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 bmr17382_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.31 _LACS_plot.Line_1_terminator_val_y_1 -2.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.41 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 6.50 _LACS_plot.Y_axis_chem_shift_offset -0.94 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 VAL -0.18 -1.85 0 123 LEU -7.19 0.41 0 170 GLN -9.31 -0.96 0 44 THR 8.10 7.73 0 12 LEU 2.05 3.13 1 13 SER 0.59 0.45 1 14 LEU 6.83 2.94 1 15 GLN 5.67 2.70 1 16 GLU 0.97 2.75 1 17 VAL 3.63 3.96 1 18 ASP -2.75 0.26 1 19 GLU -2.73 0.31 1 20 GLN -1.99 0.62 1 22 GLN 2.37 3.73 1 23 HIS -3.09 -0.07 1 25 LEU -3.54 -0.69 1 26 HIS 1.04 1.39 1 27 VAL -2.59 0.49 1 28 THR -1.07 0.94 1 29 TYR -2.61 -0.02 1 30 ALA 3.50 3.25 1 32 ALA -4.24 0.22 1 33 ALA -4.41 0.01 1 34 VAL 2.83 1.37 1 35 ASP -0.10 0.35 1 36 GLU -4.41 -0.26 1 37 LEU 2.82 3.07 1 39 LYS -1.42 2.05 1 40 VAL 2.14 2.09 1 41 LEU -5.73 -1.03 1 42 THR -0.24 -0.19 1 45 GLN 3.06 4.04 1 47 LYS 3.76 3.25 1 48 ASN -4.85 -1.01 1 49 ARG 0.78 1.33 1 51 THR 1.58 1.59 1 52 SER -1.26 1.03 1 53 ILE -5.03 -0.74 1 54 SER 0.66 1.95 1 55 TRP -4.16 0.42 1 56 ASP 1.50 1.90 1 58 LEU 2.57 2.74 1 59 ASP -4.08 -0.95 1 60 SER 3.73 3.77 1 62 LYS -3.28 0.12 1 63 LEU -6.23 -1.69 1 64 TYR -5.24 0.56 1 65 THR -2.35 1.75 1 66 LEU -6.89 -0.50 1 67 VAL -5.93 -0.83 1 68 LEU -3.61 -0.22 1 69 THR -3.96 -0.33 1 70 ASP -4.51 -1.38 1 72 ASP 0.42 1.24 1 73 ALA -7.50 -2.04 1 75 SER -4.62 -0.45 1 76 ARG 3.03 3.80 1 77 LYS 1.53 2.31 1 78 ASP -0.62 0.28 1 80 LYS 2.83 3.89 1 81 TYR -2.71 -2.69 1 82 ARG -4.98 -2.83 1 83 GLU 1.21 2.81 1 84 TRP -2.26 1.49 1 85 HIS -0.89 1.80 1 86 HIS 2.11 5.18 1 87 PHE -7.06 -2.38 1 88 LEU -2.81 1.66 1 89 VAL -4.41 -0.38 1 90 VAL -6.45 -2.38 1 91 ASN 4.04 2.43 1 92 MET -0.25 2.18 1 93 LYS 1.01 0.63 1 95 ASN -1.20 -1.38 1 96 ASP -0.08 -0.79 1 97 ILE 5.17 5.84 1 98 SER 2.73 3.44 1 99 SER -0.28 2.29 1 101 THR 0.56 1.72 1 102 VAL 2.82 1.95 1 103 LEU 2.32 2.61 1 104 SER -1.45 -1.41 1 105 ASP 0.55 1.00 1 106 TYR 3.29 4.39 1 107 VAL -3.80 0.30 1 109 SER 1.73 3.76 1 113 LYS 3.90 3.68 1 115 THR -1.14 1.23 1 117 LEU -0.42 1.36 1 118 HIS -2.42 -0.37 1 119 ARG 0.09 1.06 1 120 TYR 0.18 0.59 1 121 VAL -0.38 1.22 1 122 TRP -7.03 -0.91 1 124 VAL -3.71 -1.22 1 125 TYR -4.96 0.22 1 126 GLU -2.27 0.88 1 127 GLN -2.51 -0.27 1 128 ASP -0.20 1.61 1 129 ARG 0.45 0.76 1 131 LEU -3.07 0.01 1 132 LYS -0.24 0.28 1 134 ASP -0.20 -0.07 1 135 GLU 3.84 4.31 1 137 ILE 0.79 -0.97 1 138 LEU -1.13 -0.41 1 139 SER -2.57 -0.21 1 140 ASN -0.87 -1.04 1 141 ARG -0.77 -0.25 1 142 SER -2.91 -0.54 1 144 ASP 1.96 2.47 1 145 HIS 4.23 2.92 1 146 ARG 1.24 1.56 1 148 LYS 5.58 2.39 1 149 PHE -2.00 0.70 1 150 LYS -3.73 -1.39 1 151 VAL 5.50 4.81 1 152 ALA 3.19 3.59 1 153 SER 4.23 3.90 1 154 PHE 4.32 5.27 1 155 ARG 6.54 3.65 1 156 LYS 4.70 5.21 1 157 LYS 4.57 4.10 1 158 TYR 2.37 2.38 1 159 GLU 4.01 1.47 1 160 LEU -0.02 -0.20 1 161 ARG -0.53 0.73 1 162 ALA 2.27 2.10 1 164 VAL 1.09 1.58 1 165 ALA -5.15 -1.34 1 167 THR 1.63 0.55 1 169 TYR -5.23 -1.07 1 171 ALA -3.34 1.13 1 172 GLU -6.69 -2.22 1 173 TRP 3.67 5.51 1 174 ASP -2.32 -0.18 1 175 ASP 2.51 2.57 1 176 TYR 1.18 2.66 1 177 VAL 4.09 2.78 1 179 LYS 4.05 3.61 1 180 LEU 6.17 4.85 1 181 TYR 4.09 4.20 1 182 GLU 3.75 4.38 1 183 GLN 0.89 1.70 1 184 LEU 0.22 1.54 1 185 SER 0.48 2.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17382_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.31 _LACS_plot.Line_1_terminator_val_y_1 7.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.59 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 -1.59 _LACS_plot.Y_axis_chem_shift_offset -0.94 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 VAL -0.18 -1.67 0 123 LEU -7.19 7.60 0 170 GLN -9.31 8.35 0 44 THR 8.10 -0.37 0 12 LEU 2.05 1.08 1 13 SER 0.59 -0.14 1 14 LEU 6.83 -3.89 1 15 GLN 5.67 -2.97 1 16 GLU 0.97 1.78 1 17 VAL 3.63 0.33 1 18 ASP -2.75 3.01 1 19 GLU -2.73 3.04 1 20 GLN -1.99 2.61 1 22 GLN 2.37 1.36 1 23 HIS -3.09 3.02 1 25 LEU -3.54 2.85 1 26 HIS 1.04 0.35 1 27 VAL -2.59 3.08 1 28 THR -1.07 2.01 1 29 TYR -2.61 2.59 1 30 ALA 3.50 -0.25 1 32 ALA -4.24 4.46 1 33 ALA -4.41 4.42 1 34 VAL 2.83 -1.46 1 35 ASP -0.10 0.45 1 36 GLU -4.41 4.15 1 37 LEU 2.82 0.25 1 39 LYS -1.42 3.47 1 40 VAL 2.14 -0.05 1 41 LEU -5.73 4.70 1 42 THR -0.24 0.05 1 45 GLN 3.06 0.98 1 47 LYS 3.76 -0.51 1 48 ASN -4.85 3.84 1 49 ARG 0.78 0.55 1 51 THR 1.58 0.01 1 52 SER -1.26 2.29 1 53 ILE -5.03 4.29 1 54 SER 0.66 1.29 1 55 TRP -4.16 4.58 1 56 ASP 1.50 0.40 1 58 LEU 2.57 0.17 1 59 ASP -4.08 3.13 1 60 SER 3.73 0.04 1 62 LYS -3.28 3.40 1 63 LEU -6.23 4.54 1 64 TYR -5.24 5.80 1 65 THR -2.35 4.10 1 66 LEU -6.89 6.39 1 67 VAL -5.93 5.10 1 68 LEU -3.61 3.39 1 69 THR -3.96 3.63 1 70 ASP -4.51 3.13 1 72 ASP 0.42 0.82 1 73 ALA -7.50 5.46 1 75 SER -4.62 4.17 1 76 ARG 3.03 0.77 1 77 LYS 1.53 0.78 1 78 ASP -0.62 0.90 1 80 LYS 2.83 1.06 1 81 TYR -2.71 0.02 1 82 ARG -4.98 2.15 1 83 GLU 1.21 1.60 1 84 TRP -2.26 3.75 1 85 HIS -0.89 2.69 1 86 HIS 2.11 3.07 1 87 PHE -7.06 4.68 1 88 LEU -2.81 4.47 1 89 VAL -4.41 4.03 1 90 VAL -6.45 4.07 1 91 ASN 4.04 -1.61 1 92 MET -0.25 2.43 1 93 LYS 1.01 -0.38 1 95 ASN -1.20 -0.18 1 96 ASP -0.08 -0.71 1 97 ILE 5.17 0.67 1 98 SER 2.73 0.71 1 99 SER -0.28 2.57 1 101 THR 0.56 1.16 1 102 VAL 2.82 -0.87 1 103 LEU 2.32 0.29 1 104 SER -1.45 0.04 1 105 ASP 0.55 0.45 1 106 TYR 3.29 1.10 1 107 VAL -3.80 4.10 1 109 SER 1.73 2.03 1 113 LYS 3.90 -0.22 1 115 THR -1.14 2.37 1 117 LEU -0.42 1.78 1 118 HIS -2.42 2.05 1 119 ARG 0.09 0.97 1 120 TYR 0.18 0.41 1 121 VAL -0.38 1.60 1 122 TRP -7.03 6.12 1 124 VAL -3.71 2.49 1 125 TYR -4.96 5.18 1 126 GLU -2.27 3.15 1 127 GLN -2.51 2.24 1 128 ASP -0.20 1.81 1 129 ARG 0.45 0.31 1 131 LEU -3.07 3.08 1 132 LYS -0.24 0.52 1 134 ASP -0.20 0.13 1 135 GLU 3.84 0.47 1 137 ILE 0.79 -1.76 1 138 LEU -1.13 0.72 1 139 SER -2.57 2.36 1 140 ASN -0.87 -0.17 1 141 ARG -0.77 0.52 1 142 SER -2.91 2.37 1 144 ASP 1.96 0.51 1 145 HIS 4.23 -1.31 1 146 ARG 1.24 0.32 1 148 LYS 5.58 -3.19 1 149 PHE -2.00 2.70 1 150 LYS -3.73 2.34 1 151 VAL 5.50 -0.69 1 152 ALA 3.19 0.40 1 153 SER 4.23 -0.33 1 154 PHE 4.32 0.95 1 155 ARG 6.54 -2.89 1 156 LYS 4.70 0.51 1 157 LYS 4.57 -0.47 1 158 TYR 2.37 0.01 1 159 GLU 4.01 -2.54 1 160 LEU -0.02 -0.18 1 161 ARG -0.53 1.26 1 162 ALA 2.27 -0.17 1 164 VAL 1.09 0.49 1 165 ALA -5.15 3.81 1 167 THR 1.63 -1.08 1 169 TYR -5.23 4.16 1 171 ALA -3.34 4.47 1 172 GLU -6.69 4.47 1 173 TRP 3.67 1.84 1 174 ASP -2.32 2.14 1 175 ASP 2.51 0.06 1 176 TYR 1.18 1.48 1 177 VAL 4.09 -1.31 1 179 LYS 4.05 -0.44 1 180 LEU 6.17 -1.32 1 181 TYR 4.09 0.11 1 182 GLU 3.75 0.63 1 183 GLN 0.89 0.81 1 184 LEU 0.22 1.32 1 185 SER 0.48 1.69 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17382_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.31 _LACS_plot.Line_1_terminator_val_y_1 1.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 -0.92 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 GLN -1.99 -2.75 0 12 LEU 2.05 -0.46 1 13 SER 0.59 -0.08 1 14 LEU 6.83 -0.85 1 15 GLN 5.67 0.48 1 16 GLU 0.97 -0.26 1 17 VAL 3.63 -0.15 1 18 ASP -2.75 0.13 1 19 GLU -2.73 -0.35 1 22 GLN 2.37 -0.63 1 23 HIS -3.09 0.24 1 25 LEU -3.54 0.25 1 26 HIS 1.04 0.15 1 27 VAL -2.59 0.23 1 28 THR -1.07 0.23 1 29 TYR -2.61 0.00 1 30 ALA 3.50 -0.20 1 32 ALA -4.24 0.33 1 33 ALA -4.41 0.74 1 34 VAL 2.83 0.09 1 35 ASP -0.10 0.10 1 36 GLU -4.41 0.18 1 37 LEU 2.82 -0.04 1 39 LYS -1.42 -0.25 1 40 VAL 2.14 0.67 1 41 LEU -5.73 0.57 1 42 THR -0.24 0.36 1 44 THR 8.10 -1.22 1 45 GLN 3.06 -0.59 1 46 VAL -0.18 -0.08 1 47 LYS 3.76 -0.17 1 48 ASN -4.85 0.32 1 49 ARG 0.78 -2.01 1 51 THR 1.58 -0.40 1 52 SER -1.26 0.06 1 53 ILE -5.03 1.13 1 54 SER 0.66 -0.35 1 55 TRP -4.16 0.24 1 56 ASP 1.50 -0.45 1 58 LEU 2.57 -1.03 1 59 ASP -4.08 0.28 1 60 SER 3.73 -0.39 1 62 LYS -3.28 0.10 1 63 LEU -6.23 1.06 1 64 TYR -5.24 0.90 1 65 THR -2.35 1.03 1 66 LEU -6.89 1.15 1 67 VAL -5.93 1.13 1 68 LEU -3.61 1.01 1 69 THR -3.96 0.88 1 70 ASP -4.51 0.99 1 72 ASP 0.42 -0.14 1 73 ALA -7.50 0.09 1 75 SER -4.62 -0.34 1 76 ARG 3.03 -0.51 1 77 LYS 1.53 -0.29 1 78 ASP -0.62 -0.11 1 80 LYS 2.83 -0.37 1 81 TYR -2.71 0.53 1 82 ARG -4.98 -0.13 1 83 GLU 1.21 0.37 1 84 TRP -2.26 0.47 1 85 HIS -0.89 0.56 1 86 HIS 2.11 -0.90 1 87 PHE -7.06 0.62 1 88 LEU -2.81 0.89 1 89 VAL -4.41 0.70 1 90 VAL -6.45 1.25 1 91 ASN 4.04 -0.74 1 92 MET -0.25 -0.60 1 93 LYS 1.01 0.34 1 95 ASN -1.20 0.00 1 96 ASP -0.08 0.13 1 97 ILE 5.17 -0.44 1 98 SER 2.73 -0.07 1 99 SER -0.28 0.01 1 101 THR 0.56 0.05 1 102 VAL 2.82 -0.20 1 103 LEU 2.32 0.15 1 104 SER -1.45 0.72 1 105 ASP 0.55 0.16 1 106 TYR 3.29 -0.55 1 107 VAL -3.80 -0.20 1 109 SER 1.73 -1.07 1 113 LYS 3.90 -0.80 1 115 THR -1.14 0.20 1 117 LEU -0.42 -0.03 1 118 HIS -2.42 0.14 1 119 ARG 0.09 -0.54 1 120 TYR 0.18 -0.17 1 121 VAL -0.38 0.42 1 122 TRP -7.03 1.22 1 123 LEU -7.19 0.76 1 124 VAL -3.71 1.14 1 125 TYR -4.96 0.25 1 126 GLU -2.27 0.19 1 127 GLN -2.51 0.25 1 128 ASP -0.20 0.11 1 129 ARG 0.45 0.19 1 131 LEU -3.07 0.14 1 132 LYS -0.24 0.17 1 134 ASP -0.20 0.00 1 135 GLU 3.84 -0.50 1 137 ILE 0.79 0.66 1 138 LEU -1.13 0.50 1 139 SER -2.57 0.31 1 140 ASN -0.87 -0.26 1 141 ARG -0.77 0.37 1 142 SER -2.91 0.46 1 144 ASP 1.96 -0.44 1 145 HIS 4.23 -0.45 1 146 ARG 1.24 -0.65 1 148 LYS 5.58 -0.28 1 149 PHE -2.00 -0.26 1 150 LYS -3.73 0.34 1 151 VAL 5.50 -0.29 1 152 ALA 3.19 -0.12 1 153 SER 4.23 -0.28 1 154 PHE 4.32 -0.68 1 155 ARG 6.54 -0.67 1 156 LYS 4.70 -0.27 1 157 LYS 4.57 -0.61 1 158 TYR 2.37 -0.24 1 159 GLU 4.01 -0.57 1 160 LEU -0.02 0.30 1 161 ARG -0.53 -0.18 1 162 ALA 2.27 -0.48 1 164 VAL 1.09 0.10 1 165 ALA -5.15 1.44 1 167 THR 1.63 0.44 1 169 TYR -5.23 1.11 1 170 GLN -9.31 1.63 1 171 ALA -3.34 0.90 1 172 GLU -6.69 0.63 1 173 TRP 3.67 -0.93 1 174 ASP -2.32 -0.64 1 175 ASP 2.51 -1.14 1 176 TYR 1.18 -0.28 1 177 VAL 4.09 -0.34 1 179 LYS 4.05 -0.46 1 180 LEU 6.17 -0.52 1 181 TYR 4.09 -0.28 1 182 GLU 3.75 -0.19 1 183 GLN 0.89 -0.41 1 184 LEU 0.22 0.10 1 185 SER 0.48 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17382_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.31 _LACS_plot.Line_1_terminator_val_y_1 -1.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.01 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 2.57 _LACS_plot.Y_axis_chem_shift_offset -0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 ASP 0.42 4.88 0 170 GLN -9.31 -0.32 0 185 SER 0.48 5.37 0 12 LEU 2.05 -0.49 1 13 SER 0.59 2.23 1 14 LEU 6.83 2.11 1 15 GLN 5.67 2.58 1 16 GLU 0.97 1.00 1 17 VAL 3.63 -0.12 1 18 ASP -2.75 -1.38 1 19 GLU -2.73 -3.05 1 20 GLN -1.99 0.80 1 22 GLN 2.37 1.18 1 23 HIS -3.09 0.99 1 25 LEU -3.54 -1.79 1 26 HIS 1.04 1.35 1 27 VAL -2.59 -1.22 1 28 THR -1.07 -1.32 1 29 TYR -2.61 0.13 1 30 ALA 3.50 1.25 1 32 ALA -4.24 -2.07 1 33 ALA -4.41 -0.26 1 34 VAL 2.83 0.21 1 35 ASP -0.10 -1.01 1 36 GLU -4.41 -0.45 1 37 LEU 2.82 1.34 1 39 LYS -1.42 -0.54 1 40 VAL 2.14 0.94 1 41 LEU -5.73 -0.15 1 42 THR -0.24 2.45 1 44 THR 8.10 2.77 1 45 GLN 3.06 3.44 1 46 VAL -0.18 -0.18 1 47 LYS 3.76 0.32 1 48 ASN -4.85 -1.75 1 49 ARG 0.78 0.67 1 51 THR 1.58 2.71 1 52 SER -1.26 -1.13 1 53 ILE -5.03 -0.76 1 54 SER 0.66 -1.97 1 55 TRP -4.16 -1.08 1 56 ASP 1.50 -0.14 1 58 LEU 2.57 -2.03 1 59 ASP -4.08 1.40 1 60 SER 3.73 0.80 1 62 LYS -3.28 -1.48 1 63 LEU -6.23 -0.67 1 64 TYR -5.24 -0.03 1 65 THR -2.35 -1.05 1 66 LEU -6.89 -2.12 1 67 VAL -5.93 -1.31 1 68 LEU -3.61 0.08 1 69 THR -3.96 -4.06 1 75 SER -4.62 -0.30 1 76 ARG 3.03 2.30 1 77 LYS 1.53 1.04 1 78 ASP -0.62 2.58 1 80 LYS 2.83 1.99 1 81 TYR -2.71 0.03 1 82 ARG -4.98 2.46 1 83 GLU 1.21 -0.82 1 84 TRP -2.26 1.96 1 85 HIS -0.89 -0.96 1 86 HIS 2.11 1.76 1 87 PHE -7.06 -1.70 1 88 LEU -2.81 -3.01 1 89 VAL -4.41 -0.98 1 90 VAL -6.45 0.22 1 91 ASN 4.04 -0.67 1 92 MET -0.25 -0.17 1 93 LYS 1.01 2.16 1 95 ASN -1.20 1.42 1 96 ASP -0.08 1.83 1 97 ILE 5.17 2.11 1 98 SER 2.73 1.09 1 99 SER -0.28 1.96 1 101 THR 0.56 -0.35 1 102 VAL 2.82 0.41 1 103 LEU 2.32 -0.15 1 104 SER -1.45 0.18 1 105 ASP 0.55 1.13 1 106 TYR 3.29 -0.53 1 107 VAL -3.80 0.62 1 109 SER 1.73 -1.45 1 113 LYS 3.90 1.94 1 115 THR -1.14 0.94 1 117 LEU -0.42 3.14 1 118 HIS -2.42 0.79 1 119 ARG 0.09 -3.52 1 120 TYR 0.18 -0.27 1 121 VAL -0.38 0.05 1 122 TRP -7.03 1.51 1 123 LEU -7.19 -2.29 1 124 VAL -3.71 -0.16 1 125 TYR -4.96 0.69 1 126 GLU -2.27 -0.55 1 127 GLN -2.51 1.49 1 128 ASP -0.20 -0.16 1 129 ARG 0.45 -0.61 1 131 LEU -3.07 0.84 1 132 LYS -0.24 -0.14 1 134 ASP -0.20 0.30 1 135 GLU 3.84 -0.99 1 137 ILE 0.79 2.28 1 138 LEU -1.13 1.19 1 139 SER -2.57 0.82 1 140 ASN -0.87 0.22 1 141 ARG -0.77 -0.99 1 142 SER -2.91 1.65 1 144 ASP 1.96 1.22 1 145 HIS 4.23 1.49 1 146 ARG 1.24 3.63 1 148 LYS 5.58 0.27 1 149 PHE -2.00 -0.39 1 150 LYS -3.73 0.93 1 151 VAL 5.50 0.30 1 152 ALA 3.19 3.43 1 153 SER 4.23 2.95 1 154 PHE 4.32 1.33 1 155 ARG 6.54 3.10 1 156 LYS 4.70 4.71 1 157 LYS 4.57 1.91 1 158 TYR 2.37 -1.96 1 159 GLU 4.01 -0.41 1 160 LEU -0.02 1.76 1 161 ARG -0.53 -2.12 1 162 ALA 2.27 0.25 1 164 VAL 1.09 -0.27 1 165 ALA -5.15 -1.16 1 167 THR 1.63 -2.06 1 169 TYR -5.23 -2.40 1 171 ALA -3.34 -1.36 1 172 GLU -6.69 -1.47 1 173 TRP 3.67 1.46 1 174 ASP -2.32 -1.00 1 175 ASP 2.51 1.85 1 176 TYR 1.18 1.84 1 177 VAL 4.09 4.01 1 179 LYS 4.05 2.52 1 180 LEU 6.17 4.73 1 181 TYR 4.09 3.71 1 182 GLU 3.75 3.72 1 183 GLN 0.89 -0.11 1 184 LEU 0.22 1.56 1 stop_ save_