data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4985_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.40 _LACS_plot.Line_1_terminator_val_y_1 -3.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 5.66 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 THR 6.60 -1.80 0 12 ILE -2.40 -0.20 1 13 THR -0.50 -0.30 1 14 ILE -3.70 -2.00 1 15 ILE -2.80 -1.90 1 16 SER -3.10 -2.30 1 17 ALA -5.00 -3.10 1 18 SER -6.10 -2.10 1 19 GLN -0.60 1.40 1 20 THR -0.30 -1.90 1 22 ASN 6.10 4.10 1 23 ALA 2.80 1.90 1 24 ARG 4.40 1.80 1 25 ARG 4.50 3.70 1 26 VAL 6.20 4.70 1 27 ALA 3.50 3.30 1 28 GLU 3.10 3.10 1 29 ALA 4.40 2.40 1 30 LEU 4.20 2.50 1 31 ARG 6.90 4.20 1 32 ASP 5.40 3.50 1 33 ASP 3.40 3.30 1 34 LEU 4.20 2.80 1 35 LEU 3.30 2.70 1 36 ALA 3.70 2.20 1 37 ALA -0.20 -1.10 1 38 LYS 5.50 0.70 1 39 LEU -1.80 -1.60 1 40 ASN 0.30 0.00 1 41 VAL -5.60 -3.60 1 42 LYS -4.00 -1.30 1 43 LEU -3.30 -1.40 1 44 VAL -5.40 -2.50 1 45 ASN 1.20 0.10 1 46 ALA 3.70 2.90 1 48 ASP -2.60 -0.70 1 49 TYR 0.20 0.80 1 50 LYS 2.60 -1.60 1 51 PHE 1.40 0.30 1 52 LYS 4.50 2.80 1 53 GLN 0.60 -0.20 1 54 ILE 3.30 3.50 1 55 ALA 1.50 0.70 1 56 SER 0.60 0.80 1 57 GLU 0.40 -0.70 1 58 LYS -0.30 0.90 1 59 LEU -3.90 -0.70 1 60 LEU -6.90 -2.20 1 61 ILE -3.60 -3.70 1 62 VAL -2.40 -1.00 1 63 VAL -1.10 -1.30 1 64 THR -5.20 -4.20 1 65 SER -3.30 -1.50 1 66 THR -0.60 0.90 1 67 GLN -2.40 -3.00 1 69 GLU 3.10 0.20 1 71 GLU 0.60 -0.20 1 74 GLU 3.30 3.50 1 75 GLU 2.20 1.20 1 76 ALA -4.90 -2.40 1 77 VAL 6.70 5.50 1 78 ALA 4.70 3.30 1 79 LEU 3.30 2.70 1 80 HIS 3.60 6.80 1 81 LYS 4.10 3.50 1 82 PHE 3.00 2.80 1 83 LEU 3.10 2.20 1 84 PHE 2.50 1.00 1 85 SER -2.40 -0.40 1 86 LYS 2.60 1.40 1 87 LYS -0.40 -1.00 1 88 ALA 0.00 -0.20 1 90 LYS -0.10 -0.40 1 91 LEU -0.00 -1.70 1 92 GLU -0.20 1.00 1 93 ASN -0.80 -0.10 1 94 THR -1.30 0.90 1 95 ALA -4.30 -2.80 1 96 PHE -8.40 -2.20 1 97 ALA -4.60 -0.60 1 98 VAL -3.70 -0.80 1 99 PHE -1.90 -0.80 1 100 SER -4.50 -3.70 1 101 LEU -2.10 0.10 1 103 ASP -4.10 -1.10 1 105 SER 2.90 2.10 1 106 TYR 0.30 0.00 1 107 GLU 2.10 2.10 1 108 PHE 1.00 -2.20 1 109 PHE -0.70 -1.30 1 111 GLN 2.60 3.10 1 112 SER 4.20 3.40 1 114 LYS 5.60 4.70 1 115 ASP 3.70 3.00 1 116 PHE 5.70 5.30 1 117 ASP -1.00 3.30 1 118 SER 3.30 2.60 1 119 LYS 3.60 0.50 1 120 LEU 7.70 3.40 1 121 ALA 1.90 1.60 1 122 GLU 2.60 2.90 1 123 LEU 1.60 0.40 1 126 GLU -3.50 -2.20 1 127 ARG 1.50 0.70 1 128 LEU -0.50 1.70 1 129 LEU -6.30 -1.70 1 130 ASP 1.10 0.70 1 131 ARG 0.60 1.30 1 132 VAL -2.00 -0.50 1 133 ASP -1.90 -1.50 1 134 ALA -4.90 -1.90 1 135 ASP -5.30 -3.00 1 136 VAL 4.90 4.50 1 137 GLU 0.80 -1.60 1 138 TYR -1.70 -0.70 1 139 GLN 7.10 5.20 1 140 ALA 4.30 2.80 1 141 ALA 3.40 2.50 1 142 ALA 2.70 2.70 1 143 SER 5.00 3.70 1 144 GLU 2.80 2.80 1 145 TRP 5.50 4.50 1 146 ARG 5.40 4.40 1 147 ALA 3.80 2.40 1 148 ARG 3.20 3.20 1 149 VAL 6.50 4.20 1 150 VAL 7.10 5.40 1 151 ASP 3.30 3.30 1 152 ALA 3.20 1.90 1 153 LEU 3.30 2.20 1 154 LYS 4.40 3.60 1 155 SER 1.90 1.60 1 156 ARG -0.50 -0.50 1 157 ALA -0.20 -0.40 1 159 VAL -0.30 -0.20 1 160 ALA -0.80 -0.40 1 161 ALA 0.10 -0.40 1 163 SER 0.10 0.10 1 164 GLN -0.60 0.10 1 165 SER -0.10 0.00 1 166 VAL 0.00 0.00 1 167 ALA 0.20 1.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4985_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.40 _LACS_plot.Line_1_terminator_val_y_1 4.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 -2.03 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 THR 6.60 -8.40 0 12 ILE -2.40 2.20 1 13 THR -0.50 0.20 1 14 ILE -3.70 1.70 1 15 ILE -2.80 0.90 1 16 SER -3.10 0.80 1 17 ALA -5.00 1.90 1 18 SER -6.10 4.00 1 19 GLN -0.60 2.00 1 20 THR -0.30 -1.60 1 22 ASN 6.10 -2.00 1 23 ALA 2.80 -0.90 1 24 ARG 4.40 -2.60 1 25 ARG 4.50 -0.80 1 26 VAL 6.20 -1.50 1 27 ALA 3.50 -0.20 1 28 GLU 3.10 0.00 1 29 ALA 4.40 -2.00 1 30 LEU 4.20 -1.70 1 31 ARG 6.90 -2.70 1 32 ASP 5.40 -1.90 1 33 ASP 3.40 -0.10 1 34 LEU 4.20 -1.40 1 35 LEU 3.30 -0.60 1 36 ALA 3.70 -1.50 1 37 ALA -0.20 -0.90 1 38 LYS 5.50 -4.80 1 39 LEU -1.80 0.20 1 40 ASN 0.30 -0.30 1 41 VAL -5.60 2.00 1 42 LYS -4.00 2.70 1 43 LEU -3.30 1.90 1 44 VAL -5.40 2.90 1 45 ASN 1.20 -1.10 1 46 ALA 3.70 -0.80 1 48 ASP -2.60 1.90 1 49 TYR 0.20 0.60 1 50 LYS 2.60 -4.20 1 51 PHE 1.40 -1.10 1 52 LYS 4.50 -1.70 1 53 GLN 0.60 -0.80 1 54 ILE 3.30 0.20 1 55 ALA 1.50 -0.80 1 56 SER 0.60 0.20 1 57 GLU 0.40 -1.10 1 58 LYS -0.30 1.20 1 59 LEU -3.90 3.20 1 60 LEU -6.90 4.70 1 61 ILE -3.60 -0.10 1 62 VAL -2.40 1.40 1 63 VAL -1.10 -0.20 1 64 THR -5.20 1.00 1 65 SER -3.30 1.80 1 66 THR -0.60 1.50 1 67 GLN -2.40 -0.60 1 69 GLU 3.10 -2.90 1 71 GLU 0.60 -0.80 1 74 GLU 3.30 0.20 1 75 GLU 2.20 -1.00 1 76 ALA -4.90 2.50 1 77 VAL 6.70 -1.20 1 78 ALA 4.70 -1.40 1 79 LEU 3.30 -0.60 1 80 HIS 3.60 3.20 1 81 LYS 4.10 -0.60 1 82 PHE 3.00 -0.20 1 83 LEU 3.10 -0.90 1 84 PHE 2.50 -1.50 1 85 SER -2.40 2.00 1 86 LYS 2.60 -1.20 1 87 LYS -0.40 -0.60 1 88 ALA 0.00 -0.20 1 90 LYS -0.10 -0.30 1 91 LEU -0.00 -1.70 1 92 GLU -0.20 1.20 1 93 ASN -0.80 0.70 1 94 THR -1.30 2.20 1 95 ALA -4.30 1.50 1 96 PHE -8.40 6.20 1 97 ALA -4.60 4.00 1 98 VAL -3.70 2.90 1 99 PHE -1.90 1.10 1 100 SER -4.50 0.80 1 101 LEU -2.10 2.20 1 103 ASP -4.10 3.00 1 105 SER 2.90 -0.80 1 106 TYR 0.30 -0.30 1 107 GLU 2.10 0.00 1 108 PHE 1.00 -3.20 1 109 PHE -0.70 -0.60 1 111 GLN 2.60 0.50 1 112 SER 4.20 -0.80 1 114 LYS 5.60 -0.90 1 115 ASP 3.70 -0.70 1 116 PHE 5.70 -0.40 1 117 ASP -1.00 4.30 1 118 SER 3.30 -0.70 1 119 LYS 3.60 -3.10 1 120 LEU 7.70 -4.30 1 121 ALA 1.90 -0.30 1 122 GLU 2.60 0.30 1 123 LEU 1.60 -1.20 1 126 GLU -3.50 1.30 1 127 ARG 1.50 -0.80 1 128 LEU -0.50 2.20 1 129 LEU -6.30 4.60 1 130 ASP 1.10 -0.40 1 131 ARG 0.60 0.70 1 132 VAL -2.00 1.50 1 133 ASP -1.90 0.40 1 134 ALA -4.90 3.00 1 135 ASP -5.30 2.30 1 136 VAL 4.90 -0.40 1 137 GLU 0.80 -2.40 1 138 TYR -1.70 1.00 1 139 GLN 7.10 -1.90 1 140 ALA 4.30 -1.50 1 141 ALA 3.40 -0.90 1 142 ALA 2.70 0.00 1 143 SER 5.00 -1.30 1 144 GLU 2.80 0.00 1 145 TRP 5.50 -1.00 1 146 ARG 5.40 -1.00 1 147 ALA 3.80 -1.40 1 148 ARG 3.20 0.00 1 149 VAL 6.50 -2.30 1 150 VAL 7.10 -1.70 1 151 ASP 3.30 0.00 1 152 ALA 3.20 -1.30 1 153 LEU 3.30 -1.10 1 154 LYS 4.40 -0.80 1 155 SER 1.90 -0.30 1 156 ARG -0.50 0.00 1 157 ALA -0.20 -0.20 1 159 VAL -0.30 0.10 1 160 ALA -0.80 0.40 1 161 ALA 0.10 -0.50 1 163 SER 0.10 0.00 1 164 GLN -0.60 0.70 1 165 SER -0.10 0.10 1 166 VAL 0.00 0.00 1 167 ALA 0.20 0.80 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4985_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.40 _LACS_plot.Line_1_terminator_val_y_1 0.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 -0.80 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 GLN -2.40 -1.52 0 12 ILE -2.40 0.38 1 13 THR -0.50 0.60 1 14 ILE -3.70 0.78 1 15 ILE -2.80 0.74 1 16 SER -3.10 0.50 1 17 ALA -5.00 0.62 1 18 SER -6.10 0.46 1 19 GLN -0.60 0.21 1 20 THR -0.30 0.27 1 22 ASN 6.10 -0.46 1 23 ALA 2.80 -0.78 1 24 ARG 4.40 -0.05 1 25 ARG 4.50 -0.26 1 26 VAL 6.20 -0.50 1 27 ALA 3.50 -0.21 1 28 GLU 3.10 -0.77 1 29 ALA 4.40 -0.16 1 30 LEU 4.20 -0.22 1 31 ARG 6.90 -0.74 1 32 ASP 5.40 -0.30 1 33 ASP 3.40 -0.18 1 34 LEU 4.20 -0.35 1 35 LEU 3.30 -0.09 1 36 ALA 3.70 -0.16 1 37 ALA -0.20 -0.04 1 38 LYS 5.50 -0.47 1 39 LEU -1.80 0.21 1 40 ASN 0.30 -0.02 1 41 VAL -5.60 1.15 1 42 LYS -4.00 0.29 1 43 LEU -3.30 0.90 1 44 VAL -5.40 0.35 1 45 ASN 1.20 0.40 1 46 ALA 3.70 -0.47 1 48 ASP -2.60 0.24 1 49 TYR 0.20 -0.32 1 50 LYS 2.60 -0.36 1 51 PHE 1.40 -0.63 1 52 LYS 4.50 -0.42 1 53 GLN 0.60 0.18 1 54 ILE 3.30 0.29 1 55 ALA 1.50 -0.10 1 56 SER 0.60 -0.04 1 57 GLU 0.40 0.04 1 58 LYS -0.30 0.75 1 59 LEU -3.90 0.82 1 60 LEU -6.90 0.91 1 61 ILE -3.60 1.09 1 62 VAL -2.40 0.52 1 63 VAL -1.10 0.93 1 64 THR -5.20 -0.36 1 65 SER -3.30 1.11 1 66 THR -0.60 -0.04 1 69 GLU 3.10 -0.27 1 71 GLU 0.60 -0.65 1 74 GLU 3.30 -0.47 1 75 GLU 2.20 0.08 1 76 ALA -4.90 0.39 1 77 VAL 6.70 -0.72 1 78 ALA 4.70 -0.27 1 79 LEU 3.30 -0.88 1 80 HIS 3.60 -0.94 1 81 LYS 4.10 -0.36 1 82 PHE 3.00 -0.45 1 83 LEU 3.10 -0.72 1 84 PHE 2.50 -0.72 1 85 SER -2.40 0.19 1 86 LYS 2.60 -0.14 1 87 LYS -0.40 -0.06 1 88 ALA 0.00 -1.15 1 90 LYS -0.10 0.14 1 91 LEU -0.00 0.50 1 92 GLU -0.20 -0.06 1 93 ASN -0.80 0.22 1 94 THR -1.30 0.32 1 95 ALA -4.30 1.54 1 96 PHE -8.40 2.04 1 97 ALA -4.60 0.63 1 98 VAL -3.70 1.28 1 99 PHE -1.90 -0.42 1 100 SER -4.50 0.68 1 101 LEU -2.10 0.33 1 103 ASP -4.10 1.00 1 104 THR 6.60 -0.77 1 105 SER 2.90 -0.33 1 106 TYR 0.30 -0.37 1 107 GLU 2.10 -0.53 1 108 PHE 1.00 0.31 1 109 PHE -0.70 0.58 1 111 GLN 2.60 -0.84 1 112 SER 4.20 -0.30 1 114 LYS 5.60 -0.67 1 115 ASP 3.70 -0.21 1 116 PHE 5.70 -0.62 1 117 ASP -1.00 -0.12 1 118 SER 3.30 -0.33 1 119 LYS 3.60 -0.39 1 120 LEU 7.70 -0.79 1 121 ALA 1.90 0.29 1 122 GLU 2.60 -0.41 1 123 LEU 1.60 -0.17 1 126 GLU -3.50 0.17 1 127 ARG 1.50 -1.37 1 128 LEU -0.50 -0.35 1 129 LEU -6.30 0.13 1 130 ASP 1.10 -0.26 1 131 ARG 0.60 0.01 1 132 VAL -2.00 -0.01 1 133 ASP -1.90 0.10 1 134 ALA -4.90 0.23 1 135 ASP -5.30 0.35 1 136 VAL 4.90 0.02 1 137 GLU 0.80 0.35 1 138 TYR -1.70 0.20 1 139 GLN 7.10 -0.55 1 140 ALA 4.30 -0.06 1 141 ALA 3.40 0.02 1 142 ALA 2.70 -0.21 1 143 SER 5.00 -0.39 1 144 GLU 2.80 -0.23 1 145 TRP 5.50 -0.49 1 146 ARG 5.40 -1.24 1 147 ALA 3.80 -0.43 1 148 ARG 3.20 -0.31 1 149 VAL 6.50 -0.92 1 150 VAL 7.10 -0.94 1 151 ASP 3.30 -0.37 1 152 ALA 3.20 -0.25 1 153 LEU 3.30 -0.38 1 154 LYS 4.40 -0.36 1 155 SER 1.90 -0.10 1 156 ARG -0.50 0.00 1 157 ALA -0.20 -0.06 1 159 VAL -0.30 -0.04 1 160 ALA -0.80 -0.02 1 161 ALA 0.10 -0.07 1 163 SER 0.10 -0.26 1 164 GLN -0.60 0.06 1 165 SER -0.10 -0.01 1 166 VAL 0.00 0.05 1 167 ALA 0.20 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4985_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.40 _LACS_plot.Line_1_terminator_val_y_1 -4.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 3.03 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 167 ALA 0.20 4.50 0 12 ILE -2.40 -1.10 1 13 THR -0.50 -1.90 1 14 ILE -3.70 -2.10 1 15 ILE -2.80 -1.60 1 16 SER -3.10 -1.80 1 17 ALA -5.00 -3.60 1 18 SER -6.10 -0.70 1 19 GLN -0.60 1.80 1 20 THR -0.30 0.40 1 22 ASN 6.10 2.90 1 23 ALA 2.80 1.50 1 24 ARG 4.40 1.60 1 25 ARG 4.50 4.60 1 26 VAL 6.20 1.00 1 27 ALA 3.50 1.50 1 28 GLU 3.10 1.20 1 29 ALA 4.40 2.10 1 30 LEU 4.20 0.20 1 31 ARG 6.90 1.30 1 32 ASP 5.40 3.10 1 33 ASP 3.40 3.20 1 34 LEU 4.20 1.50 1 35 LEU 3.30 5.10 1 36 ALA 3.70 0.90 1 37 ALA -0.20 -2.70 1 38 LYS 5.50 -1.10 1 39 LEU -1.80 -1.70 1 40 ASN 0.30 -1.20 1 41 VAL -5.60 -3.70 1 42 LYS -4.00 -3.80 1 43 LEU -3.30 -2.70 1 44 VAL -5.40 -2.00 1 45 ASN 1.20 2.80 1 46 ALA 3.70 1.40 1 48 ASP -2.60 -0.40 1 49 TYR 0.20 -0.20 1 50 LYS 2.60 -1.10 1 51 PHE 1.40 0.20 1 52 LYS 4.50 1.70 1 53 GLN 0.60 1.60 1 54 ILE 3.30 -1.70 1 55 ALA 1.50 1.10 1 56 SER 0.60 0.10 1 57 GLU 0.40 -0.40 1 58 LYS -0.30 1.60 1 59 LEU -3.90 -4.50 1 60 LEU -6.90 -4.00 1 61 ILE -3.60 -1.70 1 62 VAL -2.40 -2.70 1 63 VAL -1.10 -2.10 1 64 THR -5.20 -1.90 1 65 SER -3.30 -0.40 1 66 THR -0.60 -2.00 1 67 GLN -2.40 -3.50 1 69 GLU 3.10 -0.70 1 71 GLU 0.60 -2.50 1 74 GLU 3.30 2.80 1 75 GLU 2.20 -1.30 1 76 ALA -4.90 -1.70 1 77 VAL 6.70 1.10 1 78 ALA 4.70 2.40 1 79 LEU 3.30 -0.60 1 80 HIS 3.60 2.40 1 81 LYS 4.10 3.20 1 82 PHE 3.00 3.50 1 83 LEU 3.10 -1.30 1 84 PHE 2.50 -0.90 1 85 SER -2.40 0.80 1 86 LYS 2.60 0.40 1 87 LYS -0.40 -1.50 1 88 ALA 0.00 -0.80 1 90 LYS -0.10 1.00 1 91 LEU -0.00 -1.00 1 92 GLU -0.20 0.40 1 93 ASN -0.80 -1.40 1 94 THR -1.30 -2.10 1 95 ALA -4.30 -1.60 1 96 PHE -8.40 -2.80 1 97 ALA -4.60 -2.00 1 98 VAL -3.70 -1.80 1 99 PHE -1.90 -2.90 1 100 SER -4.50 -3.10 1 101 LEU -2.10 0.20 1 103 ASP -4.10 0.60 1 104 THR 6.60 0.50 1 105 SER 2.90 0.10 1 106 TYR 0.30 -0.60 1 107 GLU 2.10 0.90 1 108 PHE 1.00 2.30 1 109 PHE -0.70 0.80 1 111 GLN 2.60 0.40 1 112 SER 4.20 2.40 1 114 LYS 5.60 2.50 1 115 ASP 3.70 1.90 1 116 PHE 5.70 1.00 1 117 ASP -1.00 0.80 1 118 SER 3.30 3.30 1 119 LYS 3.60 1.20 1 120 LEU 7.70 1.10 1 121 ALA 1.90 3.90 1 122 GLU 2.60 2.50 1 123 LEU 1.60 -0.90 1 126 GLU -3.50 -2.30 1 127 ARG 1.50 1.20 1 128 LEU -0.50 -1.40 1 129 LEU -6.30 -2.80 1 130 ASP 1.10 0.50 1 131 ARG 0.60 -0.50 1 132 VAL -2.00 -3.50 1 133 ASP -1.90 -2.50 1 134 ALA -4.90 -3.50 1 135 ASP -5.30 0.30 1 136 VAL 4.90 2.10 1 137 GLU 0.80 -0.30 1 138 TYR -1.70 0.60 1 139 GLN 7.10 2.90 1 140 ALA 4.30 2.60 1 141 ALA 3.40 3.70 1 142 ALA 2.70 1.50 1 143 SER 5.00 2.80 1 144 GLU 2.80 1.80 1 145 TRP 5.50 1.00 1 146 ARG 5.40 1.20 1 147 ALA 3.80 2.90 1 148 ARG 3.20 3.40 1 149 VAL 6.50 1.00 1 150 VAL 7.10 1.40 1 151 ASP 3.30 2.50 1 152 ALA 3.20 2.80 1 153 LEU 3.30 1.70 1 154 LYS 4.40 2.20 1 155 SER 1.90 -0.10 1 156 ARG -0.50 -0.90 1 157 ALA -0.20 -1.20 1 159 VAL -0.30 -0.40 1 160 ALA -0.80 -1.00 1 161 ALA 0.10 -0.20 1 163 SER 0.10 0.00 1 164 GLN -0.60 -1.40 1 165 SER -0.10 -0.30 1 166 VAL 0.00 -1.40 1 stop_ save_