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 bmr16916_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.87 _LACS_plot.Line_1_terminator_val_y_1 -2.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.07 _LACS_plot.Line_2_terminator_val_x_2 8.79 _LACS_plot.Line_2_terminator_val_y_2 6.34 _LACS_plot.Y_axis_chem_shift_offset 0.53 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 GLU -6.87 -1.98 0 72 HIS 7.91 7.47 0 13 ASN -5.90 -0.71 0 123 LYS 5.23 -0.08 0 232 ASN 2.97 5.47 0 10 SER -3.43 -2.93 1 11 TYR -0.84 0.46 1 12 ALA -3.09 -1.78 1 14 ILE -3.90 -2.24 1 15 ALA -1.74 -0.93 1 16 ILE 3.39 0.92 1 17 ILE -1.60 -3.44 1 18 LYS -0.22 -0.55 1 19 TYR -1.65 -3.75 1 20 TRP -1.39 0.51 1 22 LYS 0.32 -0.29 1 23 LYS 2.67 2.87 1 31 ALA 1.36 0.30 1 32 THR -3.66 -3.31 1 33 SER 2.15 -0.28 1 34 SER -3.14 -1.03 1 35 ILE -4.92 -0.53 1 36 SER -5.64 -1.82 1 37 LEU -3.08 -1.44 1 38 THR 1.97 0.30 1 39 LEU 0.41 -0.71 1 40 GLU 1.58 1.38 1 41 ASN -1.46 -1.12 1 42 MET -2.86 -0.57 1 43 TYR -3.79 -2.64 1 44 THR -3.55 0.05 1 45 GLU -4.19 -2.12 1 46 THR -1.40 0.57 1 47 THR -3.26 -1.69 1 48 LEU -3.45 -2.37 1 49 SER -1.39 -1.02 1 51 LEU -1.27 -0.95 1 53 ALA 2.37 1.48 1 54 ASN 1.95 0.21 1 55 VAL 1.67 -0.09 1 56 THR 0.26 -0.77 1 57 ALA -3.60 -1.18 1 58 ASP 0.50 0.99 1 60 PHE -3.25 -3.91 1 61 TYR -4.97 -1.84 1 62 ILE -1.39 -1.04 1 63 ASN 3.38 0.73 1 65 GLN -1.82 -1.98 1 66 LEU 1.86 0.77 1 67 GLN -2.73 -1.94 1 68 ASN 0.15 -0.62 1 69 GLU 4.74 3.47 1 70 VAL 5.27 3.52 1 71 GLU 2.82 1.61 1 73 ALA 4.33 2.45 1 74 LYS 3.62 2.90 1 75 MET 2.90 0.74 1 76 SER 6.70 5.09 1 77 LYS 4.10 2.60 1 78 ILE 5.36 3.39 1 79 ILE 5.71 3.81 1 80 ASP 3.39 2.49 1 81 ARG 4.55 2.42 1 82 TYR -3.07 -1.25 1 83 ARG -0.98 -0.38 1 85 ALA 2.36 0.69 1 87 GLU -0.27 0.22 1 89 PHE 0.43 0.61 1 90 VAL -4.87 -2.67 1 91 ARG -1.31 -1.59 1 92 ILE -1.74 -1.17 1 93 ASP -3.67 -0.91 1 95 GLN -3.11 -1.81 1 96 ASN -2.58 -1.32 1 98 MET 4.11 3.52 1 113 ALA 5.08 3.03 1 114 LEU 4.96 2.82 1 115 VAL 6.76 5.31 1 116 LYS 3.78 3.69 1 117 ALA 4.59 2.29 1 119 ASN 2.59 3.59 1 120 ALA 2.67 1.80 1 121 TYR 1.63 3.22 1 122 PHE 1.97 -0.30 1 124 LEU 3.31 0.96 1 126 LEU 1.44 -0.49 1 127 ASP -2.27 -2.45 1 128 ARG 5.82 4.29 1 129 SER 3.74 2.48 1 130 GLN 2.32 2.28 1 131 LEU 4.13 2.10 1 132 ALA 4.50 2.78 1 133 GLN 4.23 2.19 1 134 GLU 1.92 1.31 1 135 ALA 4.06 2.16 1 136 LYS 4.93 2.60 1 137 PHE 4.15 2.24 1 138 ALA 2.35 1.39 1 139 SER -2.29 -0.81 1 141 SER 4.54 3.86 1 142 SER 3.28 3.10 1 143 SER 3.94 3.04 1 144 ARG 3.34 1.02 1 145 SER 4.20 4.32 1 146 PHE 3.18 2.44 1 147 TYR -3.57 -0.93 1 150 LEU -3.62 -0.32 1 152 ALA -6.00 -2.58 1 153 TRP -6.81 -5.05 1 154 ASP -4.13 -0.98 1 155 LYS 3.83 1.29 1 156 ASP 2.32 2.26 1 157 SER -0.77 -0.41 1 159 GLU -0.45 0.35 1 160 ILE -0.26 -1.61 1 161 TYR -1.61 -1.96 1 163 VAL -1.84 -1.65 1 164 GLU -1.11 -0.36 1 165 THR 0.61 -0.58 1 166 ASP -0.01 0.23 1 167 LEU -0.15 0.07 1 168 LYS 0.04 -2.02 1 169 LEU -3.04 -1.01 1 170 ALA -5.45 -1.19 1 171 MET -2.44 -1.73 1 172 ILE -2.38 -1.12 1 173 ASN 0.92 2.06 1 174 LEU 1.28 -1.99 1 175 VAL 3.73 0.28 1 176 LEU -2.15 -0.87 1 177 GLU -1.64 -0.48 1 178 ASP -0.66 -1.11 1 186 ARG 4.85 4.29 1 187 ASP 3.96 2.32 1 189 MET 8.79 3.85 1 190 LYS 4.07 2.88 1 191 LEU 3.49 2.17 1 193 VAL 5.64 3.47 1 194 GLU 1.37 1.92 1 195 THR -2.81 0.31 1 196 SER 2.74 0.93 1 197 THR 3.59 1.98 1 198 THR -0.02 -1.18 1 199 PHE 5.95 5.99 1 200 ASP 4.74 3.34 1 201 ASP 3.83 3.04 1 202 TRP 2.69 1.49 1 203 VAL 6.40 4.49 1 204 ARG 4.14 3.07 1 205 GLN 3.95 2.17 1 206 SER 7.42 5.06 1 207 GLU 3.99 3.23 1 208 LYS 3.70 1.86 1 209 ASP 4.32 3.25 1 210 TYR 3.76 2.86 1 211 GLN 4.09 2.28 1 212 ASP 3.94 2.28 1 213 MET 4.72 1.63 1 214 LEU 4.39 2.93 1 215 ILE 5.42 2.89 1 216 TYR 1.97 0.38 1 217 LEU 4.43 3.12 1 218 LYS 4.17 2.29 1 219 GLU 0.10 -0.71 1 220 ASN 3.44 1.49 1 221 ASP -0.82 -1.95 1 222 PHE 4.97 3.81 1 223 ALA 3.67 1.94 1 224 LYS 5.78 2.40 1 225 ILE 4.12 3.30 1 227 GLU 3.17 2.15 1 228 LEU 3.20 1.80 1 229 THR 7.41 5.59 1 230 GLU 4.57 3.38 1 231 LYS 4.17 3.51 1 233 ALA 3.94 2.98 1 234 LEU 4.49 2.78 1 235 ALA 3.59 1.94 1 236 MET 2.58 3.11 1 237 HIS 4.16 5.56 1 238 ALA 3.57 1.91 1 239 THR 2.33 2.71 1 240 THR 7.40 2.60 1 241 LYS 2.27 1.26 1 242 THR 0.15 -1.68 1 243 ALA -1.14 -0.74 1 244 SER -3.71 -2.38 1 246 ALA -0.46 -0.06 1 247 PHE -3.28 -2.33 1 248 SER -3.43 -2.51 1 249 TYR 1.51 1.83 1 250 LEU 0.40 -1.30 1 251 THR -4.77 -2.94 1 252 ASP 5.30 3.63 1 253 ALA 3.01 1.97 1 255 TYR 5.36 3.58 1 256 GLU 4.12 2.85 1 257 ALA 3.95 2.29 1 258 MET 2.70 4.32 1 259 ASP 3.77 2.90 1 260 PHE 3.99 3.23 1 261 VAL 6.82 4.96 1 262 ARG 5.88 4.43 1 263 GLN 4.67 2.85 1 264 LEU 4.34 2.01 1 265 ARG 4.57 3.34 1 266 GLU 3.37 1.97 1 267 LYS 1.10 -0.46 1 269 GLU -1.29 -2.21 1 270 ALA -1.51 -2.41 1 272 TYR -4.78 -1.14 1 273 PHE -4.98 -2.13 1 274 THR 1.11 0.15 1 275 MET 1.10 0.66 1 276 ASP -2.21 -0.97 1 277 ALA 0.56 -2.52 1 280 ASN 3.57 1.77 1 281 VAL -0.91 -0.02 1 282 LYS 0.88 -0.78 1 283 VAL 0.16 -0.97 1 284 PHE -4.64 -3.12 1 286 GLN -1.25 -0.48 1 287 GLU 4.10 3.58 1 288 LYS 4.54 1.68 1 289 ASP -1.03 0.15 1 290 LEU 3.37 3.62 1 291 GLU 5.22 3.65 1 292 HIS 4.14 3.45 1 293 LEU 3.37 1.99 1 294 SER 6.43 4.64 1 295 GLU 3.52 2.31 1 296 ILE 4.38 3.36 1 297 PHE 6.15 5.42 1 299 GLN 2.22 1.25 1 300 ARG -2.65 -0.31 1 301 TYR -4.49 -1.30 1 302 ARG 1.06 0.04 1 303 LEU -4.42 -1.55 1 304 ILE -1.52 -0.03 1 305 VAL -2.82 -2.20 1 306 SER -1.43 -0.20 1 307 LYS 0.67 -0.03 1 308 THR -1.92 -0.44 1 309 LYS -4.93 -4.08 1 310 ASP -0.36 -1.04 1 311 LEU -0.55 -1.83 1 312 SER 3.59 2.86 1 313 GLN 0.54 -0.39 1 314 ASP 0.42 0.31 1 315 ASP 0.41 0.04 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16916_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.87 _LACS_plot.Line_1_terminator_val_y_1 4.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.07 _LACS_plot.Line_2_terminator_val_x_2 8.79 _LACS_plot.Line_2_terminator_val_y_2 -2.45 _LACS_plot.Y_axis_chem_shift_offset 0.53 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 GLU -6.87 4.89 0 72 HIS 7.91 -0.44 0 13 ASN -5.90 5.19 0 123 LYS 5.23 -5.31 0 232 ASN 2.97 2.50 0 10 SER -3.43 0.50 1 11 TYR -0.84 1.30 1 12 ALA -3.09 1.31 1 14 ILE -3.90 1.66 1 15 ALA -1.74 0.81 1 16 ILE 3.39 -2.47 1 17 ILE -1.60 -1.84 1 18 LYS -0.22 -0.33 1 19 TYR -1.65 -2.10 1 20 TRP -1.39 1.90 1 22 LYS 0.32 -0.61 1 23 LYS 2.67 0.20 1 31 ALA 1.36 -1.06 1 32 THR -3.66 0.35 1 33 SER 2.15 -2.43 1 34 SER -3.14 2.11 1 35 ILE -4.92 4.39 1 36 SER -5.64 3.82 1 37 LEU -3.08 1.64 1 38 THR 1.97 -1.67 1 39 LEU 0.41 -1.12 1 40 GLU 1.58 -0.20 1 41 ASN -1.46 0.34 1 42 MET -2.86 2.29 1 43 TYR -3.79 1.15 1 44 THR -3.55 3.60 1 45 GLU -4.19 2.07 1 46 THR -1.40 1.97 1 47 THR -3.26 1.57 1 48 LEU -3.45 1.08 1 49 SER -1.39 0.37 1 51 LEU -1.27 0.32 1 53 ALA 2.37 -0.89 1 54 ASN 1.95 -1.74 1 55 VAL 1.67 -1.76 1 56 THR 0.26 -1.03 1 57 ALA -3.60 2.42 1 58 ASP 0.50 0.49 1 60 PHE -3.25 -0.66 1 61 TYR -4.97 3.13 1 62 ILE -1.39 0.35 1 63 ASN 3.38 -2.65 1 65 GLN -1.82 -0.16 1 66 LEU 1.86 -1.09 1 67 GLN -2.73 0.79 1 68 ASN 0.15 -0.77 1 69 GLU 4.74 -1.27 1 70 VAL 5.27 -1.75 1 71 GLU 2.82 -1.21 1 73 ALA 4.33 -1.88 1 74 LYS 3.62 -0.72 1 75 MET 2.90 -2.16 1 76 SER 6.70 -1.61 1 77 LYS 4.10 -1.50 1 78 ILE 5.36 -1.97 1 79 ILE 5.71 -1.90 1 80 ASP 3.39 -0.90 1 81 ARG 4.55 -2.13 1 82 TYR -3.07 1.82 1 83 ARG -0.98 0.60 1 85 ALA 2.36 -1.67 1 87 GLU -0.27 0.49 1 89 PHE 0.43 0.18 1 90 VAL -4.87 2.20 1 91 ARG -1.31 -0.28 1 92 ILE -1.74 0.57 1 93 ASP -3.67 2.76 1 95 GLN -3.11 1.30 1 96 ASN -2.58 1.26 1 98 MET 4.11 -0.59 1 113 ALA 5.08 -2.05 1 114 LEU 4.96 -2.14 1 115 VAL 6.76 -1.45 1 116 LYS 3.78 -0.09 1 117 ALA 4.59 -2.30 1 119 ASN 2.59 1.00 1 120 ALA 2.67 -0.87 1 121 TYR 1.63 1.59 1 122 PHE 1.97 -2.27 1 124 LEU 3.31 -2.35 1 126 LEU 1.44 -1.93 1 127 ASP -2.27 -0.18 1 128 ARG 5.82 -1.53 1 129 SER 3.74 -1.26 1 130 GLN 2.32 -0.04 1 131 LEU 4.13 -2.03 1 132 ALA 4.50 -1.72 1 133 GLN 4.23 -2.04 1 134 GLU 1.92 -0.61 1 135 ALA 4.06 -1.90 1 136 LYS 4.93 -2.33 1 137 PHE 4.15 -1.91 1 138 ALA 2.35 -0.96 1 139 SER -2.29 1.48 1 141 SER 4.54 -0.68 1 142 SER 3.28 -0.18 1 143 SER 3.94 -0.90 1 144 ARG 3.34 -2.32 1 145 SER 4.20 0.12 1 146 PHE 3.18 -0.74 1 147 TYR -3.57 2.64 1 150 LEU -3.62 3.30 1 152 ALA -6.00 3.42 1 153 TRP -6.81 1.76 1 154 ASP -4.13 3.15 1 155 LYS 3.83 -2.54 1 156 ASP 2.32 -0.06 1 157 SER -0.77 0.36 1 159 GLU -0.45 0.80 1 160 ILE -0.26 -1.35 1 161 TYR -1.61 -0.35 1 163 VAL -1.84 0.19 1 164 GLU -1.11 0.75 1 165 THR 0.61 -1.19 1 166 ASP -0.01 0.24 1 167 LEU -0.15 0.22 1 168 LYS 0.04 -2.06 1 169 LEU -3.04 2.03 1 170 ALA -5.45 4.26 1 171 MET -2.44 0.71 1 172 ILE -2.38 1.26 1 173 ASN 0.92 1.14 1 174 LEU 1.28 -3.27 1 175 VAL 3.73 -3.45 1 176 LEU -2.15 1.28 1 177 GLU -1.64 1.16 1 178 ASP -0.66 -0.45 1 186 ARG 4.85 -0.56 1 187 ASP 3.96 -1.64 1 189 MET 8.79 -4.94 1 190 LYS 4.07 -1.19 1 191 LEU 3.49 -1.32 1 193 VAL 5.64 -2.17 1 194 GLU 1.37 0.55 1 195 THR -2.81 3.12 1 196 SER 2.74 -1.81 1 197 THR 3.59 -1.61 1 198 THR -0.02 -1.16 1 199 PHE 5.95 0.04 1 200 ASP 4.74 -1.40 1 201 ASP 3.83 -0.79 1 202 TRP 2.69 -1.20 1 203 VAL 6.40 -1.91 1 204 ARG 4.14 -1.07 1 205 GLN 3.95 -1.78 1 206 SER 7.42 -2.36 1 207 GLU 3.99 -0.76 1 208 LYS 3.70 -1.84 1 209 ASP 4.32 -1.07 1 210 TYR 3.76 -0.90 1 211 GLN 4.09 -1.81 1 212 ASP 3.94 -1.66 1 213 MET 4.72 -3.09 1 214 LEU 4.39 -1.46 1 215 ILE 5.42 -2.53 1 216 TYR 1.97 -1.59 1 217 LEU 4.43 -1.31 1 218 LYS 4.17 -1.88 1 219 GLU 0.10 -0.81 1 220 ASN 3.44 -1.95 1 221 ASP -0.82 -1.13 1 222 PHE 4.97 -1.16 1 223 ALA 3.67 -1.73 1 224 LYS 5.78 -3.38 1 225 ILE 4.12 -0.82 1 227 GLU 3.17 -1.02 1 228 LEU 3.20 -1.40 1 229 THR 7.41 -1.82 1 230 GLU 4.57 -1.19 1 231 LYS 4.17 -0.66 1 233 ALA 3.94 -0.96 1 234 LEU 4.49 -1.71 1 235 ALA 3.59 -1.65 1 236 MET 2.58 0.53 1 237 HIS 4.16 1.40 1 238 ALA 3.57 -1.66 1 239 THR 2.33 0.38 1 240 THR 7.40 -4.80 1 241 LYS 2.27 -1.01 1 242 THR 0.15 -1.83 1 243 ALA -1.14 0.40 1 244 SER -3.71 1.33 1 246 ALA -0.46 0.40 1 247 PHE -3.28 0.95 1 248 SER -3.43 0.92 1 249 TYR 1.51 0.32 1 250 LEU 0.40 -1.70 1 251 THR -4.77 1.83 1 252 ASP 5.30 -1.67 1 253 ALA 3.01 -1.04 1 255 TYR 5.36 -1.78 1 256 GLU 4.12 -1.27 1 257 ALA 3.95 -1.66 1 258 MET 2.70 1.62 1 259 ASP 3.77 -0.87 1 260 PHE 3.99 -0.76 1 261 VAL 6.82 -1.86 1 262 ARG 5.88 -1.45 1 263 GLN 4.67 -1.82 1 264 LEU 4.34 -2.33 1 265 ARG 4.57 -1.23 1 266 GLU 3.37 -1.40 1 267 LYS 1.10 -1.56 1 269 GLU -1.29 -0.92 1 270 ALA -1.51 -0.90 1 272 TYR -4.78 3.64 1 273 PHE -4.98 2.85 1 274 THR 1.11 -0.96 1 275 MET 1.10 -0.44 1 276 ASP -2.21 1.24 1 277 ALA 0.56 -3.08 1 280 ASN 3.57 -1.80 1 281 VAL -0.91 0.89 1 282 LYS 0.88 -1.66 1 283 VAL 0.16 -1.13 1 284 PHE -4.64 1.52 1 286 GLN -1.25 0.77 1 287 GLU 4.10 -0.52 1 288 LYS 4.54 -2.86 1 289 ASP -1.03 1.18 1 290 LEU 3.37 0.25 1 291 GLU 5.22 -1.57 1 292 HIS 4.14 -0.69 1 293 LEU 3.37 -1.38 1 294 SER 6.43 -1.79 1 295 GLU 3.52 -1.21 1 296 ILE 4.38 -1.02 1 297 PHE 6.15 -0.73 1 299 GLN 2.22 -0.97 1 300 ARG -2.65 2.34 1 301 TYR -4.49 3.19 1 302 ARG 1.06 -1.02 1 303 LEU -4.42 2.87 1 304 ILE -1.52 1.49 1 305 VAL -2.82 0.62 1 306 SER -1.43 1.23 1 307 LYS 0.67 -0.70 1 308 THR -1.92 1.48 1 309 LYS -4.93 0.85 1 310 ASP -0.36 -0.68 1 311 LEU -0.55 -1.28 1 312 SER 3.59 -0.73 1 313 GLN 0.54 -0.93 1 314 ASP 0.42 -0.11 1 315 ASP 0.41 -0.37 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16916_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.87 _LACS_plot.Line_1_terminator_val_y_1 -3.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 8.79 _LACS_plot.Line_2_terminator_val_y_2 3.73 _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 206 SER 7.42 -0.15 0 189 MET 8.79 0.31 0 10 SER -3.43 -2.44 1 11 TYR -0.84 -0.96 1 12 ALA -3.09 -2.74 1 13 ASN -5.90 -1.62 1 14 ILE -3.90 -1.54 1 15 ALA -1.74 0.28 1 16 ILE 3.39 -0.06 1 17 ILE -1.60 0.80 1 18 LYS -0.22 1.10 1 19 TYR -1.65 -3.59 1 20 TRP -1.39 -2.40 1 22 LYS 0.32 -0.96 1 23 LYS 2.67 2.28 1 31 ALA 1.36 -0.64 1 32 THR -3.66 -1.01 1 33 SER 2.15 -2.79 1 34 SER -3.14 -0.88 1 35 ILE -4.92 -1.51 1 36 SER -5.64 -2.65 1 37 LEU -3.08 -1.06 1 38 THR 1.97 0.34 1 39 LEU 0.41 -2.47 1 40 GLU 1.58 -0.52 1 41 ASN -1.46 -0.23 1 42 MET -2.86 -3.58 1 43 TYR -3.79 -2.65 1 44 THR -3.55 -1.76 1 45 GLU -4.19 -0.90 1 46 THR -1.40 -2.34 1 47 THR -3.26 -0.48 1 48 LEU -3.45 -2.69 1 49 SER -1.39 1.00 1 51 LEU -1.27 -0.50 1 53 ALA 2.37 0.30 1 54 ASN 1.95 0.63 1 55 VAL 1.67 0.72 1 56 THR 0.26 -1.78 1 57 ALA -3.60 -1.81 1 58 ASP 0.50 -0.55 1 59 GLU -6.87 -1.98 1 60 PHE -3.25 -4.20 1 61 TYR -4.97 -0.38 1 62 ILE -1.39 1.23 1 63 ASN 3.38 0.68 1 65 GLN -1.82 0.47 1 66 LEU 1.86 0.21 1 67 GLN -2.73 -1.05 1 68 ASN 0.15 2.71 1 69 GLU 4.74 2.64 1 70 VAL 5.27 3.43 1 71 GLU 2.82 3.40 1 72 HIS 7.91 3.30 1 73 ALA 4.33 2.77 1 74 LYS 3.62 2.61 1 75 MET 2.90 3.36 1 76 SER 6.70 0.58 1 77 LYS 4.10 2.61 1 78 ILE 5.36 1.37 1 79 ILE 5.71 2.75 1 80 ASP 3.39 1.45 1 81 ARG 4.55 0.52 1 82 TYR -3.07 -1.35 1 83 ARG -0.98 -0.70 1 85 ALA 2.36 1.69 1 87 GLU -0.27 0.15 1 89 PHE 0.43 -0.24 1 90 VAL -4.87 -2.47 1 91 ARG -1.31 -1.44 1 92 ILE -1.74 -1.59 1 93 ASP -3.67 -0.90 1 95 GLN -3.11 -0.91 1 96 ASN -2.58 0.05 1 98 MET 4.11 -0.69 1 113 ALA 5.08 1.13 1 114 LEU 4.96 1.65 1 115 VAL 6.76 1.57 1 116 LYS 3.78 2.63 1 117 ALA 4.59 1.58 1 119 ASN 2.59 2.30 1 120 ALA 2.67 1.43 1 121 TYR 1.63 0.93 1 122 PHE 1.97 -2.04 1 123 LYS 5.23 0.28 1 124 LEU 3.31 1.98 1 126 LEU 1.44 -0.02 1 127 ASP -2.27 -0.48 1 128 ARG 5.82 0.81 1 129 SER 3.74 3.00 1 130 GLN 2.32 3.80 1 131 LEU 4.13 0.27 1 132 ALA 4.50 1.22 1 133 GLN 4.23 2.71 1 134 GLU 1.92 3.54 1 135 ALA 4.06 0.77 1 136 LYS 4.93 -0.95 1 137 PHE 4.15 1.19 1 138 ALA 2.35 -0.25 1 139 SER -2.29 1.72 1 141 SER 4.54 3.12 1 142 SER 3.28 1.21 1 143 SER 3.94 0.75 1 144 ARG 3.34 2.86 1 145 SER 4.20 -2.26 1 146 PHE 3.18 -2.34 1 147 TYR -3.57 -2.58 1 150 LEU -3.62 -1.06 1 152 ALA -6.00 -3.98 1 153 TRP -6.81 -2.18 1 154 ASP -4.13 0.41 1 155 LYS 3.83 -0.20 1 156 ASP 2.32 0.89 1 157 SER -0.77 2.43 1 159 GLU -0.45 -1.71 1 160 ILE -0.26 -0.46 1 161 TYR -1.61 -4.12 1 163 VAL -1.84 -0.94 1 164 GLU -1.11 -1.42 1 165 THR 0.61 -2.21 1 166 ASP -0.01 1.29 1 167 LEU -0.15 -1.78 1 168 LYS 0.04 0.30 1 169 LEU -3.04 -2.66 1 170 ALA -5.45 -4.06 1 171 MET -2.44 -2.26 1 172 ILE -2.38 -1.46 1 173 ASN 0.92 -1.60 1 174 LEU 1.28 -1.72 1 175 VAL 3.73 -0.77 1 176 LEU -2.15 -0.51 1 177 GLU -1.64 -1.17 1 178 ASP -0.66 -0.37 1 186 ARG 4.85 3.03 1 187 ASP 3.96 3.18 1 190 LYS 4.07 1.07 1 191 LEU 3.49 4.17 1 193 VAL 5.64 3.00 1 194 GLU 1.37 2.53 1 195 THR -2.81 1.28 1 196 SER 2.74 4.90 1 197 THR 3.59 1.47 1 198 THR -0.02 0.72 1 199 PHE 5.95 1.00 1 200 ASP 4.74 2.75 1 201 ASP 3.83 2.08 1 202 TRP 2.69 2.66 1 203 VAL 6.40 2.92 1 204 ARG 4.14 3.61 1 205 GLN 3.95 2.72 1 207 GLU 3.99 2.21 1 208 LYS 3.70 1.14 1 209 ASP 4.32 1.41 1 210 TYR 3.76 -0.17 1 211 GLN 4.09 3.73 1 212 ASP 3.94 0.56 1 213 MET 4.72 2.00 1 214 LEU 4.39 3.14 1 215 ILE 5.42 1.93 1 216 TYR 1.97 3.53 1 217 LEU 4.43 2.19 1 218 LYS 4.17 2.18 1 219 GLU 0.10 -0.75 1 220 ASN 3.44 -0.85 1 221 ASP -0.82 -1.27 1 222 PHE 4.97 -0.39 1 223 ALA 3.67 2.08 1 224 LYS 5.78 3.48 1 225 ILE 4.12 3.41 1 227 GLU 3.17 3.53 1 228 LEU 3.20 -0.06 1 229 THR 7.41 3.86 1 230 GLU 4.57 1.76 1 231 LYS 4.17 4.04 1 232 ASN 2.97 1.52 1 233 ALA 3.94 2.91 1 234 LEU 4.49 2.73 1 235 ALA 3.59 1.71 1 236 MET 2.58 3.33 1 237 HIS 4.16 3.12 1 238 ALA 3.57 3.09 1 239 THR 2.33 2.53 1 240 THR 7.40 2.50 1 241 LYS 2.27 0.46 1 242 THR 0.15 0.37 1 243 ALA -1.14 -3.13 1 244 SER -3.71 1.61 1 246 ALA -0.46 0.19 1 247 PHE -3.28 -2.71 1 248 SER -3.43 -1.52 1 249 TYR 1.51 -0.11 1 250 LEU 0.40 -0.25 1 251 THR -4.77 0.59 1 252 ASP 5.30 2.99 1 253 ALA 3.01 3.04 1 255 TYR 5.36 2.82 1 256 GLU 4.12 2.51 1 257 ALA 3.95 2.04 1 258 MET 2.70 2.03 1 259 ASP 3.77 2.23 1 260 PHE 3.99 1.81 1 261 VAL 6.82 1.45 1 262 ARG 5.88 3.84 1 263 GLN 4.67 3.68 1 264 LEU 4.34 2.99 1 265 ARG 4.57 5.40 1 266 GLU 3.37 1.81 1 267 LYS 1.10 0.29 1 269 GLU -1.29 -0.80 1 270 ALA -1.51 -3.39 1 272 TYR -4.78 -1.82 1 273 PHE -4.98 -2.61 1 274 THR 1.11 -2.27 1 275 MET 1.10 -1.12 1 276 ASP -2.21 -1.94 1 277 ALA 0.56 -2.36 1 280 ASN 3.57 -0.02 1 281 VAL -0.91 -3.35 1 282 LYS 0.88 -2.92 1 283 VAL 0.16 -2.40 1 284 PHE -4.64 -1.10 1 286 GLN -1.25 2.07 1 287 GLU 4.10 2.17 1 288 LYS 4.54 -0.12 1 289 ASP -1.03 -0.46 1 290 LEU 3.37 1.35 1 291 GLU 5.22 2.68 1 292 HIS 4.14 3.61 1 293 LEU 3.37 2.20 1 294 SER 6.43 2.49 1 295 GLU 3.52 2.20 1 296 ILE 4.38 3.59 1 297 PHE 6.15 3.18 1 299 GLN 2.22 0.66 1 300 ARG -2.65 -1.56 1 301 TYR -4.49 -0.40 1 302 ARG 1.06 -0.77 1 303 LEU -4.42 0.39 1 304 ILE -1.52 -0.38 1 305 VAL -2.82 -0.32 1 306 SER -1.43 -0.98 1 307 LYS 0.67 1.61 1 308 THR -1.92 -1.31 1 309 LYS -4.93 -3.08 1 310 ASP -0.36 0.54 1 311 LEU -0.55 0.52 1 312 SER 3.59 1.31 1 313 GLN 0.54 0.01 1 314 ASP 0.42 -0.22 1 315 ASP 0.41 0.30 1 stop_ save_