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 bmr26951_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.86 _LACS_plot.Line_1_terminator_val_y_1 -3.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.64 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 7.41 _LACS_plot.Y_axis_chem_shift_offset -0.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 316 ARG -9.86 1.51 0 12 LEU -4.72 -0.97 1 24 LEU 3.33 2.68 1 25 LEU 4.01 4.12 1 26 GLN 5.18 3.61 1 27 THR 7.14 6.31 1 28 LEU 2.32 3.25 1 29 PHE 5.23 4.68 1 30 PHE 5.21 3.27 1 31 THR 2.77 -0.61 1 32 ASN 7.14 5.80 1 33 GLN 4.20 5.00 1 34 LEU 4.28 2.95 1 35 ARG 4.73 4.60 1 36 LYS 4.45 4.61 1 37 ALA 3.27 3.55 1 38 VAL 5.20 4.71 1 39 TYR 2.43 1.60 1 40 MET 0.22 0.46 1 41 MET 2.03 2.81 1 43 THR -0.98 -0.76 1 44 GLU 4.48 3.94 1 46 ASP 0.34 0.80 1 47 ASP -2.15 0.38 1 50 LYS -0.89 0.39 1 51 SER -0.39 -0.63 1 52 VAL 9.59 7.29 1 54 LEU 2.08 2.32 1 55 ALA 3.29 2.81 1 57 GLN 4.98 5.33 1 58 ARG 5.68 4.86 1 59 VAL 1.33 4.87 1 60 PHE 3.81 0.54 1 61 TYR 4.93 5.99 1 62 GLU 3.00 4.08 1 63 LEU 5.04 3.34 1 64 GLN 2.43 2.19 1 65 HIS 0.84 3.87 1 66 SER 0.12 1.26 1 67 ASP -0.28 0.12 1 68 LYS -1.76 -0.29 1 70 VAL -0.61 1.79 1 73 LYS 4.05 3.33 1 74 LYS 6.49 3.99 1 75 LEU 3.99 2.97 1 76 THR 6.23 4.38 1 77 LYS 3.88 3.09 1 79 PHE 0.36 -0.46 1 81 TRP -1.45 -1.90 1 82 GLU -1.74 1.02 1 83 THR -3.76 -1.20 1 88 MET 2.91 2.23 1 89 GLN 0.93 0.68 1 90 HIS -4.11 0.16 1 91 ASP -3.44 -0.75 1 94 GLU 2.57 3.31 1 95 LEU 4.59 2.89 1 97 ARG 3.85 3.63 1 98 VAL 5.05 4.67 1 99 LEU 4.01 3.81 1 100 LEU 5.51 3.21 1 101 ASP 4.29 4.11 1 102 ASN 2.72 4.70 1 103 VAL 5.35 4.20 1 104 GLU 4.05 3.62 1 105 ASN 4.17 4.40 1 106 LYS 0.32 -0.12 1 107 MET 1.86 1.86 1 108 LYS 4.12 3.58 1 110 THR -4.93 -0.74 1 112 VAL -0.02 -1.06 1 113 GLU 3.00 3.24 1 115 THR 1.79 2.71 1 118 LYS 4.57 4.17 1 119 LEU 0.70 2.80 1 120 PHE -2.06 1.78 1 121 ARG -2.46 -0.28 1 123 LYS -4.24 -0.56 1 124 MET -5.25 -0.25 1 125 VAL -5.28 -1.88 1 126 SER -1.83 -1.10 1 127 TYR -6.52 -1.73 1 128 ILE -2.23 0.24 1 129 GLN -4.61 -1.42 1 131 LYS 1.76 3.14 1 132 GLU -1.73 0.42 1 133 VAL -5.81 -2.77 1 134 ASP 1.10 -0.17 1 135 TYR -0.53 1.73 1 136 ARG -4.23 -1.24 1 137 SER -2.66 -1.09 1 138 ASP -3.59 0.24 1 139 ARG -1.87 0.09 1 140 ARG -0.24 0.37 1 141 GLU -5.48 -0.72 1 142 ASP -2.02 0.20 1 143 TYR -3.17 -0.23 1 144 TYR -1.64 0.65 1 145 ASP -3.34 -0.73 1 146 ILE -2.23 0.35 1 147 GLN -0.35 0.20 1 148 LEU -2.57 -1.60 1 149 SER 0.83 0.95 1 151 LYS 3.19 2.15 1 153 LYS -2.57 -1.37 1 154 LYS 0.72 1.89 1 155 ASN -4.10 -1.11 1 156 ILE 2.13 3.29 1 157 PHE 6.62 5.57 1 158 GLU 2.99 3.81 1 159 SER 6.06 6.17 1 160 PHE 7.49 6.75 1 161 VAL 5.49 5.34 1 162 ASP 1.77 3.47 1 163 TYR 3.57 4.54 1 164 VAL -0.13 -0.78 1 165 ALA 0.82 1.33 1 166 VAL -0.63 0.32 1 167 GLU -4.23 -1.23 1 168 GLN 0.39 0.22 1 169 LEU 2.27 -0.06 1 170 ASP -3.24 -1.41 1 172 ASP 1.96 2.06 1 173 ASN -1.38 -0.16 1 174 LYS 1.35 2.74 1 175 TYR -3.72 -0.61 1 176 ASP 1.43 0.35 1 177 ALA -1.33 -1.64 1 180 HIS -0.54 1.70 1 182 LEU 0.97 0.64 1 183 GLN -6.28 -1.20 1 184 GLU 1.15 1.50 1 185 ALA -6.10 -0.32 1 186 GLU -4.95 -1.16 1 187 LYS -6.25 -1.92 1 189 VAL -5.06 -1.65 1 190 LYS -5.70 -1.22 1 191 PHE 2.89 3.10 1 193 THR -4.43 -1.33 1 194 LEU -5.74 -1.97 1 198 LEU -5.16 -1.31 1 199 HIS -4.10 0.40 1 200 LEU -3.27 -2.21 1 201 GLN 1.06 0.76 1 202 LEU -0.51 -1.54 1 203 MET 2.51 0.87 1 204 ARG 0.35 1.99 1 205 PHE -0.74 -0.36 1 206 MET -3.86 -0.32 1 207 TYR 0.27 1.08 1 208 ASP -4.39 -1.55 1 210 GLN 3.97 3.64 1 211 THR -0.75 0.17 1 212 ASP 2.31 1.37 1 213 GLN -4.67 -0.91 1 214 ASN -0.13 0.93 1 215 ILE -4.07 -0.62 1 216 LYS -3.34 -0.96 1 217 ILE -0.47 -0.24 1 218 ASN -0.01 1.59 1 219 ASP 0.58 1.31 1 220 ARG 1.85 1.64 1 221 PHE -0.32 1.89 1 222 GLU -1.12 -0.27 1 223 PHE -5.87 -4.82 1 225 GLU 1.55 2.96 1 226 GLN -1.57 -0.11 1 229 LEU -2.21 -0.47 1 230 ASP 4.30 4.74 1 231 GLU 2.30 2.13 1 232 PHE 1.28 0.99 1 233 LEU -2.84 -0.86 1 234 GLN 3.20 3.63 1 235 LYS -2.72 -0.17 1 236 THR -0.99 0.11 1 237 ASP -3.83 -1.32 1 239 LYS 0.64 0.32 1 240 ASP -0.43 0.19 1 242 ALA -0.08 -1.50 1 243 ASN -1.61 -0.29 1 244 TYR -0.87 1.24 1 252 HIS -5.19 1.54 1 253 SER -3.21 -1.46 1 255 ASP -1.33 0.27 1 260 HIS -3.34 0.63 1 270 ASP -2.05 -1.22 1 272 LYS 2.11 -0.30 1 273 TRP -0.65 1.80 1 275 LYS -2.61 -0.25 1 276 PHE 1.24 0.26 1 277 ASP -2.57 -2.30 1 279 ASP 2.56 2.08 1 280 VAL 0.69 1.40 1 281 VAL -1.87 -1.12 1 282 SER -4.14 -1.50 1 283 ARG 2.07 1.68 1 285 THR -2.84 -0.44 1 286 LYS 4.97 4.08 1 287 GLU 4.65 3.69 1 288 GLU 1.64 1.94 1 289 ALA -0.06 1.14 1 290 ILE 3.03 1.81 1 291 GLU 3.59 3.03 1 292 HIS 1.57 3.16 1 293 ASN -0.55 1.05 1 294 TYR 0.74 -1.06 1 298 ASP -0.05 1.15 1 299 ASP 0.25 1.14 1 300 ASP 0.44 1.18 1 301 LEU 1.65 1.29 1 302 SER 0.60 1.37 1 303 VAL 1.12 1.37 1 304 ARG 1.75 1.51 1 308 ASN -3.62 -0.52 1 309 ALA -2.22 0.33 1 310 TYR -1.28 -0.02 1 317 GLU 4.51 4.93 1 318 SER 3.00 2.01 1 319 LYS -1.95 -1.93 1 320 LEU 4.40 5.66 1 321 SER 3.87 3.21 1 322 GLU 1.14 2.34 1 323 VAL 4.73 4.73 1 324 LEU 1.98 -1.29 1 325 GLN -0.73 0.77 1 326 ALA 1.17 1.37 1 327 VAL -1.43 -0.29 1 328 THR -4.09 -0.99 1 331 ASP 0.21 2.00 1 332 ILE 1.16 0.83 1 334 GLN 4.60 3.84 1 335 GLN 5.45 3.84 1 336 LEU 3.60 2.78 1 338 GLU 3.61 3.41 1 339 ARG 4.70 4.15 1 340 LEU 5.23 3.05 1 343 GLU 4.17 2.92 1 344 LYS 7.01 3.29 1 345 ARG 4.57 4.31 1 346 ILE 0.68 3.68 1 347 GLU 2.94 3.05 1 348 ALA 2.62 2.41 1 349 GLN 2.52 2.35 1 350 LYS 2.09 1.86 1 351 ARG 1.75 1.71 1 352 LYS 1.46 1.46 1 353 GLU 0.25 1.03 1 354 ARG 0.65 0.80 1 355 GLN 0.13 0.68 1 356 GLU 0.26 2.06 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26951_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.86 _LACS_plot.Line_1_terminator_val_y_1 6.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.36 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 -2.18 _LACS_plot.Y_axis_chem_shift_offset -0.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 316 ARG -9.86 11.37 0 12 LEU -4.72 3.75 1 24 LEU 3.33 -0.65 1 25 LEU 4.01 0.11 1 26 GLN 5.18 -1.57 1 27 THR 7.14 -0.83 1 28 LEU 2.32 0.93 1 29 PHE 5.23 -0.55 1 30 PHE 5.21 -1.94 1 31 THR 2.77 -3.38 1 32 ASN 7.14 -1.34 1 33 GLN 4.20 0.80 1 34 LEU 4.28 -1.33 1 35 ARG 4.73 -0.13 1 36 LYS 4.45 0.16 1 37 ALA 3.27 0.28 1 38 VAL 5.20 -0.49 1 39 TYR 2.43 -0.83 1 40 MET 0.22 0.24 1 41 MET 2.03 0.78 1 43 THR -0.98 0.22 1 44 GLU 4.48 -0.54 1 46 ASP 0.34 0.46 1 47 ASP -2.15 2.53 1 50 LYS -0.89 1.28 1 51 SER -0.39 -0.24 1 52 VAL 9.59 -2.30 1 54 LEU 2.08 0.24 1 55 ALA 3.29 -0.48 1 57 GLN 4.98 0.35 1 58 ARG 5.68 -0.82 1 59 VAL 1.33 3.54 1 60 PHE 3.81 -3.27 1 61 TYR 4.93 1.06 1 62 GLU 3.00 1.08 1 63 LEU 5.04 -1.70 1 64 GLN 2.43 -0.24 1 65 HIS 0.84 3.03 1 66 SER 0.12 1.14 1 67 ASP -0.28 0.40 1 68 LYS -1.76 1.47 1 70 VAL -0.61 2.40 1 73 LYS 4.05 -0.72 1 74 LYS 6.49 -2.50 1 75 LEU 3.99 -1.02 1 76 THR 6.23 -1.85 1 77 LYS 3.88 -0.79 1 79 PHE 0.36 -0.82 1 81 TRP -1.45 -0.45 1 82 GLU -1.74 2.76 1 83 THR -3.76 2.56 1 88 MET 2.91 -0.68 1 89 GLN 0.93 -0.25 1 90 HIS -4.11 4.27 1 91 ASP -3.44 2.69 1 94 GLU 2.57 0.74 1 95 LEU 4.59 -1.70 1 97 ARG 3.85 -0.22 1 98 VAL 5.05 -0.38 1 99 LEU 4.01 -0.20 1 100 LEU 5.51 -2.30 1 101 ASP 4.29 -0.18 1 102 ASN 2.72 1.98 1 103 VAL 5.35 -1.15 1 104 GLU 4.05 -0.43 1 105 ASN 4.17 0.23 1 106 LYS 0.32 -0.44 1 107 MET 1.86 0.00 1 108 LYS 4.12 -0.54 1 110 THR -4.93 4.19 1 112 VAL -0.02 -1.04 1 113 GLU 3.00 0.24 1 115 THR 1.79 0.92 1 118 LYS 4.57 -0.40 1 119 LEU 0.70 2.10 1 120 PHE -2.06 3.84 1 121 ARG -2.46 2.18 1 123 LYS -4.24 3.68 1 124 MET -5.25 5.00 1 125 VAL -5.28 3.40 1 126 SER -1.83 0.73 1 127 TYR -6.52 4.79 1 128 ILE -2.23 2.47 1 129 GLN -4.61 3.19 1 131 LYS 1.76 1.38 1 132 GLU -1.73 2.15 1 133 VAL -5.81 3.04 1 134 ASP 1.10 -1.27 1 135 TYR -0.53 2.26 1 136 ARG -4.23 2.99 1 137 SER -2.66 1.57 1 138 ASP -3.59 3.83 1 139 ARG -1.87 1.96 1 140 ARG -0.24 0.61 1 141 GLU -5.48 4.76 1 142 ASP -2.02 2.22 1 143 TYR -3.17 2.94 1 144 TYR -1.64 2.29 1 145 ASP -3.34 2.61 1 146 ILE -2.23 2.58 1 147 GLN -0.35 0.55 1 148 LEU -2.57 0.97 1 149 SER 0.83 0.12 1 151 LYS 3.19 -1.04 1 153 LYS -2.57 1.20 1 154 LYS 0.72 1.17 1 155 ASN -4.10 2.99 1 156 ILE 2.13 1.16 1 157 PHE 6.62 -1.05 1 158 GLU 2.99 0.82 1 159 SER 6.06 0.11 1 160 PHE 7.49 -0.74 1 161 VAL 5.49 -0.15 1 162 ASP 1.77 1.70 1 163 TYR 3.57 0.97 1 164 VAL -0.13 -0.65 1 165 ALA 0.82 0.51 1 166 VAL -0.63 0.95 1 167 GLU -4.23 3.00 1 168 GLN 0.39 -0.17 1 169 LEU 2.27 -2.33 1 170 ASP -3.24 1.83 1 172 ASP 1.96 0.10 1 173 ASN -1.38 1.22 1 174 LYS 1.35 1.39 1 175 TYR -3.72 3.11 1 176 ASP 1.43 -1.08 1 177 ALA -1.33 -0.31 1 180 HIS -0.54 2.24 1 182 LEU 0.97 -0.33 1 183 GLN -6.28 5.08 1 184 GLU 1.15 0.35 1 185 ALA -6.10 5.78 1 186 GLU -4.95 3.79 1 187 LYS -6.25 4.33 1 189 VAL -5.06 3.41 1 190 LYS -5.70 4.48 1 191 PHE 2.89 0.21 1 193 THR -4.43 3.10 1 194 LEU -5.74 3.77 1 198 LEU -5.16 3.85 1 199 HIS -4.10 4.50 1 200 LEU -3.27 1.06 1 201 GLN 1.06 -0.30 1 202 LEU -0.51 -1.03 1 203 MET 2.51 -1.64 1 204 ARG 0.35 1.64 1 205 PHE -0.74 0.38 1 206 MET -3.86 3.54 1 207 TYR 0.27 0.81 1 208 ASP -4.39 2.84 1 210 GLN 3.97 -0.33 1 211 THR -0.75 0.92 1 212 ASP 2.31 -0.94 1 213 GLN -4.67 3.76 1 214 ASN -0.13 1.06 1 215 ILE -4.07 3.45 1 216 LYS -3.34 2.38 1 217 ILE -0.47 0.23 1 218 ASN -0.01 1.60 1 219 ASP 0.58 0.73 1 220 ARG 1.85 -0.21 1 221 PHE -0.32 2.21 1 222 GLU -1.12 0.85 1 223 PHE -5.87 1.05 1 225 GLU 1.55 1.41 1 226 GLN -1.57 1.46 1 229 LEU -2.21 1.74 1 230 ASP 4.30 0.44 1 231 GLU 2.30 -0.17 1 232 PHE 1.28 -0.29 1 233 LEU -2.84 1.98 1 234 GLN 3.20 0.43 1 235 LYS -2.72 2.55 1 236 THR -0.99 1.10 1 237 ASP -3.83 2.51 1 239 LYS 0.64 -0.32 1 240 ASP -0.43 0.62 1 242 ALA -0.08 -1.42 1 243 ASN -1.61 1.32 1 244 TYR -0.87 2.11 1 252 HIS -5.19 6.73 1 253 SER -3.21 1.75 1 255 ASP -1.33 1.60 1 260 HIS -3.34 3.97 1 270 ASP -2.05 0.83 1 272 LYS 2.11 -2.41 1 273 TRP -0.65 2.45 1 275 LYS -2.61 2.36 1 276 PHE 1.24 -0.98 1 277 ASP -2.57 0.27 1 279 ASP 2.56 -0.48 1 280 VAL 0.69 0.71 1 281 VAL -1.87 0.75 1 282 SER -4.14 2.64 1 283 ARG 2.07 -0.39 1 285 THR -2.84 2.40 1 286 LYS 4.97 -0.89 1 287 GLU 4.65 -0.96 1 288 GLU 1.64 0.30 1 289 ALA -0.06 1.20 1 290 ILE 3.03 -1.22 1 291 GLU 3.59 -0.56 1 292 HIS 1.57 1.59 1 293 ASN -0.55 1.60 1 294 TYR 0.74 -1.80 1 298 ASP -0.05 1.20 1 299 ASP 0.25 0.89 1 300 ASP 0.44 0.74 1 301 LEU 1.65 -0.36 1 302 SER 0.60 0.77 1 303 VAL 1.12 0.25 1 304 ARG 1.75 -0.24 1 308 ASN -3.62 3.10 1 309 ALA -2.22 2.55 1 310 TYR -1.28 1.26 1 317 GLU 4.51 0.42 1 318 SER 3.00 -0.99 1 319 LYS -1.95 0.02 1 320 LEU 4.40 1.26 1 321 SER 3.87 -0.66 1 322 GLU 1.14 1.20 1 323 VAL 4.73 0.00 1 324 LEU 1.98 -3.27 1 325 GLN -0.73 1.50 1 326 ALA 1.17 0.20 1 327 VAL -1.43 1.14 1 328 THR -4.09 3.10 1 331 ASP 0.21 1.79 1 332 ILE 1.16 -0.33 1 334 GLN 4.60 -0.76 1 335 GLN 5.45 -1.61 1 336 LEU 3.60 -0.82 1 338 GLU 3.61 -0.20 1 339 ARG 4.70 -0.55 1 340 LEU 5.23 -2.18 1 343 GLU 4.17 -1.25 1 344 LYS 7.01 -3.72 1 345 ARG 4.57 -0.26 1 346 ILE 0.68 3.00 1 347 GLU 2.94 0.11 1 348 ALA 2.62 -0.21 1 349 GLN 2.52 -0.17 1 350 LYS 2.09 -0.23 1 351 ARG 1.75 -0.04 1 352 LYS 1.46 0.00 1 353 GLU 0.25 0.78 1 354 ARG 0.65 0.15 1 355 GLN 0.13 0.55 1 356 GLU 0.26 1.80 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26951_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.86 _LACS_plot.Line_1_terminator_val_y_1 -3.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.79 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 2.94 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 316 ARG -9.86 1.54 0 12 LEU -4.72 -2.32 1 24 LEU 3.33 0.57 1 25 LEU 4.01 1.52 1 26 GLN 5.18 1.82 1 27 THR 7.14 1.93 1 28 LEU 2.32 0.66 1 29 PHE 5.23 1.39 1 30 PHE 5.21 -1.36 1 31 THR 2.77 1.82 1 32 ASN 7.14 1.46 1 33 GLN 4.20 2.74 1 34 LEU 4.28 -0.88 1 35 ARG 4.73 0.28 1 36 LYS 4.45 1.29 1 37 ALA 3.27 2.00 1 38 VAL 5.20 3.62 1 39 TYR 2.43 -0.63 1 40 MET 0.22 0.26 1 41 MET 2.03 0.50 1 43 THR -0.98 1.29 1 44 GLU 4.48 0.71 1 46 ASP 0.34 -0.55 1 50 LYS -0.89 -0.51 1 51 SER -0.39 0.53 1 52 VAL 9.59 -0.21 1 54 LEU 2.08 0.46 1 55 ALA 3.29 3.46 1 57 GLN 4.98 1.98 1 58 ARG 5.68 1.47 1 59 VAL 1.33 1.50 1 60 PHE 3.81 0.49 1 61 TYR 4.93 4.41 1 62 GLU 3.00 2.45 1 63 LEU 5.04 1.33 1 64 GLN 2.43 -0.09 1 65 HIS 0.84 0.78 1 66 SER 0.12 -0.20 1 67 ASP -0.28 -0.66 1 68 LYS -1.76 -1.96 1 70 VAL -0.61 -0.36 1 73 LYS 4.05 2.51 1 74 LYS 6.49 2.58 1 75 LEU 3.99 0.72 1 76 THR 6.23 2.20 1 77 LYS 3.88 2.54 1 79 PHE 0.36 0.53 1 81 TRP -1.45 -1.55 1 82 GLU -1.74 0.02 1 83 THR -3.76 0.65 1 88 MET 2.91 1.05 1 89 GLN 0.93 -1.07 1 90 HIS -4.11 -1.62 1 91 ASP -3.44 0.29 1 94 GLU 2.57 2.78 1 95 LEU 4.59 -0.68 1 97 ARG 3.85 1.96 1 98 VAL 5.05 3.34 1 99 LEU 4.01 0.63 1 100 LEU 5.51 1.46 1 101 ASP 4.29 3.02 1 102 ASN 2.72 3.51 1 103 VAL 5.35 0.47 1 104 GLU 4.05 3.93 1 105 ASN 4.17 2.77 1 106 LYS 0.32 0.11 1 107 MET 1.86 1.04 1 108 LYS 4.12 0.86 1 110 THR -4.93 2.54 1 112 VAL -0.02 -0.74 1 113 GLU 3.00 0.28 1 118 LYS 4.57 2.02 1 119 LEU 0.70 -0.88 1 120 PHE -2.06 -1.97 1 121 ARG -2.46 0.85 1 123 LYS -4.24 -0.66 1 124 MET -5.25 -3.08 1 125 VAL -5.28 -2.98 1 126 SER -1.83 -0.34 1 127 TYR -6.52 -2.24 1 128 ILE -2.23 -1.43 1 129 GLN -4.61 0.26 1 131 LYS 1.76 1.46 1 132 GLU -1.73 -0.27 1 133 VAL -5.81 -1.57 1 134 ASP 1.10 -1.71 1 135 TYR -0.53 -3.23 1 136 ARG -4.23 -2.32 1 137 SER -2.66 -1.35 1 138 ASP -3.59 -1.28 1 139 ARG -1.87 -1.27 1 140 ARG -0.24 -0.35 1 141 GLU -5.48 -1.77 1 142 ASP -2.02 -0.13 1 143 TYR -3.17 -3.55 1 144 TYR -1.64 -1.22 1 145 ASP -3.34 -2.17 1 146 ILE -2.23 -2.17 1 147 GLN -0.35 -1.62 1 148 LEU -2.57 -1.86 1 149 SER 0.83 -0.06 1 151 LYS 3.19 1.41 1 153 LYS -2.57 -0.80 1 154 LYS 0.72 1.28 1 155 ASN -4.10 -0.09 1 156 ILE 2.13 -0.62 1 157 PHE 6.62 1.82 1 158 GLU 2.99 3.90 1 159 SER 6.06 2.75 1 160 PHE 7.49 1.71 1 161 VAL 5.49 2.48 1 162 ASP 1.77 1.64 1 163 TYR 3.57 2.62 1 164 VAL -0.13 -0.49 1 165 ALA 0.82 0.33 1 166 VAL -0.63 0.29 1 167 GLU -4.23 -1.08 1 168 GLN 0.39 -0.51 1 169 LEU 2.27 -3.39 1 170 ASP -3.24 -0.11 1 172 ASP 1.96 -0.51 1 173 ASN -1.38 -0.93 1 174 LYS 1.35 -1.75 1 175 TYR -3.72 -1.34 1 176 ASP 1.43 -3.06 1 177 ALA -1.33 -0.27 1 180 HIS -0.54 2.00 1 182 LEU 0.97 0.98 1 183 GLN -6.28 -0.46 1 184 GLU 1.15 1.35 1 185 ALA -6.10 -3.66 1 186 GLU -4.95 -2.77 1 187 LYS -6.25 -2.33 1 189 VAL -5.06 -0.19 1 190 LYS -5.70 -1.04 1 191 PHE 2.89 -0.76 1 193 THR -4.43 -1.21 1 194 LEU -5.74 -3.35 1 198 LEU -5.16 -2.37 1 199 HIS -4.10 -0.11 1 200 LEU -3.27 -1.63 1 201 GLN 1.06 -1.75 1 202 LEU -0.51 0.58 1 203 MET 2.51 -1.01 1 204 ARG 0.35 -1.33 1 205 PHE -0.74 -0.32 1 206 MET -3.86 -2.41 1 207 TYR 0.27 -1.46 1 208 ASP -4.39 -0.69 1 210 GLN 3.97 1.70 1 211 THR -0.75 0.04 1 212 ASP 2.31 -2.18 1 213 GLN -4.67 -1.79 1 214 ASN -0.13 -0.20 1 215 ILE -4.07 -1.94 1 216 LYS -3.34 -0.68 1 217 ILE -0.47 -0.15 1 218 ASN -0.01 -1.33 1 219 ASP 0.58 -1.50 1 220 ARG 1.85 -0.09 1 221 PHE -0.32 -2.30 1 222 GLU -1.12 -2.82 1 223 PHE -5.87 -2.78 1 225 GLU 1.55 -1.18 1 226 GLN -1.57 -2.37 1 229 LEU -2.21 -0.24 1 230 ASP 4.30 2.42 1 231 GLU 2.30 -0.27 1 232 PHE 1.28 -1.10 1 233 LEU -2.84 0.77 1 234 GLN 3.20 -0.17 1 235 LYS -2.72 -1.04 1 236 THR -0.99 -1.42 1 237 ASP -3.83 1.60 1 239 LYS 0.64 -0.20 1 240 ASP -0.43 -2.52 1 242 ALA -0.08 -2.85 1 243 ASN -1.61 -0.93 1 244 TYR -0.87 -1.01 1 252 HIS -5.19 -0.27 1 253 SER -3.21 -1.28 1 255 ASP -1.33 -0.66 1 260 HIS -3.34 -0.83 1 270 ASP -2.05 1.18 1 272 LYS 2.11 -0.91 1 273 TRP -0.65 1.04 1 275 LYS -2.61 -2.35 1 276 PHE 1.24 -0.94 1 277 ASP -2.57 -1.10 1 279 ASP 2.56 -1.19 1 280 VAL 0.69 -2.05 1 281 VAL -1.87 -0.46 1 282 SER -4.14 -0.73 1 283 ARG 2.07 -0.29 1 285 THR -2.84 0.89 1 286 LYS 4.97 0.90 1 287 GLU 4.65 0.20 1 288 GLU 1.64 -1.22 1 289 ALA -0.06 -0.76 1 290 ILE 3.03 -0.93 1 291 GLU 3.59 2.93 1 292 HIS 1.57 1.99 1 293 ASN -0.55 2.34 1 294 TYR 0.74 0.77 1 298 ASP -0.05 -0.40 1 299 ASP 0.25 -0.28 1 300 ASP 0.44 0.16 1 301 LEU 1.65 0.16 1 302 SER 0.60 0.61 1 303 VAL 1.12 0.19 1 304 ARG 1.75 0.63 1 308 ASN -3.62 -0.84 1 309 ALA -2.22 -1.61 1 317 GLU 4.51 2.47 1 318 SER 3.00 1.17 1 319 LYS -1.95 0.00 1 320 LEU 4.40 0.13 1 321 SER 3.87 0.90 1 322 GLU 1.14 2.24 1 323 VAL 4.73 0.67 1 324 LEU 1.98 -1.84 1 325 GLN -0.73 -1.63 1 326 ALA 1.17 -0.31 1 327 VAL -1.43 -0.39 1 328 THR -4.09 1.48 1 331 ASP 0.21 -1.86 1 332 ILE 1.16 -1.40 1 334 GLN 4.60 1.70 1 335 GLN 5.45 2.61 1 336 LEU 3.60 -0.25 1 338 GLU 3.61 2.71 1 339 ARG 4.70 3.17 1 340 LEU 5.23 2.94 1 343 GLU 4.17 2.65 1 344 LYS 7.01 1.67 1 345 ARG 4.57 3.00 1 346 ILE 0.68 2.61 1 347 GLU 2.94 2.02 1 348 ALA 2.62 1.70 1 349 GLN 2.52 1.45 1 350 LYS 2.09 0.99 1 351 ARG 1.75 0.63 1 352 LYS 1.46 0.48 1 353 GLU 0.25 -0.12 1 354 ARG 0.65 -0.44 1 355 GLN 0.13 -1.04 1 356 GLU 0.26 -1.63 1 stop_ save_