720 8821 1 21 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.694 -0.104 18720 8822 1 21 . 1 1 66 66 PHE N N 66 127.730 127.730 126.580 1.150 18720 8823 1 21 . 1 1 66 66 PHE C C 66 174.680 174.680 172.997 1.683 18720 8824 1 21 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.687 -0.387 18720 8825 1 21 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.285 1.745 18720 8826 1 21 . 1 1 67 67 ILE N N 67 124.780 124.780 124.702 0.078 18720 8827 1 21 . 1 1 67 67 ILE C C 67 174.180 174.180 173.677 0.503 18720 8828 1 21 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.675 -0.005 18720 8829 1 21 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.131 -0.411 18720 8830 1 21 . 1 1 68 68 ASN N N 68 124.620 124.620 125.274 -0.654 18720 8831 1 21 . 1 1 68 68 ASN C C 68 174.260 174.260 173.920 0.340 18720 8832 1 21 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.912 -0.842 18720 8833 1 21 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.581 -0.581 18720 8834 1 21 . 1 1 69 69 ASN N N 69 124.120 124.120 125.519 -1.399 18720 8835 1 21 . 1 1 69 69 ASN C C 69 175.740 175.740 176.106 -0.366 18720 8836 1 21 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.848 0.352 18720 8837 1 21 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.704 0.816 18720 8838 1 21 . 1 1 70 70 ARG N N 70 123.310 123.310 126.907 -3.597 18720 8839 1 21 . 1 1 70 70 ARG CA C 70 56.960 56.960 59.104 -2.144 18720 8840 1 21 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.529 0.531 18720 8841 1 21 . 1 1 73 73 THR C C 73 175.310 175.310 173.107 2.203 18720 8842 1 21 . 1 1 73 73 THR CA C 73 62.320 62.320 63.712 -1.392 18720 8843 1 21 . 1 1 73 73 THR CB C 73 69.070 69.070 67.183 1.887 18720 8844 1 21 . 1 1 74 74 THR N N 74 119.010 119.010 116.533 2.477 18720 8845 1 21 . 1 1 74 74 THR C C 74 173.810 173.810 173.700 0.110 18720 8846 1 21 . 1 1 74 74 THR CA C 74 62.700 62.700 61.381 1.319 18720 8847 1 21 . 1 1 74 74 THR CB C 74 69.750 69.750 71.228 -1.478 18720 8848 1 21 . 1 1 75 75 SER N N 75 120.750 120.750 121.096 -0.346 18720 8849 1 21 . 1 1 75 75 SER C C 75 172.250 172.250 173.678 -1.428 18720 8850 1 21 . 1 1 75 75 SER CA C 75 58.300 58.300 58.219 0.081 18720 8851 1 21 . 1 1 75 75 SER CB C 75 65.290 65.290 63.999 1.291 18720 8852 1 21 . 1 1 76 76 PHE N N 76 122.090 122.090 128.003 -5.913 18720 8853 1 21 . 1 1 76 76 PHE C C 76 172.040 172.040 172.803 -0.763 18720 8854 1 21 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.350 0.430 18720 8855 1 21 . 1 1 76 76 PHE CB C 76 43.300 43.300 41.712 1.588 18720 8856 1 21 . 1 1 77 77 VAL N N 77 124.490 124.490 126.279 -1.789 18720 8857 1 21 . 1 1 77 77 VAL C C 77 174.390 174.390 174.327 0.063 18720 8858 1 21 . 1 1 77 77 VAL CA C 77 59.740 59.740 60.589 -0.849 18720 8859 1 21 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.137 0.473 18720 8860 1 21 . 1 1 78 78 GLU N N 78 125.760 125.760 125.492 0.268 18720 8861 1 21 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.948 -0.828 18720 8862 1 21 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.312 0.478 18720 8863 1 21 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.469 0.301 18720 8864 1 21 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.711 -0.151 18720 8865 1 21 . 1 1 80 80 ILE N N 80 123.190 123.190 123.213 -0.023 18720 8866 1 21 . 1 1 80 80 ILE C C 80 174.250 174.250 175.930 -1.680 18720 8867 1 21 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.619 -0.199 18720 8868 1 21 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.365 -1.725 18720 8869 1 21 . 1 1 81 81 THR N N 81 115.840 115.840 118.739 -2.899 18720 8870 1 21 . 1 1 81 81 THR C C 81 174.140 174.140 175.183 -1.043 18720 8871 1 21 . 1 1 81 81 THR CA C 81 59.500 59.500 60.491 -0.991 18720 8872 1 21 . 1 1 81 81 THR CB C 81 71.030 71.030 71.664 -0.634 18720 8873 1 21 . 1 1 82 82 GLY N N 82 128.890 128.890 109.255 19.635 18720 8874 1 21 . 1 1 82 82 GLY C C 82 176.630 176.630 174.438 2.192 18720 8875 1 21 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.191 1.230 18720 8876 1 21 . 1 1 83 83 SER N N 83 113.780 113.780 116.267 -2.487 18720 8877 1 21 . 1 1 83 83 SER C C 83 173.410 173.410 174.845 -1.435 18720 8878 1 21 . 1 1 83 83 SER CA C 83 57.840 57.840 58.317 -0.477 18720 8879 1 21 . 1 1 83 83 SER CB C 83 63.480 63.480 64.167 -0.687 18720 8880 1 21 . 1 1 84 84 LEU N N 84 123.770 123.770 123.859 -0.089 18720 8881 1 21 . 1 1 84 84 LEU C C 84 175.350 175.350 176.004 -0.654 18720 8882 1 21 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.360 0.770 18720 8883 1 21 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.651 0.038 18720 8884 1 21 . 1 1 85 85 GLU N N 85 124.380 124.380 122.708 1.672 18720 8885 1 21 . 1 1 85 85 GLU C C 85 174.280 174.280 174.831 -0.551 18720 8886 1 21 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.300 -0.430 18720 8887 1 21 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.196 1.224 18720 8888 1 21 . 1 1 86 86 LEU N N 86 121.400 121.400 124.769 -3.369 18720 8889 1 21 . 1 1 86 86 LEU C C 86 177.240 177.240 176.840 0.400 18720 8890 1 21 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.810 0.680 18720 8891 1 21 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.529 1.591 18720 8892 1 21 . 1 1 87 87 GLN N N 87 121.690 121.690 119.851 1.839 18720 8893 1 21 . 1 1 87 87 GLN C C 87 173.460 173.460 174.011 -0.551 18720 8894 1 21 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.679 1.401 18720 8895 1 21 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.205 -1.435 18720 8896 1 21 . 1 1 88 88 SER N N 88 120.000 120.000 117.775 2.225 18720 8897 1 21 . 1 1 88 88 SER C C 88 174.930 174.930 173.741 1.189 18720 8898 1 21 . 1 1 88 88 SER CA C 88 57.540 57.540 57.566 -0.026 18720 8899 1 21 . 1 1 88 88 SER CB C 88 63.750 63.750 63.120 0.630 18720 8900 1 21 . 1 1 89 89 GLN N N 89 129.170 129.170 127.343 1.827 18720 8901 1 21 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.562 1.058 18720 8902 1 21 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.976 -0.476 18720 8903 1 21 . 1 1 93 93 LEU C C 93 173.810 173.810 174.408 -0.598 18720 8904 1 21 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.845 0.045 18720 8905 1 21 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.554 0.236 18720 8906 1 21 . 1 1 94 94 LEU N N 94 125.950 125.950 127.822 -1.872 18720 8907 1 21 . 1 1 94 94 LEU C C 94 175.680 175.680 174.328 1.352 18720 8908 1 21 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.941 1.029 18720 8909 1 21 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.344 -2.064 18720 8910 1 21 . 1 1 95 95 TYR N N 95 118.250 118.250 121.229 -2.979 18720 8911 1 21 . 1 1 95 95 TYR C C 95 171.830 171.830 173.440 -1.610 18720 8912 1 21 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.318 1.802 18720 8913 1 21 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.208 0.402 18720 8914 1 21 . 1 1 96 96 ARG N N 96 114.570 114.570 119.890 -5.320 18720 8915 1 21 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.720 -1.520 18720 8916 1 21 . 1 1 96 96 ARG CB C 96 32.980 32.980 33.315 -0.335 18720 8917 1 21 . 1 1 99 99 ARG C C 99 175.470 175.470 175.578 -0.108 18720 8918 1 21 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.316 1.064 18720 8919 1 21 . 1 1 100 100 SER N N 100 110.460 110.460 109.710 0.750 18720 8920 1 21 . 1 1 100 100 SER C C 100 173.620 173.620 173.731 -0.111 18720 8921 1 21 . 1 1 100 100 SER CA C 100 59.570 59.570 59.173 0.397 18720 8922 1 21 . 1 1 100 100 SER CB C 100 62.640 62.640 62.449 0.191 18720 8923 1 21 . 1 1 101 101 ARG N N 101 119.500 119.500 119.626 -0.126 18720 8924 1 21 . 1 1 101 101 ARG C C 101 174.900 174.900 174.408 0.492 18720 8925 1 21 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.512 -0.002 18720 8926 1 21 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.281 -1.811 18720 8927 1 21 . 1 1 102 102 ILE N N 102 124.730 124.730 122.926 1.804 18720 8928 1 21 . 1 1 102 102 ILE C C 102 175.360 175.360 174.663 0.697 18720 8929 1 21 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.562 1.108 18720 8930 1 21 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.529 -0.799 18720 8931 1 21 . 1 1 103 103 ARG N N 103 130.770 130.770 125.414 5.356 18720 8932 1 21 . 1 1 103 103 ARG C C 103 173.480 173.480 174.737 -1.257 18720 8933 1 21 . 1 1 103 103 ARG CA C 103 54.830 54.830 53.110 1.720 18720 8934 1 21 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.047 2.243 18720 8935 1 21 . 1 1 104 104 GLY N N 104 128.260 128.260 107.738 20.522 18720 8936 1 21 . 1 1 104 104 GLY C C 104 170.890 170.890 171.419 -0.529 18720 8937 1 21 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.102 2.338 18720 8938 1 21 . 1 1 105 105 PHE N N 105 118.120 118.120 118.080 0.040 18720 8939 1 21 . 1 1 105 105 PHE C C 105 173.920 173.920 173.624 0.296 18720 8940 1 21 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.707 -2.047 18720 8941 1 21 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.929 -0.709 18720 8942 1 21 . 1 1 106 106 TRP N N 106 124.290 124.290 124.285 0.005 18720 8943 1 21 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.686 -0.276 18720 8944 1 21 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.346 -0.466 18720 8945 1 21 . 1 1 110 110 SER C C 110 175.240 175.240 175.935 -0.695 18720 8946 1 21 . 1 1 110 110 SER CA C 110 62.920 62.920 60.755 2.165 18720 8947 1 21 . 1 1 110 110 SER CB C 110 64.980 64.980 63.293 1.687 18720 8948 1 21 . 1 1 111 111 GLU N N 111 122.310 122.310 119.283 3.027 18720 8949 1 21 . 1 1 111 111 GLU C C 111 179.150 179.150 178.519 0.631 18720 8950 1 21 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.462 0.078 18720 8951 1 21 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.157 -0.587 18720 8952 1 21 . 1 1 112 112 GLU N N 112 118.920 118.920 120.049 -1.129 18720 8953 1 21 . 1 1 112 112 GLU C C 112 176.360 176.360 178.442 -2.082 18720 8954 1 21 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.124 -1.044 18720 8955 1 21 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.516 0.724 18720 8956 1 21 . 1 1 113 113 CYS N N 113 117.090 117.090 117.553 -0.463 18720 8957 1 21 . 1 1 113 113 CYS C C 113 176.110 176.110 176.199 -0.089 18720 8958 1 21 . 1 1 113 113 CYS CA C 113 61.500 61.500 61.645 -0.145 18720 8959 1 21 . 1 1 113 113 CYS CB C 113 26.800 26.800 25.766 1.034 18720 8960 1 21 . 1 1 114 114 ASP N N 114 118.820 118.820 121.312 -2.492 18720 8961 1 21 . 1 1 114 114 ASP C C 114 178.460 178.460 178.433 0.027 18720 8962 1 21 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.236 0.104 18720 8963 1 21 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.571 0.499 18720 8964 1 21 . 1 1 115 115 ARG N N 115 120.870 120.870 119.667 1.203 18720 8965 1 21 . 1 1 115 115 ARG C C 115 179.440 179.440 178.679 0.761 18720 8966 1 21 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.325 0.326 18720 8967 1 21 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.004 0.696 18720 8968 1 21 . 1 1 116 116 ILE N N 116 119.500 119.500 118.638 0.862 18720 8969 1 21 . 1 1 116 116 ILE C C 116 177.680 177.680 177.883 -0.203 18720 8970 1 21 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.877 -1.937 18720 8971 1 21 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.607 -1.887 18720 8972 1 21 . 1 1 117 117 SER N N 117 115.890 115.890 115.791 0.099 18720 8973 1 21 . 1 1 117 117 SER C C 117 176.720 176.720 176.821 -0.101 18720 8974 1 21 . 1 1 117 117 SER CA C 117 62.630 62.630 61.694 0.936 18720 8975 1 21 . 1 1 117 117 SER CB C 117 62.660 62.660 62.815 -0.155 18720 8976 1 21 . 1 1 118 118 GLY N N 118 130.780 130.780 110.745 20.035 18720 8977 1 21 . 1 1 118 118 GLY C C 118 176.570 176.570 175.847 0.723 18720 8978 1 21 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.041 0.049 18720 8979 1 21 . 1 1 119 119 LEU N N 119 124.450 124.450 122.702 1.748 18720 8980 1 21 . 1 1 119 119 LEU C C 119 179.470 179.470 178.938 0.532 18720 8981 1 21 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.859 -0.049 18720 8982 1 21 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.855 0.455 18720 8983 1 21 . 1 1 120 120 VAL N N 120 119.140 119.140 119.404 -0.264 18720 8984 1 21 . 1 1 120 120 VAL C C 120 177.380 177.380 177.998 -0.618 18720 8985 1 21 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.727 0.703 18720 8986 1 21 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.342 -0.472 18720 8987 1 21 . 1 1 121 121 ASN N N 121 116.650 116.650 118.337 -1.687 18720 8988 1 21 . 1 1 121 121 ASN C C 121 178.330 178.330 178.036 0.294 18720 8989 1 21 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.167 0.503 18720 8990 1 21 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.631 0.929 18720 8991 1 21 . 1 1 122 122 GLY N N 122 129.450 129.450 108.651 20.799 18720 8992 1 21 . 1 1 122 122 GLY C C 122 176.190 176.190 175.995 0.195 18720 8993 1 21 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.860 -0.080 18720 8994 1 21 . 1 1 123 123 LEU N N 123 121.510 121.510 122.378 -0.868 18720 8995 1 21 . 1 1 123 123 LEU C C 123 179.060 179.060 180.085 -1.025 18720 8996 1 21 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.248 -0.858 18720 8997 1 21 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.630 -0.040 18720 8998 1 21 . 1 1 124 124 LEU N N 124 119.080 119.080 118.041 1.039 18720 8999 1 21 . 1 1 124 124 LEU C C 124 177.880 177.880 178.126 -0.246 18720 9000 1 21 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.671 -1.391 18720 9001 1 21 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.587 0.713 18720 9002 1 21 . 1 1 125 125 LYS N N 125 118.600 118.600 113.985 4.615 18720 9003 1 21 . 1 1 125 125 LYS C C 125 176.540 176.540 176.237 0.303 18720 9004 1 21 . 1 1 125 125 LYS CA C 125 56.470 56.470 56.079 0.391 18720 9005 1 21 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.384 0.346 18720 9006 1 21 . 1 1 126 126 SER N N 126 116.570 116.570 115.389 1.181 18720 9007 1 21 . 1 1 126 126 SER C C 126 173.590 173.590 173.015 0.575 18720 9008 1 21 . 1 1 126 126 SER CA C 126 58.550 58.550 57.730 0.820 18720 9009 1 21 . 1 1 126 126 SER CB C 126 63.880 63.880 65.084 -1.204 18720 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 106 4.721 -0.359 4.729 18720 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18720 3 1 1 "Average Difference" C 101 0.990 0.169 0.980 18720 4 1 1 "Average Difference" CA 113 0.998 -0.075 1.000 18720 5 1 1 "Average Difference" CB 109 0.959 -0.160 0.949 18720 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18720 7 1 2 "Average Difference" N 106 4.721 -0.309 4.734 18720 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18720 9 1 2 "Average Difference" C 101 0.998 0.161 0.989 18720 10 1 2 "Average Difference" CA 113 0.937 -0.078 0.938 18720 11 1 2 "Average Difference" CB 109 0.985 -0.172 0.975 18720 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18720 13 1 3 "Average Difference" N 106 4.662 -0.370 4.669 18720 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18720 15 1 3 "Average Difference" C 101 0.980 0.166 0.970 18720 16 1 3 "Average Difference" CA 113 0.988 -0.017 0.993 18720 17 1 3 "Average Difference" CB 109 0.970 -0.185 0.957 18720 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18720 19 1 4 "Average Difference" N 106 4.608 -0.460 4.607 18720 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18720 21 1 4 "Average Difference" C 101 0.981 0.192 0.966 18720 22 1 4 "Average Difference" CA 113 0.995 -0.027 0.999 18720 23 1 4 "Average Difference" CB 109 1.015 -0.180 1.003 18720 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18720 25 1 5 "Average Difference" N 106 4.677 -0.395 4.682 18720 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18720 27 1 5 "Average Difference" C 101 0.959 0.171 0.948 18720 28 1 5 "Average Difference" CA 113 0.987 -0.059 0.990 18720 29 1 5 "Average Difference" CB 109 0.971 -0.172 0.960 18720 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18720 31 1 6 "Average Difference" N 106 4.568 -0.351 4.576 18720 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18720 33 1 6 "Average Difference" C 101 0.968 0.213 0.949 18720 34 1 6 "Average Difference" CA 113 0.980 -0.022 0.984 18720 35 1 6 "Average Difference" CB 109 1.011 -0.231 0.988 18720 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18720 37 1 7 "Average Difference" N 106 4.616 -0.321 4.626 18720 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18720 39 1 7 "Average Difference" C 101 0.980 0.139 0.975 18720 40 1 7 "Average Difference" CA 113 1.010 -0.103 1.009 18720 41 1 7 "Average Difference" CB 109 1.004 -0.142 0.999 18720 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18720 43 1 8 "Average Difference" N 106 4.650 -0.347 4.659 18720 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18720 45 1 8 "Average Difference" C 101 0.955 0.185 0.942 18720 46 1 8 "Average Difference" CA 113 0.987 -0.069 0.989 18720 47 1 8 "Average Difference" CB 109 0.963 -0.144 0.956 18720 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18720 49 1 9 "Average Difference" N 106 4.659 -0.326 4.669 18720 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18720 51 1 9 "Average Difference" C 101 0.980 0.176 0.969 18720 52 1 9 "Average Difference" CA 113 0.993 -0.031 0.997 18720 53 1 9 "Average Difference" CB 109 1.009 -0.135 1.005 18720 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18720 55 1 10 "Average Difference" N 106 4.536 -0.314 4.547 18720 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18720 57 1 10 "Average Difference" C 101 0.984 0.185 0.971 18720 58 1 10 "Average Difference" CA 113 0.985 -0.010 0.989 18720 59 1 10 "Average Difference" CB 109 1.024 -0.178 1.013 18720 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18720 61 1 11 "Average Difference" N 106 4.639 -0.413 4.643 18720 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 18720 63 1 11 "Average Difference" C 101 0.984 0.190 0.971 18720 64 1 11 "Average Difference" CA 113 0.998 -0.011 1.003 18720 65 1 11 "Average Difference" CB 109 1.018 -0.178 1.007 18720 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 18720 67 1 12 "Average Difference" N 106 4.619 -0.363 4.627 18720 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 18720 69 1 12 "Average Difference" C 101 0.991 0.163 0.983 18720 70 1 12 "Average Difference" CA 113 0.944 -0.062 0.946 18720 71 1 12 "Average Difference" CB 109 1.013 -0.168 1.003 18720 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 18720 73 1 13 "Average Difference" N 106 4.623 -0.274 4.637 18720 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 18720 75 1 13 "Average Difference" C 101 1.004 0.157 0.996 18720 76 1 13 "Average Difference" CA 113 0.945 -0.055 0.948 18720 77 1 13 "Average Difference" CB 109 1.003 -0.190 0.989 18720 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 18720 79 1 14 "Average Difference" N 106 4.644 -0.326 4.655 18720 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 18720 81 1 14 "Average Difference" C 101 0.973 0.171 0.963 18720 82 1 14 "Average Difference" CA 113 0.987 -0.015 0.991 18720 83 1 14 "Average Difference" CB 109 1.029 -0.159 1.022 18720 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 18720 85 1 15 "Average Difference" N 106 4.673 -0.335 4.683 18720 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 18720 87 1 15 "Average Difference" C 101 0.987 0.174 0.976 18720 88 1 15 "Average Difference" CA 113 0.968 -0.011 0.972 18720 89 1 15 "Average Difference" CB 109 1.002 -0.181 0.990 18720 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 18720 91 1 16 "Average Difference" N 106 4.597 -0.418 4.600 18720 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 18720 93 1 16 "Average Difference" C 101 0.969 0.136 0.964 18720 94 1 16 "Average Difference" CA 113 0.973 -0.060 0.976 18720 95 1 16 "Average Difference" CB 109 1.003 -0.138 0.998 18720 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 18720 97 1 17 "Average Difference" N 106 4.695 -0.280 4.709 18720 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 18720 99 1 17 "Average Difference" C 101 0.977 0.180 0.965 18720 100 1 17 "Average Difference" CA 113 0.992 -0.057 0.995 18720 101 1 17 "Average Difference" CB 109 0.996 -0.168 0.986 18720 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 18720 103 1 18 "Average Difference" N 106 4.524 -0.322 4.534 18720 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 18720 105 1 18 "Average Difference" C 101 0.960 0.186 0.947 18720 106 1 18 "Average Difference" CA 113 1.002 -0.064 1.004 18720 107 1 18 "Average Difference" CB 109 0.960 -0.191 0.945 18720 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 18720 109 1 19 "Average Difference" N 106 4.664 -0.355 4.673 18720 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 18720 111 1 19 "Average Difference" C 101 0.969 0.218 0.949 18720 112 1 19 "Average Difference" CA 113 1.007 -0.049 1.010 18720 113 1 19 "Average Difference" CB 109 1.003 -0.151 0.996 18720 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 18720 115 1 20 "Average Difference" N 106 4.683 -0.282 4.696 18720 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 18720 117 1 20 "Average Difference" C 101 0.983 0.187 0.969 18720 118 1 20 "Average Difference" CA 113 1.015 -0.030 1.019 18720 119 1 20 "Average Difference" CB 109 0.998 -0.199 0.983 18720 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 18720 121 1 21 "Average Difference" N 106 4.686 -0.231 4.703 18720 122 1 21 "Average Difference" HA 0 0.000 0.000 0.000 18720 123 1 21 "Average Difference" C 101 0.982 0.194 0.967 18720 124 1 21 "Average Difference" CA 113 1.025 -0.060 1.028 18720 125 1 21 "Average Difference" CB 109 0.987 -0.152 0.980 18720 126 1 21 "Average Difference" HN 0 0.000 0.000 0.000 18720 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18720 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 123.960 123.960 125.086 -1.126 18720 2 1 . 1 1 2 2 ALA C C 2 177.620 177.620 176.304 1.316 18720 3 1 . 1 1 2 2 ALA CA C 2 52.910 52.910 51.801 1.109 18720 4 1 . 1 1 2 2 ALA CB C 2 19.050 19.050 20.131 -1.081 18720 5 1 . 1 1 3 3 ASP N N 3 119.570 119.570 122.221 -2.651 18720 6 1 . 1 1 3 3 ASP C C 3 177.150 177.150 176.874 0.276 18720 7 1 . 1 1 3 3 ASP CA C 3 54.800 54.800 53.534 1.266 18720 8 1 . 1 1 3 3 ASP CB C 3 41.610 41.610 42.013 -0.403 18720 9 1 . 1 1 4 4 GLU N N 4 123.110 123.110 122.920 0.190 18720 10 1 . 1 1 4 4 GLU C C 4 177.710 177.710 178.192 -0.482 18720 11 1 . 1 1 4 4 GLU CA C 4 58.390 58.390 59.267 -0.877 18720 12 1 . 1 1 4 4 GLU CB C 4 29.800 29.800 29.777 0.023 18720 13 1 . 1 1 5 5 SER N N 5 116.020 116.020 115.301 0.719 18720 14 1 . 1 1 5 5 SER CA C 5 60.870 60.870 61.318 -0.448 18720 15 1 . 1 1 5 5 SER CB C 5 62.940 62.940 62.734 0.206 18720 16 1 . 1 1 6 6 ILE N N 6 123.790 123.790 121.131 2.659 18720 17 1 . 1 1 6 6 ILE C C 6 178.180 178.180 178.044 0.136 18720 18 1 . 1 1 6 6 ILE CA C 6 63.670 63.670 63.575 0.095 18720 19 1 . 1 1 6 6 ILE CB C 6 37.660 37.660 36.629 1.031 18720 20 1 . 1 1 7 7 THR N N 7 117.450 117.450 116.612 0.838 18720 21 1 . 1 1 7 7 THR C C 7 176.030 176.030 176.779 -0.749 18720 22 1 . 1 1 7 7 THR CA C 7 66.370 66.370 66.955 -0.585 18720 23 1 . 1 1 7 7 THR CB C 7 68.640 68.640 68.421 0.219 18720 24 1 . 1 1 8 8 ARG N N 8 120.770 120.770 121.296 -0.526 18720 25 1 . 1 1 8 8 ARG C C 8 179.040 179.040 178.543 0.497 18720 26 1 . 1 1 8 8 ARG CA C 8 59.390 59.390 59.557 -0.167 18720 27 1 . 1 1 8 8 ARG CB C 8 29.990 29.990 29.909 0.080 18720 28 1 . 1 1 9 9 MET N N 9 119.840 119.840 118.539 1.301 18720 29 1 . 1 1 9 9 MET C C 9 178.760 178.760 178.326 0.434 18720 30 1 . 1 1 9 9 MET CA C 9 58.240 58.240 59.257 -1.017 18720 31 1 . 1 1 9 9 MET CB C 9 31.970 31.970 32.188 -0.218 18720 32 1 . 1 1 10 10 ASN N N 10 120.190 120.190 118.693 1.497 18720 33 1 . 1 1 10 10 ASN C C 10 176.660 176.660 177.759 -1.099 18720 34 1 . 1 1 10 10 ASN CA C 10 55.640 55.640 56.119 -0.479 18720 35 1 . 1 1 10 10 ASN CB C 10 38.310 38.310 38.336 -0.026 18720 36 1 . 1 1 11 11 LEU N N 11 121.490 121.490 121.082 0.408 18720 37 1 . 1 1 11 11 LEU C C 11 177.690 177.690 177.898 -0.208 18720 38 1 . 1 1 11 11 LEU CA C 11 57.390 57.390 57.763 -0.373 18720 39 1 . 1 1 11 11 LEU CB C 11 40.980 40.980 41.552 -0.572 18720 40 1 . 1 1 12 12 ALA N N 12 120.380 120.380 121.617 -1.237 18720 41 1 . 1 1 12 12 ALA C C 12 179.910 179.910 179.488 0.422 18720 42 1 . 1 1 12 12 ALA CA C 12 54.890 54.890 55.086 -0.196 18720 43 1 . 1 1 12 12 ALA CB C 12 17.560 17.560 17.912 -0.352 18720 44 1 . 1 1 13 13 ALA N N 13 119.960 119.960 121.161 -1.201 18720 45 1 . 1 1 13 13 ALA C C 13 179.740 179.740 179.975 -0.235 18720 46 1 . 1 1 13 13 ALA CA C 13 54.830 54.830 54.636 0.194 18720 47 1 . 1 1 13 13 ALA CB C 13 17.520 17.520 18.245 -0.725 18720 48 1 . 1 1 14 14 ILE N N 14 118.040 118.040 119.789 -1.749 18720 49 1 . 1 1 14 14 ILE C C 14 178.220 178.220 177.726 0.494 18720 50 1 . 1 1 14 14 ILE CA C 14 64.360 64.360 65.112 -0.752 18720 51 1 . 1 1 14 14 ILE CB C 14 37.140 37.140 37.276 -0.137 18720 52 1 . 1 1 15 15 LYS N N 15 118.740 118.740 117.585 1.155 18720 53 1 . 1 1 15 15 LYS C C 15 177.440 177.440 178.558 -1.118 18720 54 1 . 1 1 15 15 LYS CA C 15 57.820 57.820 58.608 -0.788 18720 55 1 . 1 1 15 15 LYS CB C 15 32.890 32.890 31.868 1.022 18720 56 1 . 1 1 16 16 LYS N N 16 115.750 115.750 118.533 -2.783 18720 57 1 . 1 1 16 16 LYS C C 16 177.060 177.060 177.589 -0.529 18720 58 1 . 1 1 16 16 LYS CA C 16 58.560 58.560 58.648 -0.088 18720 59 1 . 1 1 16 16 LYS CB C 16 32.590 32.590 32.444 0.146 18720 60 1 . 1 1 17 17 ILE N N 17 115.830 115.830 115.752 0.078 18720 61 1 . 1 1 17 17 ILE C C 17 175.500 175.500 176.183 -0.683 18720 62 1 . 1 1 17 17 ILE CA C 17 60.440 60.440 61.525 -1.085 18720 63 1 . 1 1 17 17 ILE CB C 17 38.960 38.960 39.199 -0.239 18720 64 1 . 1 1 18 18 ASP N N 18 119.320 119.320 121.378 -2.058 18720 65 1 . 1 1 18 18 ASP CA C 18 49.740 49.740 50.381 -0.641 18720 66 1 . 1 1 18 18 ASP CB C 18 40.710 40.710 41.566 -0.856 18720 67 1 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.148 -0.548 18720 68 1 . 1 1 19 19 PRO CB C 19 32.010 32.010 31.760 0.250 18720 69 1 . 1 1 20 20 TYR N N 20 115.540 115.540 113.666 1.874 18720 70 1 . 1 1 20 20 TYR C C 20 175.350 175.350 174.541 0.809 18720 71 1 . 1 1 20 20 TYR CA C 20 57.810 57.810 55.008 2.802 18720 72 1 . 1 1 20 20 TYR CB C 20 37.140 37.140 36.857 0.283 18720 73 1 . 1 1 21 21 ALA N N 21 122.720 122.720 123.014 -0.294 18720 74 1 . 1 1 21 21 ALA C C 21 175.410 175.410 176.147 -0.737 18720 75 1 . 1 1 21 21 ALA CA C 21 54.330 54.330 51.359 2.971 18720 76 1 . 1 1 21 21 ALA CB C 21 20.690 20.690 19.120 1.570 18720 77 1 . 1 1 22 22 LYS N N 22 121.370 121.370 123.929 -2.559 18720 78 1 . 1 1 22 22 LYS C C 22 175.400 175.400 176.517 -1.117 18720 79 1 . 1 1 22 22 LYS CA C 22 56.820 56.820 56.882 -0.062 18720 80 1 . 1 1 22 22 LYS CB C 22 35.860 35.860 34.206 1.654 18720 81 1 . 1 1 23 23 GLU N N 23 113.820 113.820 118.327 -4.507 18720 82 1 . 1 1 23 23 GLU C C 23 174.470 174.470 174.484 -0.014 18720 83 1 . 1 1 23 23 GLU CA C 23 55.330 55.330 54.999 0.331 18720 84 1 . 1 1 23 23 GLU CB C 23 33.040 33.040 32.811 0.229 18720 85 1 . 1 1 24 24 ILE N N 24 125.650 125.650 123.764 1.886 18720 86 1 . 1 1 24 24 ILE C C 24 175.360 175.360 176.334 -0.974 18720 87 1 . 1 1 24 24 ILE CA C 24 62.770 62.770 61.641 1.129 18720 88 1 . 1 1 24 24 ILE CB C 24 38.610 38.610 39.234 -0.624 18720 89 1 . 1 1 25 25 VAL N N 25 127.290 127.290 126.835 0.455 18720 90 1 . 1 1 25 25 VAL C C 25 175.240 175.240 175.934 -0.694 18720 91 1 . 1 1 25 25 VAL CA C 25 63.620 63.620 63.871 -0.251 18720 92 1 . 1 1 25 25 VAL CB C 25 33.340 33.340 32.764 0.576 18720 93 1 . 1 1 26 26 ASP N N 26 117.410 117.410 117.215 0.195 18720 94 1 . 1 1 26 26 ASP C C 26 174.000 174.000 173.967 0.033 18720 95 1 . 1 1 26 26 ASP CA C 26 53.030 53.030 53.460 -0.430 18720 96 1 . 1 1 26 26 ASP CB C 26 44.710 44.710 44.321 0.389 18720 97 1 . 1 1 27 27 SER N N 27 115.600 115.600 117.116 -1.516 18720 98 1 . 1 1 27 27 SER C C 27 172.420 172.420 172.900 -0.480 18720 99 1 . 1 1 27 27 SER CA C 27 57.200 57.200 56.873 0.327 18720 100 1 . 1 1 27 27 SER CB C 27 67.230 67.230 65.829 1.401 18720 101 1 . 1 1 28 28 SER N N 28 113.820 113.820 119.597 -5.777 18720 102 1 . 1 1 28 28 SER C C 28 176.140 176.140 175.601 0.539 18720 103 1 . 1 1 28 28 SER CA C 28 57.840 57.840 55.867 1.973 18720 104 1 . 1 1 28 28 SER CB C 28 65.830 65.830 65.014 0.816 18720 105 1 . 1 1 29 29 SER N N 29 121.670 121.670 124.112 -2.442 18720 106 1 . 1 1 29 29 SER CA C 29 61.900 61.900 61.401 0.499 18720 107 1 . 1 1 29 29 SER CB C 29 63.720 63.720 63.606 0.114 18720 108 1 . 1 1 30 30 HIS CA C 30 56.630 56.630 56.006 0.624 18720 109 1 . 1 1 31 31 VAL N N 31 127.450 127.450 125.968 1.482 18720 110 1 . 1 1 31 31 VAL C C 31 173.480 173.480 173.340 0.140 18720 111 1 . 1 1 31 31 VAL CA C 31 60.330 60.330 60.879 -0.549 18720 112 1 . 1 1 31 31 VAL CB C 31 36.540 36.540 36.528 0.012 18720 113 1 . 1 1 32 32 ALA N N 32 125.580 125.580 126.868 -1.288 18720 114 1 . 1 1 32 32 ALA C C 32 175.260 175.260 175.117 0.143 18720 115 1 . 1 1 32 32 ALA CA C 32 50.810 50.810 49.848 0.962 18720 116 1 . 1 1 32 32 ALA CB C 32 23.020 23.020 23.031 -0.011 18720 117 1 . 1 1 33 33 PHE N N 33 123.530 123.530 122.542 0.988 18720 118 1 . 1 1 33 33 PHE C C 33 174.210 174.210 173.529 0.681 18720 119 1 . 1 1 33 33 PHE CA C 33 56.050 56.050 56.407 -0.357 18720 120 1 . 1 1 33 33 PHE CB C 33 41.020 41.020 41.733 -0.713 18720 121 1 . 1 1 34 34 TYR N N 34 130.040 130.040 126.199 3.841 18720 122 1 . 1 1 34 34 TYR C C 34 173.300 173.300 174.949 -1.649 18720 123 1 . 1 1 34 34 TYR CA C 34 57.500 57.500 56.987 0.513 18720 124 1 . 1 1 34 34 TYR CB C 34 44.150 44.150 42.945 1.205 18720 125 1 . 1 1 35 35 THR N N 35 109.080 109.080 118.194 -9.114 18720 126 1 . 1 1 35 35 THR C C 35 172.150 172.150 172.667 -0.517 18720 127 1 . 1 1 35 35 THR CA C 35 59.670 59.670 61.622 -1.952 18720 128 1 . 1 1 35 35 THR CB C 35 70.820 70.820 71.512 -0.692 18720 129 1 . 1 1 36 36 PHE N N 36 126.090 126.090 125.543 0.547 18720 130 1 . 1 1 36 36 PHE C C 36 173.570 173.570 173.584 -0.014 18720 131 1 . 1 1 36 36 PHE CA C 36 57.910 57.910 56.252 1.658 18720 132 1 . 1 1 36 36 PHE CB C 36 38.770 38.770 41.367 -2.597 18720 133 1 . 1 1 37 37 ASN N N 37 128.500 128.500 125.275 3.225 18720 134 1 . 1 1 37 37 ASN C C 37 175.280 175.280 175.098 0.182 18720 135 1 . 1 1 37 37 ASN CA C 37 51.530 51.530 51.455 0.075 18720 136 1 . 1 1 37 37 ASN CB C 37 37.730 37.730 39.358 -1.628 18720 137 1 . 1 1 38 38 SER N N 38 121.880 121.880 122.136 -0.256 18720 138 1 . 1 1 38 38 SER CB C 38 63.050 63.050 63.237 -0.187 18720 139 1 . 1 1 39 39 SER C C 39 175.410 175.410 175.791 -0.381 18720 140 1 . 1 1 39 39 SER CA C 39 61.020 61.020 60.961 0.059 18720 141 1 . 1 1 39 39 SER CB C 39 62.700 62.700 63.329 -0.628 18720 142 1 . 1 1 40 40 GLN N N 40 117.370 117.370 118.763 -1.393 18720 143 1 . 1 1 40 40 GLN C C 40 174.910 174.910 175.780 -0.870 18720 144 1 . 1 1 40 40 GLN CA C 40 54.800 54.800 55.519 -0.719 18720 145 1 . 1 1 40 40 GLN CB C 40 29.810 29.810 29.566 0.244 18720 146 1 . 1 1 41 41 ASN N N 41 118.400 118.400 116.554 1.846 18720 147 1 . 1 1 41 41 ASN C C 41 173.240 173.240 173.491 -0.251 18720 148 1 . 1 1 41 41 ASN CA C 41 54.200 54.200 54.136 0.064 18720 149 1 . 1 1 41 41 ASN CB C 41 37.640 37.640 37.737 -0.097 18720 150 1 . 1 1 42 42 GLU N N 42 112.910 112.910 117.008 -4.098 18720 151 1 . 1 1 42 42 GLU C C 42 174.620 174.620 174.379 0.241 18720 152 1 . 1 1 42 42 GLU CA C 42 54.110 54.110 54.886 -0.776 18720 153 1 . 1 1 42 42 GLU CB C 42 34.450 34.450 33.177 1.273 18720 154 1 . 1 1 43 43 TRP N N 43 123.140 123.140 121.565 1.575 18720 155 1 . 1 1 43 43 TRP C C 43 175.850 175.850 176.736 -0.886 18720 156 1 . 1 1 43 43 TRP CA C 43 57.640 57.640 57.253 0.387 18720 157 1 . 1 1 43 43 TRP CB C 43 31.610 31.610 30.849 0.761 18720 158 1 . 1 1 44 44 GLU N N 44 120.660 120.660 123.319 -2.659 18720 159 1 . 1 1 44 44 GLU C C 44 175.030 175.030 175.388 -0.358 18720 160 1 . 1 1 44 44 GLU CA C 44 55.120 55.120 54.831 0.289 18720 161 1 . 1 1 44 44 GLU CB C 44 32.110 32.110 32.978 -0.868 18720 162 1 . 1 1 45 45 LYS N N 45 123.100 123.100 126.460 -3.360 18720 163 1 . 1 1 45 45 LYS C C 45 176.810 176.810 176.553 0.257 18720 164 1 . 1 1 45 45 LYS CA C 45 56.960 56.960 56.376 0.584 18720 165 1 . 1 1 45 45 LYS CB C 45 33.340 33.340 32.816 0.524 18720 166 1 . 1 1 46 46 THR N N 46 114.570 114.570 117.635 -3.065 18720 167 1 . 1 1 46 46 THR C C 46 174.130 174.130 174.613 -0.483 18720 168 1 . 1 1 46 46 THR CA C 46 61.720 61.720 60.706 1.014 18720 169 1 . 1 1 46 46 THR CB C 46 71.720 71.720 69.841 1.879 18720 170 1 . 1 1 47 47 ASP N N 47 118.590 118.590 119.164 -0.574 18720 171 1 . 1 1 47 47 ASP C C 47 174.390 174.390 175.482 -1.092 18720 172 1 . 1 1 47 47 ASP CA C 47 53.910 53.910 54.355 -0.445 18720 173 1 . 1 1 47 47 ASP CB C 47 39.870 39.870 40.164 -0.294 18720 174 1 . 1 1 48 48 VAL N N 48 118.730 118.730 121.092 -2.362 18720 175 1 . 1 1 48 48 VAL C C 48 174.840 174.840 173.794 1.046 18720 176 1 . 1 1 48 48 VAL CA C 48 62.360 62.360 61.761 0.599 18720 177 1 . 1 1 48 48 VAL CB C 48 32.390 32.390 31.908 0.482 18720 178 1 . 1 1 49 49 GLU N N 49 127.180 127.180 128.632 -1.452 18720 179 1 . 1 1 49 49 GLU C C 49 174.140 174.140 175.134 -0.994 18720 180 1 . 1 1 49 49 GLU CA C 49 55.230 55.230 55.088 0.142 18720 181 1 . 1 1 49 49 GLU CB C 49 32.870 32.870 32.465 0.405 18720 182 1 . 1 1 50 50 GLY N N 50 110.640 110.640 112.092 -1.452 18720 183 1 . 1 1 50 50 GLY C C 50 171.360 171.360 171.899 -0.539 18720 184 1 . 1 1 50 50 GLY CA C 50 45.720 45.720 45.030 0.691 18720 185 1 . 1 1 51 51 ALA N N 51 124.800 124.800 121.778 3.022 18720 186 1 . 1 1 51 51 ALA C C 51 174.220 174.220 175.740 -1.520 18720 187 1 . 1 1 51 51 ALA CA C 51 52.670 52.670 51.247 1.423 18720 188 1 . 1 1 51 51 ALA CB C 51 20.270 20.270 20.631 -0.361 18720 189 1 . 1 1 52 52 PHE N N 52 123.680 123.680 125.705 -2.025 18720 190 1 . 1 1 52 52 PHE C C 52 173.650 173.650 173.368 0.282 18720 191 1 . 1 1 52 52 PHE CA C 52 55.920 55.920 56.216 -0.296 18720 192 1 . 1 1 52 52 PHE CB C 52 43.700 43.700 41.347 2.353 18720 193 1 . 1 1 53 53 PHE N N 53 123.690 123.690 126.402 -2.712 18720 194 1 . 1 1 53 53 PHE C C 53 174.760 174.760 174.075 0.685 18720 195 1 . 1 1 53 53 PHE CA C 53 56.520 56.520 55.513 1.007 18720 196 1 . 1 1 53 53 PHE CB C 53 43.420 43.420 43.565 -0.145 18720 197 1 . 1 1 54 54 ILE N N 54 119.970 119.970 121.379 -1.409 18720 198 1 . 1 1 54 54 ILE C C 54 175.240 175.240 174.701 0.539 18720 199 1 . 1 1 54 54 ILE CA C 54 59.490 59.490 60.806 -1.316 18720 200 1 . 1 1 54 54 ILE CB C 54 38.890 38.890 39.423 -0.533 18720 201 1 . 1 1 55 55 TYR N N 55 125.670 125.670 126.641 -0.971 18720 202 1 . 1 1 55 55 TYR C C 55 170.980 170.980 175.008 -4.028 18720 203 1 . 1 1 55 55 TYR CA C 55 55.320 55.320 54.501 0.819 18720 204 1 . 1 1 55 55 TYR CB C 55 41.980 41.980 39.849 2.131 18720 205 1 . 1 1 56 56 HIS N N 56 121.710 121.710 122.737 -1.027 18720 206 1 . 1 1 56 56 HIS C C 56 175.000 175.000 173.529 1.471 18720 207 1 . 1 1 56 56 HIS CA C 56 52.730 52.730 54.701 -1.971 18720 208 1 . 1 1 56 56 HIS CB C 56 33.300 33.300 33.419 -0.119 18720 209 1 . 1 1 57 57 ARG N N 57 126.870 126.870 124.304 2.566 18720 210 1 . 1 1 57 57 ARG C C 57 174.770 174.770 174.180 0.590 18720 211 1 . 1 1 57 57 ARG CA C 57 55.030 55.030 54.638 0.392 18720 212 1 . 1 1 57 57 ARG CB C 57 35.090 35.090 33.475 1.615 18720 213 1 . 1 1 58 58 ASN N N 58 115.660 115.660 121.102 -5.442 18720 214 1 . 1 1 58 58 ASN C C 58 173.540 173.540 174.061 -0.521 18720 215 1 . 1 1 58 58 ASN CA C 58 52.770 52.770 53.487 -0.717 18720 216 1 . 1 1 58 58 ASN CB C 58 39.180 39.180 37.868 1.312 18720 217 1 . 1 1 59 59 ALA N N 59 120.190 120.190 121.156 -0.966 18720 218 1 . 1 1 59 59 ALA C C 59 173.000 173.000 174.810 -1.810 18720 219 1 . 1 1 59 59 ALA CA C 59 50.340 50.340 50.806 -0.466 18720 220 1 . 1 1 59 59 ALA CB C 59 21.880 21.880 21.119 0.761 18720 221 1 . 1 1 60 60 GLU N N 60 117.270 117.270 119.762 -2.492 18720 222 1 . 1 1 60 60 GLU CA C 60 54.510 54.510 54.459 0.051 18720 223 1 . 1 1 60 60 GLU CB C 60 29.670 29.670 29.594 0.076 18720 224 1 . 1 1 61 61 PRO CA C 61 62.060 62.060 62.506 -0.446 18720 225 1 . 1 1 61 61 PRO CB C 61 33.630 33.630 32.373 1.257 18720 226 1 . 1 1 62 62 PHE N N 62 120.680 120.680 119.387 1.293 18720 227 1 . 1 1 62 62 PHE C C 62 174.840 174.840 175.578 -0.738 18720 228 1 . 1 1 62 62 PHE CA C 62 60.780 60.780 61.669 -0.889 18720 229 1 . 1 1 62 62 PHE CB C 62 39.220 39.220 39.755 -0.535 18720 230 1 . 1 1 63 63 HIS N N 63 115.820 115.820 112.850 2.970 18720 231 1 . 1 1 63 63 HIS C C 63 174.540 174.540 173.917 0.623 18720 232 1 . 1 1 63 63 HIS CA C 63 55.990 55.990 55.582 0.408 18720 233 1 . 1 1 63 63 HIS CB C 63 34.330 34.330 33.636 0.694 18720 234 1 . 1 1 64 64 SER N N 64 114.040 114.040 116.541 -2.501 18720 235 1 . 1 1 64 64 SER C C 64 169.620 169.620 172.231 -2.611 18720 236 1 . 1 1 64 64 SER CA C 64 55.980 55.980 57.699 -1.719 18720 237 1 . 1 1 64 64 SER CB C 64 66.770 66.770 65.599 1.171 18720 238 1 . 1 1 65 65 ILE N N 65 125.090 125.090 122.938 2.152 18720 239 1 . 1 1 65 65 ILE C C 65 174.630 174.630 173.855 0.775 18720 240 1 . 1 1 65 65 ILE CA C 65 60.220 60.220 60.505 -0.285 18720 241 1 . 1 1 65 65 ILE CB C 65 40.590 40.590 40.646 -0.056 18720 242 1 . 1 1 66 66 PHE N N 66 127.730 127.730 126.593 1.137 18720 243 1 . 1 1 66 66 PHE C C 66 174.680 174.680 172.995 1.685 18720 244 1 . 1 1 66 66 PHE CA C 66 55.300 55.300 55.677 -0.377 18720 245 1 . 1 1 66 66 PHE CB C 66 45.030 45.030 43.295 1.735 18720 246 1 . 1 1 67 67 ILE N N 67 124.780 124.780 124.489 0.291 18720 247 1 . 1 1 67 67 ILE C C 67 174.180 174.180 173.691 0.489 18720 248 1 . 1 1 67 67 ILE CA C 67 59.670 59.670 59.621 0.049 18720 249 1 . 1 1 67 67 ILE CB C 67 40.720 40.720 41.232 -0.512 18720 250 1 . 1 1 68 68 ASN N N 68 124.620 124.620 124.902 -0.282 18720 251 1 . 1 1 68 68 ASN C C 68 174.260 174.260 173.985 0.275 18720 252 1 . 1 1 68 68 ASN CA C 68 51.070 51.070 51.885 -0.815 18720 253 1 . 1 1 68 68 ASN CB C 68 39.000 39.000 39.552 -0.552 18720 254 1 . 1 1 69 69 ASN N N 69 124.120 124.120 125.496 -1.376 18720 255 1 . 1 1 69 69 ASN C C 69 175.740 175.740 175.889 -0.149 18720 256 1 . 1 1 69 69 ASN CA C 69 53.200 53.200 52.933 0.267 18720 257 1 . 1 1 69 69 ASN CB C 69 39.520 39.520 38.846 0.674 18720 258 1 . 1 1 70 70 ARG N N 70 123.310 123.310 127.452 -4.142 18720 259 1 . 1 1 70 70 ARG CA C 70 56.960 56.960 58.809 -1.849 18720 260 1 . 1 1 70 70 ARG CB C 70 31.060 31.060 30.534 0.526 18720 261 1 . 1 1 73 73 THR C C 73 175.310 175.310 173.399 1.911 18720 262 1 . 1 1 73 73 THR CA C 73 62.320 62.320 63.773 -1.453 18720 263 1 . 1 1 73 73 THR CB C 73 69.070 69.070 66.665 2.405 18720 264 1 . 1 1 74 74 THR N N 74 119.010 119.010 116.466 2.544 18720 265 1 . 1 1 74 74 THR C C 74 173.810 173.810 173.383 0.427 18720 266 1 . 1 1 74 74 THR CA C 74 62.700 62.700 61.297 1.403 18720 267 1 . 1 1 74 74 THR CB C 74 69.750 69.750 72.098 -2.348 18720 268 1 . 1 1 75 75 SER N N 75 120.750 120.750 119.387 1.363 18720 269 1 . 1 1 75 75 SER C C 75 172.250 172.250 173.530 -1.280 18720 270 1 . 1 1 75 75 SER CA C 75 58.300 58.300 57.849 0.451 18720 271 1 . 1 1 75 75 SER CB C 75 65.290 65.290 64.479 0.811 18720 272 1 . 1 1 76 76 PHE N N 76 122.090 122.090 127.088 -4.998 18720 273 1 . 1 1 76 76 PHE C C 76 172.040 172.040 172.769 -0.729 18720 274 1 . 1 1 76 76 PHE CA C 76 57.780 57.780 57.504 0.276 18720 275 1 . 1 1 76 76 PHE CB C 76 43.300 43.300 42.279 1.021 18720 276 1 . 1 1 77 77 VAL N N 77 124.490 124.490 126.280 -1.790 18720 277 1 . 1 1 77 77 VAL C C 77 174.390 174.390 173.817 0.573 18720 278 1 . 1 1 77 77 VAL CA C 77 59.740 59.740 59.959 -0.219 18720 279 1 . 1 1 77 77 VAL CB C 77 35.610 35.610 35.068 0.542 18720 280 1 . 1 1 78 78 GLU N N 78 125.760 125.760 126.593 -0.833 18720 281 1 . 1 1 78 78 GLU CA C 78 52.120 52.120 52.878 -0.758 18720 282 1 . 1 1 78 78 GLU CB C 78 33.790 33.790 33.236 0.554 18720 283 1 . 1 1 79 79 PRO CA C 79 62.770 62.770 62.446 0.324 18720 284 1 . 1 1 79 79 PRO CB C 79 32.560 32.560 32.699 -0.139 18720 285 1 . 1 1 80 80 ILE N N 80 123.190 123.190 123.143 0.047 18720 286 1 . 1 1 80 80 ILE C C 80 174.250 174.250 176.033 -1.783 18720 287 1 . 1 1 80 80 ILE CA C 80 61.420 61.420 61.591 -0.171 18720 288 1 . 1 1 80 80 ILE CB C 80 36.640 36.640 38.174 -1.534 18720 289 1 . 1 1 81 81 THR N N 81 115.840 115.840 118.232 -2.392 18720 290 1 . 1 1 81 81 THR C C 81 174.140 174.140 175.397 -1.257 18720 291 1 . 1 1 81 81 THR CA C 81 59.500 59.500 60.517 -1.017 18720 292 1 . 1 1 81 81 THR CB C 81 71.030 71.030 71.277 -0.247 18720 293 1 . 1 1 82 82 GLY N N 82 128.890 128.890 109.118 19.772 18720 294 1 . 1 1 82 82 GLY C C 82 176.630 176.630 174.640 1.990 18720 295 1 . 1 1 82 82 GLY CA C 82 46.420 46.420 45.092 1.328 18720 296 1 . 1 1 83 83 SER N N 83 113.780 113.780 115.626 -1.846 18720 297 1 . 1 1 83 83 SER C C 83 173.410 173.410 174.859 -1.449 18720 298 1 . 1 1 83 83 SER CA C 83 57.840 57.840 58.261 -0.421 18720 299 1 . 1 1 83 83 SER CB C 83 63.480 63.480 63.940 -0.460 18720 300 1 . 1 1 84 84 LEU N N 84 123.770 123.770 123.837 -0.067 18720 301 1 . 1 1 84 84 LEU C C 84 175.350 175.350 176.247 -0.897 18720 302 1 . 1 1 84 84 LEU CA C 84 56.130 56.130 55.200 0.930 18720 303 1 . 1 1 84 84 LEU CB C 84 42.690 42.690 42.481 0.209 18720 304 1 . 1 1 85 85 GLU N N 85 124.380 124.380 123.415 0.965 18720 305 1 . 1 1 85 85 GLU C C 85 174.280 174.280 174.875 -0.595 18720 306 1 . 1 1 85 85 GLU CA C 85 54.870 54.870 55.314 -0.444 18720 307 1 . 1 1 85 85 GLU CB C 85 33.420 33.420 32.128 1.292 18720 308 1 . 1 1 86 86 LEU N N 86 121.400 121.400 124.572 -3.172 18720 309 1 . 1 1 86 86 LEU C C 86 177.240 177.240 176.858 0.382 18720 310 1 . 1 1 86 86 LEU CA C 86 54.490 54.490 53.782 0.708 18720 311 1 . 1 1 86 86 LEU CB C 86 46.120 46.120 44.526 1.594 18720 312 1 . 1 1 87 87 GLN N N 87 121.690 121.690 119.479 2.211 18720 313 1 . 1 1 87 87 GLN C C 87 173.460 173.460 174.022 -0.562 18720 314 1 . 1 1 87 87 GLN CA C 87 56.080 56.080 54.675 1.405 18720 315 1 . 1 1 87 87 GLN CB C 87 31.770 31.770 33.166 -1.396 18720 316 1 . 1 1 88 88 SER N N 88 120.000 120.000 117.593 2.407 18720 317 1 . 1 1 88 88 SER C C 88 174.930 174.930 173.741 1.189 18720 318 1 . 1 1 88 88 SER CA C 88 57.540 57.540 57.758 -0.218 18720 319 1 . 1 1 88 88 SER CB C 88 63.750 63.750 63.152 0.598 18720 320 1 . 1 1 89 89 GLN N N 89 129.170 129.170 127.290 1.880 18720 321 1 . 1 1 89 89 GLN CA C 89 53.620 53.620 52.598 1.022 18720 322 1 . 1 1 89 89 GLN CB C 89 29.500 29.500 29.747 -0.247 18720 323 1 . 1 1 93 93 LEU C C 93 173.810 173.810 174.506 -0.696 18720 324 1 . 1 1 93 93 LEU CA C 93 53.890 53.890 53.933 -0.043 18720 325 1 . 1 1 93 93 LEU CB C 93 45.790 45.790 45.295 0.495 18720 326 1 . 1 1 94 94 LEU N N 94 125.950 125.950 127.868 -1.918 18720 327 1 . 1 1 94 94 LEU C C 94 175.680 175.680 174.335 1.345 18720 328 1 . 1 1 94 94 LEU CA C 94 54.970 54.970 53.946 1.024 18720 329 1 . 1 1 94 94 LEU CB C 94 44.280 44.280 46.256 -1.976 18720 330 1 . 1 1 95 95 TYR N N 95 118.250 118.250 121.118 -2.868 18720 331 1 . 1 1 95 95 TYR C C 95 171.830 171.830 173.368 -1.538 18720 332 1 . 1 1 95 95 TYR CA C 95 57.120 57.120 55.516 1.604 18720 333 1 . 1 1 95 95 TYR CB C 95 41.610 41.610 41.254 0.356 18720 334 1 . 1 1 96 96 ARG N N 96 114.570 114.570 119.585 -5.015 18720 335 1 . 1 1 96 96 ARG CA C 96 53.200 53.200 54.831 -1.631 18720 336 1 . 1 1 96 96 ARG CB C 96 32.980 32.980 32.933 0.047 18720 337 1 . 1 1 99 99 ARG C C 99 175.470 175.470 175.350 0.120 18720 338 1 . 1 1 99 99 ARG CB C 99 29.380 29.380 28.548 0.832 18720 339 1 . 1 1 100 100 SER N N 100 110.460 110.460 110.326 0.134 18720 340 1 . 1 1 100 100 SER C C 100 173.620 173.620 173.745 -0.125 18720 341 1 . 1 1 100 100 SER CA C 100 59.570 59.570 59.538 0.032 18720 342 1 . 1 1 100 100 SER CB C 100 62.640 62.640 62.346 0.293 18720 343 1 . 1 1 101 101 ARG N N 101 119.500 119.500 119.302 0.198 18720 344 1 . 1 1 101 101 ARG C C 101 174.900 174.900 174.616 0.284 18720 345 1 . 1 1 101 101 ARG CA C 101 55.510 55.510 55.200 0.310 18720 346 1 . 1 1 101 101 ARG CB C 101 30.470 30.470 32.302 -1.832 18720 347 1 . 1 1 102 102 ILE N N 102 124.730 124.730 122.177 2.553 18720 348 1 . 1 1 102 102 ILE C C 102 175.360 175.360 174.773 0.587 18720 349 1 . 1 1 102 102 ILE CA C 102 61.670 61.670 60.605 1.065 18720 350 1 . 1 1 102 102 ILE CB C 102 38.730 38.730 39.238 -0.508 18720 351 1 . 1 1 103 103 ARG N N 103 130.770 130.770 125.207 5.563 18720 352 1 . 1 1 103 103 ARG C C 103 173.480 173.480 174.501 -1.021 18720 353 1 . 1 1 103 103 ARG CA C 103 54.830 54.830 54.123 0.707 18720 354 1 . 1 1 103 103 ARG CB C 103 36.290 36.290 34.708 1.582 18720 355 1 . 1 1 104 104 GLY N N 104 128.260 128.260 107.823 20.437 18720 356 1 . 1 1 104 104 GLY C C 104 170.890 170.890 171.601 -0.711 18720 357 1 . 1 1 104 104 GLY CA C 104 46.440 46.440 44.213 2.227 18720 358 1 . 1 1 105 105 PHE N N 105 118.120 118.120 117.931 0.189 18720 359 1 . 1 1 105 105 PHE C C 105 173.920 173.920 173.649 0.271 18720 360 1 . 1 1 105 105 PHE CA C 105 54.660 54.660 56.546 -1.886 18720 361 1 . 1 1 105 105 PHE CB C 105 43.220 43.220 43.799 -0.579 18720 362 1 . 1 1 106 106 TRP N N 106 124.290 124.290 124.161 0.129 18720 363 1 . 1 1 106 106 TRP CA C 106 56.410 56.410 56.559 -0.149 18720 364 1 . 1 1 106 106 TRP CB C 106 31.880 31.880 32.214 -0.334 18720 365 1 . 1 1 110 110 SER C C 110 175.240 175.240 175.913 -0.673 18720 366 1 . 1 1 110 110 SER CA C 110 62.920 62.920 61.262 1.658 18720 367 1 . 1 1 110 110 SER CB C 110 64.980 64.980 63.291 1.689 18720 368 1 . 1 1 111 111 GLU N N 111 122.310 122.310 119.927 2.383 18720 369 1 . 1 1 111 111 GLU C C 111 179.150 179.150 178.506 0.644 18720 370 1 . 1 1 111 111 GLU CA C 111 59.540 59.540 59.273 0.267 18720 371 1 . 1 1 111 111 GLU CB C 111 28.570 28.570 29.204 -0.634 18720 372 1 . 1 1 112 112 GLU N N 112 118.920 118.920 120.154 -1.234 18720 373 1 . 1 1 112 112 GLU C C 112 176.360 176.360 178.375 -2.015 18720 374 1 . 1 1 112 112 GLU CA C 112 58.080 58.080 59.122 -1.042 18720 375 1 . 1 1 112 112 GLU CB C 112 30.240 30.240 29.477 0.763 18720 376 1 . 1 1 113 113 CYS N N 113 117.090 117.090 117.376 -0.286 18720 377 1 . 1 1 113 113 CYS C C 113 176.110 176.110 176.169 -0.059 18720 378 1 . 1 1 113 113 CYS CA C 113 61.500 61.500 62.297 -0.797 18720 379 1 . 1 1 113 113 CYS CB C 113 26.800 26.800 26.386 0.414 18720 380 1 . 1 1 114 114 ASP N N 114 118.820 118.820 120.749 -1.929 18720 381 1 . 1 1 114 114 ASP C C 114 178.460 178.460 178.386 0.074 18720 382 1 . 1 1 114 114 ASP CA C 114 57.340 57.340 57.185 0.155 18720 383 1 . 1 1 114 114 ASP CB C 114 41.070 41.070 40.471 0.599 18720 384 1 . 1 1 115 115 ARG N N 115 120.870 120.870 119.379 1.491 18720 385 1 . 1 1 115 115 ARG C C 115 179.440 179.440 178.723 0.717 18720 386 1 . 1 1 115 115 ARG CA C 115 59.650 59.650 59.319 0.332 18720 387 1 . 1 1 115 115 ARG CB C 115 30.700 30.700 30.013 0.687 18720 388 1 . 1 1 116 116 ILE N N 116 119.500 119.500 119.164 0.336 18720 389 1 . 1 1 116 116 ILE C C 116 177.680 177.680 177.965 -0.285 18720 390 1 . 1 1 116 116 ILE CA C 116 61.940 61.940 63.608 -1.668 18720 391 1 . 1 1 116 116 ILE CB C 116 34.720 34.720 36.617 -1.897 18720 392 1 . 1 1 117 117 SER N N 117 115.890 115.890 115.870 0.020 18720 393 1 . 1 1 117 117 SER C C 117 176.720 176.720 176.882 -0.162 18720 394 1 . 1 1 117 117 SER CA C 117 62.630 62.630 61.775 0.855 18720 395 1 . 1 1 117 117 SER CB C 117 62.660 62.660 62.712 -0.052 18720 396 1 . 1 1 118 118 GLY N N 118 130.780 130.780 110.423 20.357 18720 397 1 . 1 1 118 118 GLY C C 118 176.570 176.570 175.811 0.759 18720 398 1 . 1 1 118 118 GLY CA C 118 47.090 47.090 47.012 0.078 18720 399 1 . 1 1 119 119 LEU N N 119 124.450 124.450 122.576 1.874 18720 400 1 . 1 1 119 119 LEU C C 119 179.470 179.470 178.965 0.505 18720 401 1 . 1 1 119 119 LEU CA C 119 57.810 57.810 57.821 -0.011 18720 402 1 . 1 1 119 119 LEU CB C 119 42.310 42.310 41.824 0.486 18720 403 1 . 1 1 120 120 VAL N N 120 119.140 119.140 119.213 -0.073 18720 404 1 . 1 1 120 120 VAL C C 120 177.380 177.380 177.988 -0.608 18720 405 1 . 1 1 120 120 VAL CA C 120 67.430 67.430 66.701 0.729 18720 406 1 . 1 1 120 120 VAL CB C 120 30.870 30.870 31.189 -0.319 18720 407 1 . 1 1 121 121 ASN N N 121 116.650 116.650 118.544 -1.894 18720 408 1 . 1 1 121 121 ASN C C 121 178.330 178.330 177.845 0.485 18720 409 1 . 1 1 121 121 ASN CA C 121 56.670 56.670 56.503 0.167 18720 410 1 . 1 1 121 121 ASN CB C 121 38.560 38.560 37.807 0.753 18720 411 1 . 1 1 122 122 GLY N N 122 129.450 129.450 108.584 20.866 18720 412 1 . 1 1 122 122 GLY C C 122 176.190 176.190 175.899 0.291 18720 413 1 . 1 1 122 122 GLY CA C 122 46.780 46.780 46.878 -0.099 18720 414 1 . 1 1 123 123 LEU N N 123 121.510 121.510 121.909 -0.399 18720 415 1 . 1 1 123 123 LEU C C 123 179.060 179.060 178.887 0.173 18720 416 1 . 1 1 123 123 LEU CA C 123 56.390 56.390 57.262 -0.872 18720 417 1 . 1 1 123 123 LEU CB C 123 41.590 41.590 41.657 -0.067 18720 418 1 . 1 1 124 124 LEU N N 124 119.080 119.080 116.854 2.226 18720 419 1 . 1 1 124 124 LEU C C 124 177.880 177.880 178.575 -0.695 18720 420 1 . 1 1 124 124 LEU CA C 124 56.280 56.280 57.286 -1.006 18720 421 1 . 1 1 124 124 LEU CB C 124 42.300 42.300 41.894 0.406 18720 422 1 . 1 1 125 125 LYS N N 125 118.600 118.600 115.320 3.280 18720 423 1 . 1 1 125 125 LYS C C 125 176.540 176.540 176.944 -0.404 18720 424 1 . 1 1 125 125 LYS CA C 125 56.470 56.470 56.949 -0.479 18720 425 1 . 1 1 125 125 LYS CB C 125 32.730 32.730 32.688 0.042 18720 426 1 . 1 1 126 126 SER N N 126 116.570 116.570 116.330 0.240 18720 427 1 . 1 1 126 126 SER C C 126 173.590 173.590 173.173 0.417 18720 428 1 . 1 1 126 126 SER CA C 126 58.550 58.550 58.070 0.480 18720 429 1 . 1 1 126 126 SER CB C 126 63.880 63.880 64.571 -0.691 18720 stop_ save_