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 bmr19082_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 -2.96 _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 -2.00 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 5.77 _LACS_plot.Y_axis_chem_shift_offset 0.69 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 HIS -4.02 0.82 0 134 ASN 3.29 -1.83 0 10 LYS 4.30 3.14 1 11 VAL 7.30 4.33 1 12 LEU 4.31 2.57 1 13 ASP 2.59 2.43 1 14 GLU -2.21 -1.51 1 16 THR -1.77 -1.48 1 17 GLN 2.35 0.41 1 18 LYS -3.45 -1.15 1 19 ASN -0.26 -0.54 1 20 ASP -6.29 -1.41 1 21 ARG 2.59 2.56 1 22 THR 0.68 1.45 1 24 THR 4.93 3.75 1 26 THR -5.91 -3.29 1 27 LEU -2.55 -1.08 1 28 SER -2.38 -1.44 1 29 ILE -3.18 -1.86 1 30 PHE -2.49 -2.83 1 33 GLN -4.78 -1.57 1 34 MET -4.65 -1.40 1 35 ARG -3.90 -1.37 1 36 PHE -1.27 -1.63 1 37 ASN 1.67 -0.53 1 39 GLN 4.43 1.78 1 40 ASP 2.26 1.08 1 42 PHE -1.93 -2.50 1 44 LEU -5.31 -4.06 1 46 THR -1.05 0.91 1 47 THR 4.15 2.23 1 48 LYS -1.38 -0.57 1 49 ARG 3.96 1.56 1 51 HIS 0.44 0.67 1 54 SER 4.73 3.61 1 55 ILE 4.42 3.49 1 56 ILE 6.71 4.62 1 58 GLU 4.56 3.24 1 59 LEU 4.92 2.37 1 60 LEU 6.15 2.67 1 61 TRP 4.43 2.66 1 63 LEU 2.84 2.42 1 64 GLN 0.82 0.13 1 66 ASP -2.49 -1.02 1 67 THR 0.25 -0.88 1 68 ASN -4.37 -1.24 1 69 ILE 4.51 2.27 1 70 ALA 6.56 4.08 1 71 TYR 2.85 3.08 1 72 LEU 6.37 1.96 1 73 HIS 3.47 2.82 1 75 ASN 0.14 -0.61 1 76 ASN 3.71 1.08 1 77 VAL 1.19 -0.45 1 78 THR 1.10 -0.47 1 79 ILE 6.62 3.00 1 81 ASP 5.67 3.74 1 82 GLU 6.30 2.36 1 83 TRP 3.19 2.53 1 84 ALA -2.04 -1.33 1 85 ASP -0.78 -1.85 1 86 GLU 3.72 1.86 1 87 ASN -0.70 -0.50 1 89 ASP 0.36 1.65 1 90 LEU -2.50 -0.87 1 93 VAL -0.21 -2.37 1 96 LYS 3.27 1.39 1 97 GLN 3.37 0.55 1 98 TRP 2.63 2.27 1 99 ARG -0.35 -2.56 1 100 ALA 0.70 -1.29 1 101 TRP 2.48 0.18 1 105 ASP 0.23 -1.70 1 107 ARG -1.36 -1.57 1 108 HIS -2.41 0.66 1 109 ILE -0.98 -0.86 1 110 ASP -0.73 -2.63 1 111 GLN 1.39 3.51 1 112 ILE 5.02 0.04 1 115 VAL 5.53 2.87 1 116 LEU 4.50 2.90 1 117 ASN 4.19 2.95 1 118 GLN 3.27 3.50 1 119 LEU 3.31 2.56 1 120 LYS 2.29 2.05 1 121 ASN -0.50 0.95 1 122 ASP 0.30 -0.04 1 124 ASP 1.16 0.50 1 125 SER 2.27 0.73 1 127 ARG -0.49 -1.76 1 128 ILE 5.45 0.43 1 129 ILE -7.22 -2.76 1 130 VAL -0.76 -2.25 1 131 SER -6.11 -4.10 1 132 ALA -1.38 -1.78 1 133 TRP 0.93 -1.38 1 135 VAL 4.95 2.44 1 137 GLU -2.10 -1.30 1 138 LEU 3.45 2.53 1 139 ASP 3.32 1.13 1 140 LYS -0.68 -1.17 1 141 MET 1.15 0.66 1 142 ALA 2.12 2.47 1 143 LEU -5.62 -1.62 1 144 ALA 2.15 -0.50 1 147 HIS -4.56 -2.27 1 148 ALA -0.73 1.87 1 149 PHE -3.00 -0.66 1 150 PHE -3.82 -2.81 1 151 GLN -6.32 -3.48 1 152 PHE -3.00 -0.85 1 153 TYR -3.18 -1.79 1 154 VAL -2.25 -2.39 1 155 ALA -3.29 -0.95 1 158 LYS -3.20 -2.24 1 159 LEU -2.68 -1.68 1 160 SER -3.56 -1.16 1 162 GLN -5.65 -3.35 1 164 TYR 0.08 -0.34 1 165 GLN 1.01 -2.07 1 166 ARG 3.35 1.07 1 167 SER -3.70 -2.63 1 169 ASP -0.81 -1.74 1 170 VAL 5.54 3.60 1 171 PHE 4.45 5.08 1 172 LEU -0.86 -0.34 1 174 LEU 8.91 5.24 1 176 PHE 3.30 2.29 1 177 ASN 3.39 4.90 1 178 ILE 5.12 3.76 1 179 ALA 1.90 1.60 1 180 SER 3.26 3.05 1 181 TYR 5.24 4.71 1 182 ALA 3.54 2.74 1 183 LEU 5.05 3.19 1 184 LEU 4.82 2.47 1 188 MET 4.41 2.29 1 189 ALA 5.41 3.08 1 191 GLN 2.63 1.47 1 193 ASP 4.02 1.46 1 194 LEU -5.40 -2.43 1 195 GLU -3.24 -2.28 1 196 VAL 1.51 0.45 1 198 ASP -2.90 -1.41 1 199 PHE -3.46 -2.57 1 200 VAL -0.31 -1.88 1 201 TRP -0.42 0.90 1 202 THR -0.33 -1.02 1 205 ASP 1.72 1.54 1 206 THR 3.23 1.76 1 207 HIS -5.11 -2.01 1 209 TYR 3.97 2.90 1 210 SER 3.93 2.56 1 211 ASN 2.05 -1.52 1 212 HIS -4.44 -2.07 1 213 MET 3.77 2.42 1 214 ASP 5.65 3.40 1 215 GLN 8.77 4.74 1 217 HIS 5.00 5.11 1 218 LEU 4.00 2.30 1 219 GLN 8.27 5.39 1 220 LEU 1.70 1.20 1 222 ARG -0.60 -0.92 1 230 LEU -1.01 -1.49 1 231 ILE -1.67 -1.59 1 232 ILE 1.68 -0.48 1 233 LYS 2.54 1.66 1 235 LYS -1.73 -1.98 1 237 GLU 1.87 1.05 1 238 SER -4.47 -2.21 1 239 ILE -0.50 -1.02 1 240 PHE 1.48 -0.60 1 241 ASP -2.96 -0.65 1 242 TYR 2.42 2.03 1 243 ARG -4.80 -2.93 1 244 PHE 4.62 4.13 1 245 GLU 3.62 1.14 1 246 ASP 2.55 1.64 1 248 GLU -4.74 -2.08 1 249 ILE -3.09 -3.59 1 250 GLU -4.03 -2.02 1 252 TYR -0.90 -2.44 1 253 ASP -1.04 -1.61 1 258 ILE -3.24 -0.63 1 259 LYS 0.41 -0.59 1 262 VAL -1.73 -1.93 1 263 ALA 0.25 -1.43 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19082_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 4.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.00 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 -3.14 _LACS_plot.Y_axis_chem_shift_offset 0.69 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 HIS -4.02 4.84 0 134 ASN 3.29 -5.12 0 10 LYS 4.30 -1.16 1 11 VAL 7.30 -2.97 1 12 LEU 4.31 -1.74 1 13 ASP 2.59 -0.16 1 14 GLU -2.21 0.70 1 16 THR -1.77 0.29 1 17 GLN 2.35 -1.94 1 18 LYS -3.45 2.30 1 19 ASN -0.26 -0.28 1 20 ASP -6.29 4.88 1 21 ARG 2.59 -0.03 1 22 THR 0.68 0.77 1 24 THR 4.93 -1.18 1 26 THR -5.91 2.62 1 27 LEU -2.55 1.47 1 28 SER -2.38 0.94 1 29 ILE -3.18 1.32 1 30 PHE -2.49 -0.34 1 33 GLN -4.78 3.21 1 34 MET -4.65 3.25 1 35 ARG -3.90 2.53 1 36 PHE -1.27 -0.36 1 37 ASN 1.67 -2.20 1 39 GLN 4.43 -2.65 1 40 ASP 2.26 -1.18 1 42 PHE -1.93 -0.57 1 44 LEU -5.31 1.25 1 46 THR -1.05 1.96 1 47 THR 4.15 -1.92 1 48 LYS -1.38 0.81 1 49 ARG 3.96 -2.40 1 51 HIS 0.44 0.23 1 54 SER 4.73 -1.12 1 55 ILE 4.42 -0.93 1 56 ILE 6.71 -2.09 1 58 GLU 4.56 -1.32 1 59 LEU 4.92 -2.55 1 60 LEU 6.15 -3.48 1 61 TRP 4.43 -1.77 1 63 LEU 2.84 -0.42 1 64 GLN 0.82 -0.69 1 66 ASP -2.49 1.47 1 67 THR 0.25 -1.13 1 68 ASN -4.37 3.13 1 69 ILE 4.51 -2.24 1 70 ALA 6.56 -2.48 1 71 TYR 2.85 0.23 1 72 LEU 6.37 -4.41 1 73 HIS 3.47 -0.65 1 75 ASN 0.14 -0.75 1 76 ASN 3.71 -2.63 1 77 VAL 1.19 -1.64 1 78 THR 1.10 -1.57 1 79 ILE 6.62 -3.62 1 81 ASP 5.67 -1.93 1 82 GLU 6.30 -3.94 1 83 TRP 3.19 -0.66 1 84 ALA -2.04 0.71 1 85 ASP -0.78 -1.07 1 86 GLU 3.72 -1.86 1 87 ASN -0.70 0.20 1 89 ASP 0.36 1.29 1 90 LEU -2.50 1.63 1 93 VAL -0.21 -2.16 1 96 LYS 3.27 -1.88 1 97 GLN 3.37 -2.82 1 98 TRP 2.63 -0.36 1 99 ARG -0.35 -2.21 1 100 ALA 0.70 -1.99 1 101 TRP 2.48 -2.30 1 105 ASP 0.23 -1.93 1 107 ARG -1.36 -0.21 1 108 HIS -2.41 3.07 1 109 ILE -0.98 0.12 1 110 ASP -0.73 -1.90 1 111 GLN 1.39 2.12 1 112 ILE 5.02 -4.98 1 115 VAL 5.53 -2.66 1 116 LEU 4.50 -1.60 1 117 ASN 4.19 -1.24 1 118 GLN 3.27 0.23 1 119 LEU 3.31 -0.75 1 120 LYS 2.29 -0.24 1 121 ASN -0.50 1.45 1 122 ASP 0.30 -0.34 1 124 ASP 1.16 -0.66 1 125 SER 2.27 -1.54 1 127 ARG -0.49 -1.27 1 128 ILE 5.45 -5.02 1 129 ILE -7.22 4.46 1 130 VAL -0.76 -1.49 1 131 SER -6.11 2.01 1 132 ALA -1.38 -0.40 1 133 TRP 0.93 -2.31 1 135 VAL 4.95 -2.51 1 137 GLU -2.10 0.80 1 138 LEU 3.45 -0.92 1 139 ASP 3.32 -2.19 1 140 LYS -0.68 -0.49 1 141 MET 1.15 -0.49 1 142 ALA 2.12 0.35 1 143 LEU -5.62 4.00 1 144 ALA 2.15 -2.65 1 147 HIS -4.56 2.29 1 148 ALA -0.73 2.60 1 149 PHE -3.00 2.34 1 150 PHE -3.82 1.01 1 151 GLN -6.32 2.84 1 152 PHE -3.00 2.15 1 153 TYR -3.18 1.39 1 154 VAL -2.25 -0.14 1 155 ALA -3.29 2.34 1 158 LYS -3.20 0.96 1 159 LEU -2.68 1.00 1 160 SER -3.56 2.40 1 162 GLN -5.65 2.30 1 164 TYR 0.08 -0.42 1 165 GLN 1.01 -3.08 1 166 ARG 3.35 -2.28 1 167 SER -3.70 1.07 1 169 ASP -0.81 -0.93 1 170 VAL 5.54 -1.94 1 171 PHE 4.45 0.63 1 172 LEU -0.86 0.52 1 174 LEU 8.91 -3.67 1 176 PHE 3.30 -1.01 1 177 ASN 3.39 1.51 1 178 ILE 5.12 -1.36 1 179 ALA 1.90 -0.30 1 180 SER 3.26 -0.21 1 181 TYR 5.24 -0.53 1 182 ALA 3.54 -0.80 1 183 LEU 5.05 -1.86 1 184 LEU 4.82 -2.35 1 188 MET 4.41 -2.12 1 189 ALA 5.41 -2.33 1 191 GLN 2.63 -1.16 1 193 ASP 4.02 -2.56 1 194 LEU -5.40 2.97 1 195 GLU -3.24 0.96 1 196 VAL 1.51 -1.06 1 198 ASP -2.90 1.49 1 199 PHE -3.46 0.89 1 200 VAL -0.31 -1.57 1 201 TRP -0.42 1.32 1 202 THR -0.33 -0.69 1 205 ASP 1.72 -0.18 1 206 THR 3.23 -1.47 1 207 HIS -5.11 3.10 1 209 TYR 3.97 -1.07 1 210 SER 3.93 -1.37 1 211 ASN 2.05 -3.57 1 212 HIS -4.44 2.37 1 213 MET 3.77 -1.35 1 214 ASP 5.65 -2.25 1 215 GLN 8.77 -4.03 1 217 HIS 5.00 0.11 1 218 LEU 4.00 -1.70 1 219 GLN 8.27 -2.88 1 220 LEU 1.70 -0.50 1 222 ARG -0.60 -0.32 1 230 LEU -1.01 -0.48 1 231 ILE -1.67 0.08 1 232 ILE 1.68 -2.16 1 233 LYS 2.54 -0.88 1 235 LYS -1.73 -0.25 1 237 GLU 1.87 -0.82 1 238 SER -4.47 2.26 1 239 ILE -0.50 -0.52 1 240 PHE 1.48 -2.08 1 241 ASP -2.96 2.31 1 242 TYR 2.42 -0.39 1 243 ARG -4.80 1.87 1 244 PHE 4.62 -0.49 1 245 GLU 3.62 -2.48 1 246 ASP 2.55 -0.91 1 248 GLU -4.74 2.66 1 249 ILE -3.09 -0.50 1 250 GLU -4.03 2.01 1 252 TYR -0.90 -1.54 1 253 ASP -1.04 -0.57 1 258 ILE -3.24 2.61 1 259 LYS 0.41 -1.00 1 262 VAL -1.73 -0.20 1 263 ALA 0.25 -1.68 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19082_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 2.23 _LACS_plot.Y_axis_chem_shift_offset 0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 174 LEU 8.91 -1.89 0 212 HIS -4.44 3.96 0 10 LYS 4.30 1.87 1 11 VAL 7.30 2.18 1 12 LEU 4.31 2.35 1 13 ASP 2.59 2.15 1 16 THR -1.77 -0.42 1 17 GLN 2.35 -0.33 1 18 LYS -3.45 -0.15 1 19 ASN -0.26 -2.03 1 20 ASP -6.29 -0.79 1 21 ARG 2.59 0.74 1 26 THR -5.91 -0.08 1 27 LEU -2.55 -0.86 1 28 SER -2.38 -0.12 1 29 ILE -3.18 -3.45 1 30 PHE -2.49 -0.47 1 32 HIS -4.02 -1.63 1 33 GLN -4.78 -2.88 1 34 MET -4.65 -3.72 1 35 ARG -3.90 -2.24 1 36 PHE -1.27 -1.38 1 37 ASN 1.67 3.93 1 39 GLN 4.43 1.66 1 40 ASP 2.26 -0.22 1 42 PHE -1.93 -0.94 1 44 LEU -5.31 -4.41 1 47 THR 4.15 -1.70 1 48 LYS -1.38 -2.66 1 49 ARG 3.96 -0.41 1 51 HIS 0.44 0.78 1 54 SER 4.73 -0.36 1 55 ILE 4.42 2.20 1 56 ILE 6.71 1.09 1 58 GLU 4.56 -0.74 1 59 LEU 4.92 1.51 1 60 LEU 6.15 2.82 1 61 TRP 4.43 2.17 1 63 LEU 2.84 0.53 1 64 GLN 0.82 1.62 1 66 ASP -2.49 -1.12 1 67 THR 0.25 -2.67 1 68 ASN -4.37 2.57 1 69 ILE 4.51 -0.49 1 70 ALA 6.56 2.44 1 71 TYR 2.85 2.08 1 72 LEU 6.37 2.70 1 73 HIS 3.47 5.53 1 75 ASN 0.14 -2.27 1 76 ASN 3.71 -1.98 1 77 VAL 1.19 0.47 1 78 THR 1.10 2.59 1 79 ILE 6.62 -1.66 1 81 ASP 5.67 3.40 1 82 GLU 6.30 0.30 1 84 ALA -2.04 -0.51 1 85 ASP -0.78 2.35 1 86 GLU 3.72 0.47 1 87 ASN -0.70 0.41 1 89 ASP 0.36 1.39 1 90 LEU -2.50 -0.78 1 93 VAL -0.21 -2.18 1 96 LYS 3.27 1.38 1 97 GLN 3.37 3.25 1 98 TRP 2.63 2.28 1 99 ARG -0.35 0.51 1 100 ALA 0.70 -3.04 1 101 TRP 2.48 1.73 1 105 ASP 0.23 0.02 1 107 ARG -1.36 -0.84 1 108 HIS -2.41 1.01 1 109 ILE -0.98 -2.20 1 110 ASP -0.73 1.81 1 111 GLN 1.39 1.58 1 112 ILE 5.02 0.75 1 115 VAL 5.53 1.29 1 116 LEU 4.50 0.97 1 117 ASN 4.19 3.31 1 118 GLN 3.27 2.24 1 119 LEU 3.31 0.46 1 120 LYS 2.29 1.84 1 121 ASN -0.50 -0.43 1 122 ASP 0.30 -2.50 1 124 ASP 1.16 0.63 1 125 SER 2.27 1.69 1 127 ARG -0.49 -1.33 1 128 ILE 5.45 -1.98 1 129 ILE -7.22 -1.14 1 130 VAL -0.76 -2.70 1 131 SER -6.11 0.59 1 132 ALA -1.38 -1.64 1 134 ASN 3.29 -0.41 1 135 VAL 4.95 -0.65 1 137 GLU -2.10 -0.45 1 138 LEU 3.45 1.64 1 139 ASP 3.32 0.43 1 140 LYS -0.68 0.53 1 141 MET 1.15 0.64 1 142 ALA 2.12 0.21 1 143 LEU -5.62 -2.09 1 144 ALA 2.15 0.75 1 147 HIS -4.56 -0.18 1 148 ALA -0.73 -2.60 1 149 PHE -3.00 -3.78 1 150 PHE -3.82 -4.20 1 151 GLN -6.32 -1.62 1 152 PHE -3.00 -2.73 1 153 TYR -3.18 -3.42 1 154 VAL -2.25 -1.43 1 155 ALA -3.29 -0.49 1 158 LYS -3.20 -0.92 1 159 LEU -2.68 -2.52 1 160 SER -3.56 -1.60 1 162 GLN -5.65 -3.30 1 164 TYR 0.08 -2.46 1 165 GLN 1.01 -2.45 1 167 SER -3.70 -0.69 1 169 ASP -0.81 0.14 1 170 VAL 5.54 0.75 1 171 PHE 4.45 -2.35 1 172 LEU -0.86 1.04 1 176 PHE 3.30 1.22 1 177 ASN 3.39 1.88 1 178 ILE 5.12 -0.44 1 179 ALA 1.90 0.10 1 180 SER 3.26 2.46 1 181 TYR 5.24 2.37 1 182 ALA 3.54 1.76 1 183 LEU 5.05 0.55 1 184 LEU 4.82 1.65 1 188 MET 4.41 2.00 1 189 ALA 5.41 1.78 1 191 GLN 2.63 1.34 1 193 ASP 4.02 -1.92 1 194 LEU -5.40 -0.86 1 195 GLU -3.24 0.42 1 196 VAL 1.51 -0.80 1 198 ASP -2.90 0.33 1 199 PHE -3.46 -2.43 1 200 VAL -0.31 -4.52 1 201 TRP -0.42 -2.22 1 202 THR -0.33 -3.45 1 205 ASP 1.72 -1.97 1 206 THR 3.23 -2.49 1 207 HIS -5.11 -1.67 1 209 TYR 3.97 3.06 1 210 SER 3.93 0.09 1 211 ASN 2.05 0.02 1 213 MET 3.77 1.69 1 214 ASP 5.65 3.38 1 215 GLN 8.77 1.16 1 217 HIS 5.00 4.65 1 218 LEU 4.00 2.32 1 219 GLN 8.27 1.68 1 220 LEU 1.70 0.57 1 222 ARG -0.60 -1.65 1 230 LEU -1.01 -2.52 1 231 ILE -1.67 -1.86 1 232 ILE 1.68 2.09 1 233 LYS 2.54 -1.52 1 235 LYS -1.73 -0.99 1 237 GLU 1.87 -1.27 1 238 SER -4.47 0.25 1 239 ILE -0.50 -3.40 1 240 PHE 1.48 0.26 1 241 ASP -2.96 -0.16 1 242 TYR 2.42 -0.71 1 243 ARG -4.80 0.39 1 244 PHE 4.62 0.97 1 245 GLU 3.62 -0.28 1 246 ASP 2.55 -1.92 1 249 ILE -3.09 -1.54 1 250 GLU -4.03 0.13 1 252 TYR -0.90 -2.60 1 253 ASP -1.04 -3.24 1 258 ILE -3.24 -2.13 1 259 LYS 0.41 -0.16 1 262 VAL -1.73 -2.21 1 263 ALA 0.25 -1.27 1 stop_ save_