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 bmr25403_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.44 _LACS_plot.Line_1_terminator_val_y_1 -3.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.08 _LACS_plot.Line_2_terminator_val_x_2 9.05 _LACS_plot.Line_2_terminator_val_y_2 5.88 _LACS_plot.Y_axis_chem_shift_offset 0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 197 HIS -0.72 5.33 0 10 GLN 3.74 2.70 1 11 GLU -2.28 -2.11 1 12 HIS 1.89 3.14 1 13 LEU -3.38 -0.91 1 14 GLN -0.11 -1.57 1 15 LEU 4.21 2.78 1 16 GLN 5.40 3.57 1 17 ASN 3.26 1.21 1 18 LEU 0.18 -1.27 1 20 ILE -3.53 -4.99 1 23 ALA 2.80 1.17 1 24 ASN -0.42 -0.91 1 25 ILE 2.69 -0.78 1 29 THR -0.04 -0.10 1 30 LEU -0.23 0.04 1 31 THR -5.69 -3.49 1 32 MET -0.56 0.10 1 33 GLU 0.54 -0.14 1 34 SER -4.34 -3.36 1 35 ASP 0.97 -0.57 1 36 LYS 0.43 0.57 1 37 PHE -5.87 -2.22 1 38 ILE -2.33 -0.40 1 40 ILE -3.71 -1.12 1 41 ARG 0.71 -0.53 1 42 GLU -5.89 -2.05 1 43 LYS -0.18 -0.43 1 44 VAL -0.20 -1.14 1 46 GLU 0.36 -0.70 1 47 GLN -1.58 -1.20 1 48 ALA -0.90 -0.75 1 49 GLN -4.09 -1.59 1 50 VAL -2.75 -2.03 1 51 VAL -1.35 -2.01 1 52 ILE -1.76 -0.95 1 53 ILE -0.89 -1.67 1 54 ASP -1.66 -1.99 1 55 MET 2.41 -0.94 1 56 ASN 0.94 0.67 1 57 ASP 0.88 0.07 1 59 SER 1.77 0.82 1 60 ASN -1.34 -0.51 1 62 ILE -0.63 -0.66 1 63 ARG -1.71 -1.46 1 64 ARG -5.27 -3.39 1 66 ILE -3.65 -1.26 1 67 SER -0.45 -1.93 1 68 ALA -3.77 -1.62 1 69 ASP -0.30 0.28 1 70 SER 0.66 -0.80 1 71 ALA -4.20 -1.29 1 72 ILE -2.14 0.57 1 76 ALA -3.17 -0.05 1 77 SER -2.51 -1.58 1 78 LYS 2.86 -0.89 1 79 VAL -3.59 -1.69 1 80 ILE -7.30 -2.82 1 81 ALA -2.21 -2.82 1 82 LEU -5.04 -2.29 1 83 LYS -3.80 -2.35 1 84 ALA -1.04 -1.59 1 86 LYS 1.62 0.07 1 87 THR 1.80 1.17 1 88 LEU -3.32 -2.85 1 89 GLN -5.29 -1.14 1 90 ILE -0.04 -1.61 1 100 LYS -2.28 -0.39 1 101 ALA -4.63 -1.20 1 102 HIS -3.44 1.85 1 103 THR 0.51 -0.60 1 104 MET -1.88 -2.29 1 105 THR 3.82 2.21 1 106 ASP -3.68 -2.22 1 107 ASP 0.97 0.36 1 108 VAL 0.42 -0.98 1 109 THR 1.33 -0.28 1 110 PHE -1.96 0.09 1 111 TRP -4.44 -3.04 1 115 SER 3.89 2.36 1 116 LEU 1.51 0.46 1 117 ASN -2.56 -1.08 1 118 THR -0.85 0.77 1 120 ALA 3.58 1.66 1 123 THR -4.59 -3.43 1 124 ASP 3.69 2.80 1 125 ASN -1.92 -0.19 1 126 ALA -3.14 -0.49 1 130 TRP -6.27 -4.66 1 131 SER -1.01 -1.63 1 132 MET 0.34 0.38 1 133 GLU -1.66 -1.47 1 139 VAL -2.41 -1.76 1 140 LYS 4.07 1.28 1 141 MET 1.35 -1.78 1 142 PHE 0.31 -2.12 1 143 ASP -1.42 -1.12 1 144 ARG 0.80 0.49 1 146 SER 0.73 1.93 1 147 SER -2.68 -2.24 1 148 LEU 4.37 2.07 1 152 GLN 0.53 -1.06 1 153 ILE 2.59 -2.35 1 155 ASN -2.03 0.18 1 156 TYR -0.50 -0.61 1 157 ARG -5.40 -2.46 1 158 THR -4.31 -2.62 1 159 ASP -1.10 -1.50 1 160 ALA 4.11 2.64 1 161 LYS 1.02 -1.05 1 162 GLN 5.89 1.57 1 163 LYS -2.26 -1.66 1 170 ILE -6.11 -2.37 1 171 SER -2.30 -1.65 1 172 ALA -0.30 -1.24 1 173 GLN -1.38 -1.46 1 175 ASN 1.90 0.66 1 176 ARG -1.61 -1.42 1 177 VAL 2.21 -0.21 1 178 VAL -0.18 -0.61 1 180 ALA -2.81 -0.75 1 181 MET -4.77 -2.68 1 184 TYR -1.77 -1.37 1 185 SER -3.87 -4.76 1 186 VAL 3.56 2.22 1 187 ASP 3.78 2.29 1 188 ARG 0.58 -0.54 1 189 LYS 5.67 0.21 1 190 VAL -5.39 -2.93 1 191 SER -1.57 -0.44 1 192 GLN -4.59 -2.26 1 194 ILE -5.26 -1.76 1 195 GLU 0.29 -1.50 1 198 ALA -3.36 -1.41 1 199 ALA -6.35 -0.35 1 200 SER -1.63 -0.73 1 201 PHE -2.41 -0.49 1 202 ALA -5.30 -1.14 1 203 GLN -4.29 -2.58 1 204 PHE -4.38 -0.57 1 205 LYS -0.51 -2.04 1 206 MET -0.16 -0.07 1 207 GLU 1.39 -0.15 1 209 ASN -1.59 -2.69 1 210 ALA 0.78 0.62 1 211 GLU -5.68 -3.45 1 212 GLU 0.98 0.81 1 213 SER -0.18 -0.38 1 214 THR 1.38 0.69 1 219 ALA -8.44 -4.20 1 220 VAL -7.14 -3.38 1 221 ARG -1.78 -0.07 1 224 ALA 0.08 -1.34 1 227 LYS -0.78 1.72 1 228 LEU -0.41 -4.17 1 231 ILE -5.90 -2.72 1 232 GLU -1.89 -1.26 1 233 VAL -1.08 -2.95 1 235 THR 0.24 -0.06 1 238 THR 4.39 2.84 1 240 ASN -1.50 -1.80 1 241 GLN 0.45 -0.62 1 243 PHE 0.03 -0.03 1 245 LYS 1.34 0.48 1 246 LYS -3.93 -3.09 1 247 ALA -1.98 -1.21 1 248 VAL -5.25 -3.48 1 249 ASP 1.07 0.92 1 250 VAL -2.13 -2.12 1 251 PHE 0.67 0.36 1 252 PHE -2.05 -1.16 1 255 GLU 3.27 0.42 1 256 ALA -1.35 -2.82 1 257 GLN 4.47 2.91 1 258 ASN 0.43 -0.92 1 259 ASP -1.39 -0.97 1 260 PHE 3.69 -0.31 1 262 VAL -2.07 -1.55 1 263 ALA -5.02 -1.05 1 264 MET -5.51 -1.31 1 265 GLN -3.84 -2.46 1 266 ILE -1.60 -1.33 1 267 SER -2.29 -2.42 1 268 GLU 2.27 0.60 1 269 LYS 1.86 1.38 1 277 THR 0.06 -2.08 1 278 LYS 6.02 2.94 1 279 TYR 1.66 -0.91 1 281 TYR 1.39 -0.14 1 282 ILE -6.34 -4.41 1 286 ASP -1.39 -0.15 1 287 LEU 1.11 1.39 1 288 GLU 1.69 1.69 1 291 THR 3.71 2.99 1 293 ILE 0.58 0.58 1 294 TYR -3.63 0.02 1 295 MET -4.70 -1.31 1 296 ASN -3.03 -0.38 1 301 GLU -5.43 -3.07 1 302 THR 2.21 2.25 1 303 ILE 1.55 -0.47 1 304 PHE -1.91 -1.31 1 305 VAL -2.03 -1.57 1 306 THR -6.41 -2.35 1 307 ALA -0.98 -0.65 1 309 HIS -3.89 -1.98 1 310 GLU 4.62 3.16 1 311 ALA 3.26 1.71 1 313 ALA 2.02 0.65 1 315 ILE -5.59 -2.78 1 316 ILE -6.56 -4.00 1 318 VAL -2.48 -2.48 1 319 ASN -5.76 -3.83 1 320 ARG 3.52 2.15 1 321 LYS -0.30 -1.10 1 323 GLN 0.35 0.43 1 324 VAL 1.28 -1.15 1 325 LEU -4.70 -2.42 1 326 SER -4.44 -1.87 1 327 VAL -4.33 -2.44 1 329 VAL 2.98 1.32 1 330 GLU -0.78 -2.96 1 331 GLU 4.96 3.41 1 332 GLU 2.26 1.20 1 333 ASN -2.94 -1.26 1 334 ILE 9.05 6.53 1 337 TYR 5.31 4.50 1 338 ILE 5.28 3.98 1 339 THR 6.93 5.37 1 340 ASN 1.81 1.98 1 341 VAL 5.25 2.18 1 342 LEU 2.48 0.06 1 343 GLN 4.37 -0.16 1 344 ASN -1.64 -2.39 1 346 ASP 4.03 2.88 1 347 LEU 3.35 1.42 1 348 ALA 2.97 2.48 1 349 LEU 4.14 2.32 1 350 ARG 4.42 2.13 1 351 MET 5.03 4.00 1 352 ALA 4.08 2.64 1 353 VAL 3.63 2.13 1 354 ARG 2.34 2.53 1 355 ASN -0.23 0.02 1 356 ASN 3.23 0.98 1 357 LEU -2.13 -1.47 1 358 ALA -0.46 -0.65 1 360 ALA 0.01 -0.68 1 361 GLU 1.15 0.30 1 362 GLU -0.15 -0.78 1 363 LEU 1.27 1.05 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25403_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.44 _LACS_plot.Line_1_terminator_val_y_1 4.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.08 _LACS_plot.Line_2_terminator_val_x_2 9.05 _LACS_plot.Line_2_terminator_val_y_2 -3.17 _LACS_plot.Y_axis_chem_shift_offset 0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 197 HIS -0.72 6.05 0 10 GLN 3.74 -1.04 1 11 GLU -2.28 0.17 1 12 HIS 1.89 1.25 1 13 LEU -3.38 2.47 1 14 GLN -0.11 -1.46 1 15 LEU 4.21 -1.43 1 16 GLN 5.40 -1.83 1 17 ASN 3.26 -2.05 1 18 LEU 0.18 -1.45 1 20 ILE -3.53 -1.46 1 23 ALA 2.80 -1.63 1 24 ASN -0.42 -0.49 1 25 ILE 2.69 -3.47 1 29 THR -0.04 -0.06 1 30 LEU -0.23 0.27 1 31 THR -5.69 2.20 1 32 MET -0.56 0.66 1 33 GLU 0.54 -0.68 1 34 SER -4.34 0.98 1 35 ASP 0.97 -1.54 1 36 LYS 0.43 0.14 1 37 PHE -5.87 3.65 1 38 ILE -2.33 1.93 1 40 ILE -3.71 2.59 1 41 ARG 0.71 -1.24 1 42 GLU -5.89 3.84 1 43 LYS -0.18 -0.25 1 44 VAL -0.20 -0.94 1 46 GLU 0.36 -1.06 1 47 GLN -1.58 0.38 1 48 ALA -0.90 0.15 1 49 GLN -4.09 2.50 1 50 VAL -2.75 0.72 1 51 VAL -1.35 -0.66 1 52 ILE -1.76 0.81 1 53 ILE -0.89 -0.78 1 54 ASP -1.66 -0.33 1 55 MET 2.41 -3.35 1 56 ASN 0.94 -0.27 1 57 ASP 0.88 -0.81 1 59 SER 1.77 -0.95 1 60 ASN -1.34 0.83 1 62 ILE -0.63 -0.03 1 63 ARG -1.71 0.25 1 64 ARG -5.27 1.88 1 66 ILE -3.65 2.39 1 67 SER -0.45 -1.48 1 68 ALA -3.77 2.15 1 69 ASP -0.30 0.58 1 70 SER 0.66 -1.46 1 71 ALA -4.20 2.91 1 72 ILE -2.14 2.71 1 76 ALA -3.17 3.12 1 77 SER -2.51 0.93 1 78 LYS 2.86 -3.75 1 79 VAL -3.59 1.90 1 80 ILE -7.30 4.48 1 81 ALA -2.21 -0.61 1 82 LEU -5.04 2.75 1 83 LYS -3.80 1.45 1 84 ALA -1.04 -0.55 1 86 LYS 1.62 -1.55 1 87 THR 1.80 -0.63 1 88 LEU -3.32 0.47 1 89 GLN -5.29 4.15 1 90 ILE -0.04 -1.57 1 100 LYS -2.28 1.89 1 101 ALA -4.63 3.43 1 102 HIS -3.44 5.29 1 103 THR 0.51 -1.11 1 104 MET -1.88 -0.41 1 105 THR 3.82 -1.61 1 106 ASP -3.68 1.46 1 107 ASP 0.97 -0.61 1 108 VAL 0.42 -1.40 1 109 THR 1.33 -1.61 1 110 PHE -1.96 2.05 1 111 TRP -4.44 1.40 1 115 SER 3.89 -1.53 1 116 LEU 1.51 -1.05 1 117 ASN -2.56 1.48 1 118 THR -0.85 1.62 1 120 ALA 3.58 -1.92 1 123 THR -4.59 1.16 1 124 ASP 3.69 -0.89 1 125 ASN -1.92 1.73 1 126 ALA -3.14 2.65 1 130 TRP -6.27 1.61 1 131 SER -1.01 -0.62 1 132 MET 0.34 0.04 1 133 GLU -1.66 0.19 1 139 VAL -2.41 0.65 1 140 LYS 4.07 -2.79 1 141 MET 1.35 -3.13 1 142 PHE 0.31 -2.43 1 143 ASP -1.42 0.30 1 144 ARG 0.80 -0.31 1 146 SER 0.73 1.20 1 147 SER -2.68 0.44 1 148 LEU 4.37 -2.30 1 152 GLN 0.53 -1.59 1 153 ILE 2.59 -4.94 1 155 ASN -2.03 2.21 1 156 TYR -0.50 -0.11 1 157 ARG -5.40 2.94 1 158 THR -4.31 1.69 1 159 ASP -1.10 -0.40 1 160 ALA 4.11 -1.47 1 161 LYS 1.02 -2.07 1 162 GLN 5.89 -4.32 1 163 LYS -2.26 0.60 1 170 ILE -6.11 3.74 1 171 SER -2.30 0.65 1 172 ALA -0.30 -0.94 1 173 GLN -1.38 -0.08 1 175 ASN 1.90 -1.24 1 176 ARG -1.61 0.19 1 177 VAL 2.21 -2.42 1 178 VAL -0.18 -0.43 1 180 ALA -2.81 2.06 1 181 MET -4.77 2.09 1 184 TYR -1.77 0.40 1 185 SER -3.87 -0.89 1 186 VAL 3.56 -1.34 1 187 ASP 3.78 -1.49 1 188 ARG 0.58 -1.12 1 189 LYS 5.67 -5.46 1 190 VAL -5.39 2.46 1 191 SER -1.57 1.13 1 192 GLN -4.59 2.33 1 194 ILE -5.26 3.50 1 195 GLU 0.29 -1.79 1 198 ALA -3.36 1.95 1 199 ALA -6.35 6.00 1 200 SER -1.63 0.90 1 201 PHE -2.41 1.92 1 202 ALA -5.30 4.16 1 203 GLN -4.29 1.71 1 204 PHE -4.38 3.81 1 205 LYS -0.51 -1.53 1 206 MET -0.16 0.09 1 207 GLU 1.39 -1.54 1 209 ASN -1.59 -1.10 1 210 ALA 0.78 -0.16 1 211 GLU -5.68 2.23 1 212 GLU 0.98 -0.17 1 213 SER -0.18 -0.20 1 214 THR 1.38 -0.69 1 219 ALA -8.44 4.24 1 220 VAL -7.14 3.76 1 221 ARG -1.78 1.71 1 224 ALA 0.08 -1.42 1 227 LYS -0.78 2.50 1 228 LEU -0.41 -3.76 1 231 ILE -5.90 3.18 1 232 GLU -1.89 0.63 1 233 VAL -1.08 -1.87 1 235 THR 0.24 -0.30 1 238 THR 4.39 -1.55 1 240 ASN -1.50 -0.30 1 241 GLN 0.45 -1.07 1 243 PHE 0.03 -0.06 1 245 LYS 1.34 -0.86 1 246 LYS -3.93 0.84 1 247 ALA -1.98 0.77 1 248 VAL -5.25 1.77 1 249 ASP 1.07 -0.15 1 250 VAL -2.13 0.01 1 251 PHE 0.67 -0.31 1 252 PHE -2.05 0.89 1 255 GLU 3.27 -2.85 1 256 ALA -1.35 -1.47 1 257 GLN 4.47 -1.56 1 258 ASN 0.43 -1.35 1 259 ASP -1.39 0.42 1 260 PHE 3.69 -4.00 1 262 VAL -2.07 0.52 1 263 ALA -5.02 3.97 1 264 MET -5.51 4.20 1 265 GLN -3.84 1.38 1 266 ILE -1.60 0.27 1 267 SER -2.29 -0.13 1 268 GLU 2.27 -1.67 1 269 LYS 1.86 -0.48 1 277 THR 0.06 -2.14 1 278 LYS 6.02 -3.08 1 279 TYR 1.66 -2.57 1 281 TYR 1.39 -1.53 1 282 ILE -6.34 1.93 1 286 ASP -1.39 1.24 1 287 LEU 1.11 0.28 1 288 GLU 1.69 0.00 1 291 THR 3.71 -0.72 1 293 ILE 0.58 0.00 1 294 TYR -3.63 3.65 1 295 MET -4.70 3.39 1 296 ASN -3.03 2.65 1 301 GLU -5.43 2.36 1 302 THR 2.21 0.04 1 303 ILE 1.55 -2.02 1 304 PHE -1.91 0.60 1 305 VAL -2.03 0.46 1 306 THR -6.41 4.06 1 307 ALA -0.98 0.33 1 309 HIS -3.89 1.91 1 310 GLU 4.62 -1.46 1 311 ALA 3.26 -1.55 1 313 ALA 2.02 -1.37 1 315 ILE -5.59 2.81 1 316 ILE -6.56 2.56 1 318 VAL -2.48 0.00 1 319 ASN -5.76 1.93 1 320 ARG 3.52 -1.37 1 321 LYS -0.30 -0.80 1 323 GLN 0.35 0.08 1 324 VAL 1.28 -2.43 1 325 LEU -4.70 2.28 1 326 SER -4.44 2.57 1 327 VAL -4.33 1.89 1 329 VAL 2.98 -1.66 1 330 GLU -0.78 -2.18 1 331 GLU 4.96 -1.55 1 332 GLU 2.26 -1.06 1 333 ASN -2.94 1.68 1 334 ILE 9.05 -2.52 1 337 TYR 5.31 -0.81 1 338 ILE 5.28 -1.30 1 339 THR 6.93 -1.56 1 340 ASN 1.81 0.17 1 341 VAL 5.25 -3.07 1 342 LEU 2.48 -2.42 1 343 GLN 4.37 -4.53 1 344 ASN -1.64 -0.75 1 346 ASP 4.03 -1.15 1 347 LEU 3.35 -1.93 1 348 ALA 2.97 -0.49 1 349 LEU 4.14 -1.82 1 350 ARG 4.42 -2.29 1 351 MET 5.03 -1.03 1 352 ALA 4.08 -1.44 1 353 VAL 3.63 -1.50 1 354 ARG 2.34 0.19 1 355 ASN -0.23 0.25 1 356 ASN 3.23 -2.25 1 357 LEU -2.13 0.66 1 358 ALA -0.46 -0.19 1 360 ALA 0.01 -0.69 1 361 GLU 1.15 -0.85 1 362 GLU -0.15 -0.63 1 363 LEU 1.27 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25403_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.44 _LACS_plot.Line_1_terminator_val_y_1 -3.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 9.05 _LACS_plot.Line_2_terminator_val_y_2 1.64 _LACS_plot.Y_axis_chem_shift_offset 0.75 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 319 ASN -5.76 4.19 0 10 GLN 3.74 1.04 1 11 GLU -2.28 -0.53 1 12 HIS 1.89 1.02 1 13 LEU -3.38 -3.75 1 14 GLN -0.11 1.00 1 15 LEU 4.21 1.87 1 16 GLN 5.40 3.52 1 17 ASN 3.26 0.80 1 18 LEU 0.18 -0.76 1 20 ILE -3.53 -1.61 1 23 ALA 2.80 0.86 1 24 ASN -0.42 0.51 1 25 ILE 2.69 -3.94 1 29 THR -0.04 -1.83 1 30 LEU -0.23 -3.28 1 31 THR -5.69 -2.17 1 32 MET -0.56 -3.17 1 34 SER -4.34 -4.17 1 35 ASP 0.97 -0.15 1 36 LYS 0.43 1.03 1 37 PHE -5.87 -0.19 1 38 ILE -2.33 -2.53 1 40 ILE -3.71 -1.46 1 41 ARG 0.71 -1.08 1 42 GLU -5.89 -1.75 1 43 LYS -0.18 -1.13 1 44 VAL -0.20 0.30 1 46 GLU 0.36 -0.65 1 47 GLN -1.58 -1.71 1 48 ALA -0.90 -1.15 1 49 GLN -4.09 -0.70 1 50 VAL -2.75 -2.71 1 51 VAL -1.35 -1.51 1 52 ILE -1.76 -1.59 1 53 ILE -0.89 -1.38 1 54 ASP -1.66 2.02 1 55 MET 2.41 1.14 1 56 ASN 0.94 0.19 1 57 ASP 0.88 -0.69 1 59 SER 1.77 -0.94 1 60 ASN -1.34 -1.77 1 62 ILE -0.63 -1.60 1 63 ARG -1.71 0.43 1 64 ARG -5.27 -0.33 1 66 ILE -3.65 -2.71 1 67 SER -0.45 -1.78 1 68 ALA -3.77 -2.31 1 69 ASP -0.30 -0.23 1 70 SER 0.66 -2.17 1 71 ALA -4.20 -2.43 1 72 ILE -2.14 1.34 1 76 ALA -3.17 -2.06 1 77 SER -2.51 -1.28 1 78 LYS 2.86 -1.82 1 79 VAL -3.59 -4.28 1 81 ALA -2.21 -2.54 1 82 LEU -5.04 -2.16 1 83 LYS -3.80 -2.69 1 84 ALA -1.04 -1.07 1 87 THR 1.80 -2.22 1 88 LEU -3.32 -1.05 1 89 GLN -5.29 -2.12 1 90 ILE -0.04 -1.12 1 100 LYS -2.28 -2.82 1 101 ALA -4.63 -1.70 1 102 HIS -3.44 -0.99 1 103 THR 0.51 -1.59 1 104 MET -1.88 0.14 1 105 THR 3.82 -0.78 1 106 ASP -3.68 -2.80 1 107 ASP 0.97 -0.09 1 108 VAL 0.42 -0.85 1 109 THR 1.33 0.20 1 110 PHE -1.96 -4.38 1 111 TRP -4.44 -3.52 1 116 LEU 1.51 0.20 1 117 ASN -2.56 -0.32 1 118 THR -0.85 -3.47 1 120 ALA 3.58 1.65 1 123 THR -4.59 0.17 1 124 ASP 3.69 -0.09 1 126 ALA -3.14 -5.52 1 130 TRP -6.27 -2.73 1 131 SER -1.01 0.70 1 132 MET 0.34 -2.03 1 133 GLU -1.66 1.23 1 139 VAL -2.41 -0.93 1 140 LYS 4.07 -1.04 1 141 MET 1.35 -0.62 1 142 PHE 0.31 -3.18 1 143 ASP -1.42 1.02 1 144 ARG 0.80 -0.56 1 147 SER -2.68 -1.60 1 148 LEU 4.37 -0.48 1 152 GLN 0.53 -0.52 1 153 ILE 2.59 -0.69 1 155 ASN -2.03 -3.30 1 156 TYR -0.50 -2.23 1 157 ARG -5.40 -3.41 1 158 THR -4.31 -0.69 1 159 ASP -1.10 1.66 1 160 ALA 4.11 1.81 1 161 LYS 1.02 -1.73 1 162 GLN 5.89 -2.21 1 163 LYS -2.26 -0.18 1 170 ILE -6.11 -0.78 1 171 SER -2.30 -1.74 1 172 ALA -0.30 -0.95 1 173 GLN -1.38 -0.55 1 175 ASN 1.90 -1.13 1 176 ARG -1.61 -1.99 1 177 VAL 2.21 0.09 1 178 VAL -0.18 -0.78 1 180 ALA -2.81 -3.65 1 181 MET -4.77 -0.05 1 184 TYR -1.77 -2.48 1 185 SER -3.87 -0.69 1 186 VAL 3.56 1.54 1 188 ARG 0.58 -0.74 1 189 LYS 5.67 -0.88 1 190 VAL -5.39 -1.27 1 191 SER -1.57 -1.76 1 192 GLN -4.59 -1.07 1 194 ILE -5.26 -2.55 1 195 GLU 0.29 -2.58 1 197 HIS -0.72 1.00 1 198 ALA -3.36 -3.00 1 199 ALA -6.35 -1.54 1 200 SER -1.63 -2.93 1 202 ALA -5.30 -2.46 1 203 GLN -4.29 -0.25 1 204 PHE -4.38 -2.96 1 205 LYS -0.51 -2.60 1 206 MET -0.16 0.47 1 207 GLU 1.39 1.06 1 209 ASN -1.59 0.18 1 210 ALA 0.78 0.26 1 211 GLU -5.68 0.85 1 212 GLU 0.98 -0.75 1 213 SER -0.18 -1.72 1 219 ALA -8.44 -1.63 1 220 VAL -7.14 -3.63 1 221 ARG -1.78 -1.41 1 227 LYS -0.78 -1.32 1 228 LEU -0.41 -2.07 1 232 GLU -1.89 0.39 1 233 VAL -1.08 -0.82 1 238 THR 4.39 0.58 1 240 ASN -1.50 1.12 1 241 GLN 0.45 0.17 1 243 PHE 0.03 -0.12 1 245 LYS 1.34 0.16 1 246 LYS -3.93 -0.62 1 247 ALA -1.98 -1.69 1 248 VAL -5.25 -1.71 1 249 ASP 1.07 -0.71 1 250 VAL -2.13 -1.97 1 251 PHE 0.67 -2.17 1 252 PHE -2.05 -2.68 1 255 GLU 3.27 -0.19 1 256 ALA -1.35 -0.16 1 257 GLN 4.47 0.10 1 258 ASN 0.43 -0.98 1 259 ASP -1.39 -1.01 1 260 PHE 3.69 -3.08 1 262 VAL -2.07 -1.21 1 263 ALA -5.02 -3.24 1 264 MET -5.51 -2.42 1 265 GLN -3.84 -2.54 1 266 ILE -1.60 -0.03 1 267 SER -2.29 1.93 1 268 GLU 2.27 -0.45 1 269 LYS 1.86 0.81 1 277 THR 0.06 0.59 1 278 LYS 6.02 0.90 1 279 TYR 1.66 -0.47 1 281 TYR 1.39 -1.29 1 282 ILE -6.34 -1.63 1 286 ASP -1.39 -0.31 1 288 GLU 1.69 0.13 1 291 THR 3.71 -0.62 1 293 ILE 0.58 -2.18 1 294 TYR -3.63 -3.59 1 295 MET -4.70 -2.16 1 296 ASN -3.03 -2.00 1 301 GLU -5.43 0.30 1 302 THR 2.21 -0.30 1 303 ILE 1.55 -1.37 1 304 PHE -1.91 -1.92 1 305 VAL -2.03 -3.63 1 306 THR -6.41 -2.56 1 307 ALA -0.98 -2.33 1 309 HIS -3.89 1.60 1 310 GLU 4.62 3.18 1 311 ALA 3.26 1.07 1 313 ALA 2.02 -0.89 1 316 ILE -6.56 -3.79 1 318 VAL -2.48 -1.60 1 320 ARG 3.52 -0.54 1 321 LYS -0.30 0.79 1 323 GLN 0.35 -1.55 1 324 VAL 1.28 -1.16 1 325 LEU -4.70 -3.39 1 326 SER -4.44 -1.63 1 327 VAL -4.33 -2.96 1 329 VAL 2.98 -1.47 1 330 GLU -0.78 -0.65 1 331 GLU 4.96 1.69 1 332 GLU 2.26 -0.27 1 333 ASN -2.94 1.86 1 334 ILE 9.05 -0.52 1 337 TYR 5.31 2.13 1 338 ILE 5.28 1.10 1 339 THR 6.93 0.79 1 340 ASN 1.81 0.65 1 341 VAL 5.25 1.27 1 342 LEU 2.48 -0.75 1 343 GLN 4.37 -1.63 1 344 ASN -1.64 -1.71 1 346 ASP 4.03 2.32 1 347 LEU 3.35 -0.04 1 348 ALA 2.97 0.82 1 349 LEU 4.14 1.19 1 350 ARG 4.42 2.43 1 351 MET 5.03 1.38 1 352 ALA 4.08 2.46 1 353 VAL 3.63 2.47 1 354 ARG 2.34 1.32 1 355 ASN -0.23 -1.46 1 356 ASN 3.23 -0.70 1 357 LEU -2.13 -1.09 1 358 ALA -0.46 -0.07 1 360 ALA 0.01 -0.28 1 361 GLU 1.15 -0.15 1 362 GLU -0.15 -1.22 1 363 LEU 1.27 4.72 1 stop_ save_