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 bmr25532_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 -3.48 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.09 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 4.63 _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 33 HIS 4.83 7.41 0 12 GLU 2.42 2.39 1 13 LEU 4.77 2.14 1 14 ASP 3.22 2.40 1 15 ARG 4.33 3.00 1 16 TRP 1.15 2.01 1 17 GLU 0.52 -0.38 1 18 LYS -0.34 -0.49 1 19 ILE 2.53 1.24 1 20 ARG 0.34 -0.32 1 21 LEU 4.54 2.71 1 22 ARG -2.29 -1.80 1 26 LYS 0.70 0.53 1 27 LYS 0.96 0.40 1 28 LYS -4.09 -1.74 1 29 TYR 5.16 2.60 1 30 LYS -7.12 -2.75 1 31 LEU 5.86 3.63 1 32 LYS 5.14 2.45 1 34 ILE 5.07 2.39 1 35 VAL 5.76 4.02 1 36 TRP 5.89 3.80 1 37 ALA 4.77 1.94 1 39 ARG 4.04 1.98 1 40 GLU 2.30 1.12 1 41 LEU 5.97 2.61 1 42 GLU 4.07 2.56 1 43 ARG 4.68 2.17 1 44 PHE 0.86 -0.62 1 45 ALA 3.96 0.18 1 46 VAL -1.64 -1.90 1 47 ASN -0.39 -0.72 1 50 LEU 3.36 1.48 1 51 LEU 1.20 0.53 1 52 GLU 1.02 1.19 1 53 THR -6.91 -4.08 1 54 SER 6.11 3.67 1 55 GLU 4.53 2.40 1 58 ARG 7.26 3.35 1 59 GLN 5.20 2.79 1 60 ILE 6.60 4.40 1 61 LEU 5.95 2.95 1 63 GLN 3.15 1.80 1 64 LEU -0.05 0.45 1 65 GLN 1.23 0.70 1 67 SER 3.96 2.35 1 68 LEU 4.23 2.21 1 69 GLN 0.05 -0.82 1 70 THR -1.84 -1.44 1 72 SER 3.76 2.14 1 73 GLU 4.85 3.23 1 74 GLU 4.58 2.18 1 75 LEU 5.92 3.13 1 76 ARG 5.06 3.61 1 78 LEU 4.74 4.42 1 79 TYR 4.00 2.07 1 80 ASN 7.23 5.59 1 81 THR 7.23 4.36 1 82 VAL 4.66 2.51 1 83 ALA 3.74 2.27 1 85 LEU 6.02 4.19 1 86 TYR 5.96 3.70 1 88 VAL 2.30 1.89 1 89 HIS -1.64 -0.91 1 90 GLN 6.25 0.77 1 91 ARG 0.21 -0.67 1 92 ILE 2.04 -0.09 1 93 GLU -5.65 -2.28 1 94 ILE -0.22 -0.11 1 95 LYS -4.18 -1.58 1 96 ASP 2.99 2.94 1 97 THR 1.81 -0.88 1 98 LYS 3.93 2.75 1 99 GLU 3.38 2.35 1 100 ALA 4.38 2.22 1 101 LEU 4.57 2.63 1 102 ASP 4.20 1.17 1 103 LYS 5.23 2.81 1 104 ILE 3.90 2.27 1 105 GLU 3.17 2.05 1 106 GLU 3.35 2.17 1 107 GLU 3.68 1.77 1 108 GLN 2.37 1.24 1 109 ASN 3.39 1.65 1 110 LYS 2.07 0.92 1 111 SER 2.20 0.63 1 112 LYS 2.02 0.45 1 113 LYS 1.74 0.28 1 114 LYS 1.11 0.02 1 115 ALA 1.29 0.17 1 116 GLN 0.95 -0.04 1 117 GLN 0.61 -0.36 1 118 ALA 0.51 -0.46 1 119 ALA 0.51 -0.46 1 120 ALA 0.28 -0.43 1 121 ASP 0.66 -0.16 1 122 THR 0.14 -0.58 1 125 SER 0.71 -0.16 1 126 ASN 0.72 -0.18 1 127 GLN 0.67 -0.21 1 128 VAL 0.31 -0.45 1 129 SER 0.55 -0.46 1 130 GLN 0.08 -0.51 1 131 ASN -1.02 -2.57 1 132 TYR 0.41 -0.68 1 135 VAL -0.16 -0.56 1 136 GLN 0.30 -0.45 1 137 ASN 1.16 -0.22 1 138 ILE 1.37 0.08 1 139 GLN 0.24 -0.56 1 141 GLN 0.86 -0.29 1 142 MET 0.21 -0.46 1 143 VAL -0.52 -1.14 1 145 GLN -0.67 -0.97 1 146 ALA 0.89 -0.18 1 147 ILE -1.90 -2.46 1 148 SER 4.49 2.57 1 152 LEU 6.23 4.27 1 156 VAL 2.72 1.57 1 167 GLU 2.95 1.53 1 174 ALA -0.69 -0.49 1 179 ALA 0.43 -0.33 1 180 THR 5.42 4.10 1 182 GLN 5.59 2.59 1 184 LEU 5.03 2.95 1 185 ASN 5.08 2.52 1 188 LEU 2.83 1.49 1 189 ASN 2.19 1.62 1 190 THR 2.61 0.61 1 191 VAL 0.45 0.28 1 194 HIS 6.29 4.42 1 195 GLN 4.40 2.13 1 196 ALA 3.53 1.84 1 197 ALA 3.88 0.71 1 198 MET 5.30 2.82 1 199 GLN 4.16 3.02 1 200 MET 4.93 3.39 1 201 LEU 6.06 4.36 1 205 ILE 4.36 2.45 1 206 ASN 3.87 2.31 1 207 GLU 4.34 1.91 1 209 ALA 5.14 3.71 1 211 GLU 0.56 -0.53 1 218 VAL 0.13 0.30 1 219 HIS -0.06 -0.76 1 220 ALA -0.56 -1.52 1 223 ILE 0.70 -0.51 1 224 ALA -1.13 -1.54 1 227 GLN -1.35 -1.03 1 228 MET 0.60 -1.20 1 229 ARG 0.04 -0.29 1 230 GLU -2.46 -3.54 1 232 ARG 4.54 2.10 1 234 SER 2.59 2.22 1 235 ASP 6.84 3.82 1 236 ILE -1.09 -2.53 1 237 ALA 3.19 1.61 1 239 THR -0.55 -1.42 1 240 THR -6.92 -4.54 1 241 SER -3.97 -2.93 1 242 THR 4.47 2.41 1 243 LEU 5.92 3.34 1 244 GLN 3.30 1.77 1 245 GLU 5.97 3.52 1 246 GLN 4.37 2.43 1 247 ILE 7.22 4.53 1 249 TRP 2.34 3.50 1 250 MET -1.16 -1.30 1 251 THR -0.25 -0.16 1 252 ASN 0.46 -0.05 1 256 ILE 5.89 3.17 1 258 VAL 5.31 3.72 1 261 ILE 5.59 3.66 1 263 LYS 6.02 3.50 1 264 ARG 2.15 1.02 1 265 TRP 5.49 3.82 1 266 ILE 5.24 3.29 1 268 LEU 3.72 3.40 1 271 ASN 4.80 3.39 1 272 LYS 2.98 -0.28 1 287 GLN -2.99 -1.16 1 291 GLU 6.30 4.62 1 293 PHE 5.28 3.16 1 294 ARG 3.96 2.38 1 295 ASP -0.02 -1.19 1 326 ALA 3.60 -0.33 1 327 ASN 3.35 2.53 1 329 ASP 7.29 4.65 1 331 LYS 4.20 2.77 1 333 ILE 3.40 2.01 1 334 LEU 4.50 2.11 1 335 LYS 2.01 0.41 1 336 ALA 1.33 0.58 1 337 LEU 0.41 -1.41 1 340 ALA -0.36 -0.48 1 341 ALA -3.24 -2.07 1 342 THR 4.67 2.53 1 343 LEU 4.84 3.13 1 344 GLU 3.52 2.32 1 345 GLU 4.90 4.17 1 346 MET 4.56 3.44 1 347 MET 5.67 4.06 1 348 THR 2.93 1.94 1 349 ALA 3.80 2.11 1 351 GLN 2.45 0.64 1 353 VAL 1.52 0.12 1 359 LYS 0.90 -0.07 1 360 ALA 1.79 0.32 1 361 ARG 1.84 0.39 1 362 VAL 1.45 0.01 1 363 LEU 1.36 0.15 1 364 ALA -2.85 -1.17 1 365 GLU 0.99 -0.11 1 366 ALA 5.34 1.33 1 367 MET 0.83 -0.18 1 369 GLN 1.43 0.00 1 370 VAL 0.49 -0.21 1 371 THR 0.44 -0.20 1 372 ASN 1.12 0.25 1 373 SER 1.29 0.28 1 374 ALA 1.63 0.65 1 375 THR 1.89 0.39 1 376 ILE 1.72 0.18 1 377 MET 1.19 0.10 1 378 MET 1.16 -0.06 1 380 ARG 0.84 -0.33 1 387 ARG 0.71 -0.58 1 388 LYS 0.11 -1.05 1 389 ILE -0.13 -0.97 1 390 VAL -3.12 -1.92 1 391 LYS 2.74 1.01 1 393 PHE 2.67 3.15 1 394 ASN -0.13 -0.52 1 397 LYS -1.24 -1.18 1 398 GLU -0.69 -0.24 1 400 HIS -4.42 -2.93 1 401 THR 4.04 2.73 1 402 ALA 3.94 1.88 1 403 ARG -1.73 -1.47 1 404 ASN 0.64 -1.09 1 406 ARG 0.96 -0.02 1 407 ALA 1.12 -0.40 1 409 ARG 0.64 -0.42 1 410 LYS 0.37 -0.42 1 411 LYS 1.49 0.67 1 414 TRP 2.88 2.27 1 415 LYS 0.35 -0.16 1 418 LYS -0.33 -0.34 1 419 GLU -0.78 -0.09 1 421 HIS -3.06 -2.06 1 422 GLN 5.25 4.15 1 423 MET 4.64 1.92 1 424 LYS -1.83 -1.04 1 425 ASP 0.56 -0.50 1 427 THR 0.81 -0.22 1 428 GLU 0.56 -0.51 1 429 ARG 0.26 -0.53 1 430 GLN 0.04 -0.59 1 431 ALA 0.31 1.19 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25532_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 3.64 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.09 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 -2.66 _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 33 HIS 4.83 2.58 0 12 GLU 2.42 -0.03 1 13 LEU 4.77 -2.63 1 14 ASP 3.22 -0.82 1 15 ARG 4.33 -1.33 1 16 TRP 1.15 0.86 1 17 GLU 0.52 -0.90 1 18 LYS -0.34 -0.15 1 19 ILE 2.53 -1.29 1 20 ARG 0.34 -0.66 1 21 LEU 4.54 -1.83 1 22 ARG -2.29 0.49 1 26 LYS 0.70 -0.17 1 27 LYS 0.96 -0.56 1 28 LYS -4.09 2.35 1 29 TYR 5.16 -2.56 1 30 LYS -7.12 4.37 1 31 LEU 5.86 -2.23 1 32 LYS 5.14 -2.69 1 34 ILE 5.07 -2.68 1 35 VAL 5.76 -1.74 1 36 TRP 5.89 -2.09 1 37 ALA 4.77 -2.83 1 39 ARG 4.04 -2.06 1 40 GLU 2.30 -1.18 1 41 LEU 5.97 -3.36 1 42 GLU 4.07 -1.51 1 43 ARG 4.68 -2.51 1 44 PHE 0.86 -1.48 1 45 ALA 3.96 -3.78 1 46 VAL -1.64 -0.26 1 47 ASN -0.39 -0.33 1 50 LEU 3.36 -1.88 1 51 LEU 1.20 -0.67 1 52 GLU 1.02 0.17 1 53 THR -6.91 2.83 1 54 SER 6.11 -2.44 1 55 GLU 4.53 -2.13 1 58 ARG 7.26 -3.91 1 59 GLN 5.20 -2.41 1 60 ILE 6.60 -2.20 1 61 LEU 5.95 -3.00 1 63 GLN 3.15 -1.35 1 64 LEU -0.05 0.50 1 65 GLN 1.23 -0.53 1 67 SER 3.96 -1.61 1 68 LEU 4.23 -2.02 1 69 GLN 0.05 -0.87 1 70 THR -1.84 0.40 1 72 SER 3.76 -1.62 1 73 GLU 4.85 -1.62 1 74 GLU 4.58 -2.40 1 75 LEU 5.92 -2.79 1 76 ARG 5.06 -1.45 1 78 LEU 4.74 -0.32 1 79 TYR 4.00 -1.93 1 80 ASN 7.23 -1.64 1 81 THR 7.23 -2.87 1 82 VAL 4.66 -2.15 1 83 ALA 3.74 -1.47 1 85 LEU 6.02 -1.83 1 86 TYR 5.96 -2.26 1 88 VAL 2.30 -0.41 1 89 HIS -1.64 0.73 1 90 GLN 6.25 -5.48 1 91 ARG 0.21 -0.88 1 92 ILE 2.04 -2.13 1 93 GLU -5.65 3.37 1 94 ILE -0.22 0.11 1 95 LYS -4.18 2.60 1 96 ASP 2.99 -0.05 1 97 THR 1.81 -2.69 1 98 LYS 3.93 -1.18 1 99 GLU 3.38 -1.03 1 100 ALA 4.38 -2.16 1 101 LEU 4.57 -1.94 1 102 ASP 4.20 -3.03 1 103 LYS 5.23 -2.42 1 104 ILE 3.90 -1.63 1 105 GLU 3.17 -1.12 1 106 GLU 3.35 -1.18 1 107 GLU 3.68 -1.91 1 108 GLN 2.37 -1.13 1 109 ASN 3.39 -1.74 1 110 LYS 2.07 -1.15 1 111 SER 2.20 -1.57 1 112 LYS 2.02 -1.57 1 113 LYS 1.74 -1.46 1 114 LYS 1.11 -1.09 1 115 ALA 1.29 -1.12 1 116 GLN 0.95 -0.99 1 117 GLN 0.61 -0.97 1 118 ALA 0.51 -0.97 1 119 ALA 0.51 -0.97 1 120 ALA 0.28 -0.71 1 121 ASP 0.66 -0.82 1 122 THR 0.14 -0.72 1 125 SER 0.71 -0.87 1 126 ASN 0.72 -0.90 1 127 GLN 0.67 -0.88 1 128 VAL 0.31 -0.76 1 129 SER 0.55 -1.01 1 130 GLN 0.08 -0.59 1 131 ASN -1.02 -1.55 1 132 TYR 0.41 -1.09 1 135 VAL -0.16 -0.40 1 136 GLN 0.30 -0.75 1 137 ASN 1.16 -1.38 1 138 ILE 1.37 -1.29 1 139 GLN 0.24 -0.80 1 141 GLN 0.86 -1.15 1 142 MET 0.21 -0.67 1 143 VAL -0.52 -0.62 1 145 GLN -0.67 -0.30 1 146 ALA 0.89 -1.07 1 147 ILE -1.90 -0.56 1 148 SER 4.49 -1.92 1 152 LEU 6.23 -1.96 1 156 VAL 2.72 -1.15 1 167 GLU 2.95 -1.42 1 174 ALA -0.69 0.20 1 179 ALA 0.43 -0.76 1 180 THR 5.42 -1.32 1 182 GLN 5.59 -3.00 1 184 LEU 5.03 -2.08 1 185 ASN 5.08 -2.56 1 188 LEU 2.83 -1.34 1 189 ASN 2.19 -0.57 1 190 THR 2.61 -2.00 1 191 VAL 0.45 -0.17 1 194 HIS 6.29 -1.87 1 195 GLN 4.40 -2.27 1 196 ALA 3.53 -1.69 1 197 ALA 3.88 -3.17 1 198 MET 5.30 -2.48 1 199 GLN 4.16 -1.14 1 200 MET 4.93 -1.54 1 201 LEU 6.06 -1.70 1 205 ILE 4.36 -1.91 1 206 ASN 3.87 -1.56 1 207 GLU 4.34 -2.43 1 209 ALA 5.14 -1.43 1 211 GLU 0.56 -1.09 1 218 VAL 0.13 0.17 1 219 HIS -0.06 -0.70 1 220 ALA -0.56 -0.96 1 223 ILE 0.70 -1.21 1 224 ALA -1.13 -0.41 1 227 GLN -1.35 0.32 1 228 MET 0.60 -1.80 1 229 ARG 0.04 -0.33 1 230 GLU -2.46 -1.08 1 232 ARG 4.54 -2.44 1 234 SER 2.59 -0.37 1 235 ASP 6.84 -3.02 1 236 ILE -1.09 -1.44 1 237 ALA 3.19 -1.58 1 239 THR -0.55 -0.87 1 240 THR -6.92 2.38 1 241 SER -3.97 1.04 1 242 THR 4.47 -2.06 1 243 LEU 5.92 -2.58 1 244 GLN 3.30 -1.53 1 245 GLU 5.97 -2.45 1 246 GLN 4.37 -1.94 1 247 ILE 7.22 -2.69 1 249 TRP 2.34 1.16 1 250 MET -1.16 -0.14 1 251 THR -0.25 0.09 1 252 ASN 0.46 -0.51 1 256 ILE 5.89 -2.72 1 258 VAL 5.31 -1.59 1 261 ILE 5.59 -1.93 1 263 LYS 6.02 -2.52 1 264 ARG 2.15 -1.13 1 265 TRP 5.49 -1.67 1 266 ILE 5.24 -1.95 1 268 LEU 3.72 -0.32 1 271 ASN 4.80 -1.41 1 272 LYS 2.98 -3.26 1 287 GLN -2.99 1.83 1 291 GLU 6.30 -1.68 1 293 PHE 5.28 -2.12 1 294 ARG 3.96 -1.58 1 295 ASP -0.02 -1.17 1 326 ALA 3.60 -3.93 1 327 ASN 3.35 -0.82 1 329 ASP 7.29 -2.64 1 331 LYS 4.20 -1.43 1 333 ILE 3.40 -1.39 1 334 LEU 4.50 -2.39 1 335 LYS 2.01 -1.60 1 336 ALA 1.33 -0.75 1 337 LEU 0.41 -1.82 1 340 ALA -0.36 -0.12 1 341 ALA -3.24 1.17 1 342 THR 4.67 -2.14 1 343 LEU 4.84 -1.71 1 344 GLU 3.52 -1.20 1 345 GLU 4.90 -0.73 1 346 MET 4.56 -1.12 1 347 MET 5.67 -1.61 1 348 THR 2.93 -0.99 1 349 ALA 3.80 -1.69 1 351 GLN 2.45 -1.81 1 353 VAL 1.52 -1.40 1 359 LYS 0.90 -0.97 1 360 ALA 1.79 -1.47 1 361 ARG 1.84 -1.45 1 362 VAL 1.45 -1.44 1 363 LEU 1.36 -1.21 1 364 ALA -2.85 1.68 1 365 GLU 0.99 -1.10 1 366 ALA 5.34 -4.01 1 367 MET 0.83 -1.01 1 369 GLN 1.43 -1.43 1 370 VAL 0.49 -0.70 1 371 THR 0.44 -0.64 1 372 ASN 1.12 -0.87 1 373 SER 1.29 -1.01 1 374 ALA 1.63 -0.98 1 375 THR 1.89 -1.50 1 376 ILE 1.72 -1.54 1 377 MET 1.19 -1.09 1 378 MET 1.16 -1.22 1 380 ARG 0.84 -1.17 1 387 ARG 0.71 -1.29 1 388 LYS 0.11 -1.16 1 389 ILE -0.13 -0.84 1 390 VAL -3.12 1.20 1 391 LYS 2.74 -1.73 1 393 PHE 2.67 0.48 1 394 ASN -0.13 -0.39 1 397 LYS -1.24 0.06 1 398 GLU -0.69 0.45 1 400 HIS -4.42 1.49 1 401 THR 4.04 -1.31 1 402 ALA 3.94 -2.06 1 403 ARG -1.73 0.26 1 404 ASN 0.64 -1.73 1 406 ARG 0.96 -0.98 1 407 ALA 1.12 -1.52 1 409 ARG 0.64 -1.06 1 410 LYS 0.37 -0.79 1 411 LYS 1.49 -0.82 1 414 TRP 2.88 -0.61 1 415 LYS 0.35 -0.51 1 418 LYS -0.33 -0.01 1 419 GLU -0.78 0.69 1 421 HIS -3.06 1.00 1 422 GLN 5.25 -1.10 1 423 MET 4.64 -2.72 1 424 LYS -1.83 0.79 1 425 ASP 0.56 -1.06 1 427 THR 0.81 -1.03 1 428 GLU 0.56 -1.07 1 429 ARG 0.26 -0.79 1 430 GLN 0.04 -0.63 1 431 ALA 0.31 0.88 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25532_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 -2.51 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.66 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 2.48 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 LYS -7.12 3.96 0 12 GLU 2.42 1.80 1 13 LEU 4.77 0.06 1 14 ASP 3.22 2.23 1 15 ARG 4.33 2.76 1 16 TRP 1.15 -0.44 1 17 GLU 0.52 1.11 1 18 LYS -0.34 0.26 1 19 ILE 2.53 -1.38 1 20 ARG 0.34 -0.11 1 21 LEU 4.54 1.80 1 22 ARG -2.29 -1.69 1 26 LYS 0.70 1.17 1 27 LYS 0.96 0.38 1 28 LYS -4.09 -1.07 1 29 TYR 5.16 -0.37 1 31 LEU 5.86 2.24 1 32 LYS 5.14 1.57 1 33 HIS 4.83 4.55 1 34 ILE 5.07 1.42 1 35 VAL 5.76 2.54 1 36 TRP 5.89 1.41 1 37 ALA 4.77 0.77 1 39 ARG 4.04 3.41 1 40 GLU 2.30 2.30 1 41 LEU 5.97 1.55 1 42 GLU 4.07 3.90 1 43 ARG 4.68 1.03 1 44 PHE 0.86 -1.78 1 45 ALA 3.96 -2.01 1 46 VAL -1.64 -1.39 1 50 LEU 3.36 -0.61 1 51 LEU 1.20 0.30 1 52 GLU 1.02 -1.12 1 53 THR -6.91 0.31 1 54 SER 6.11 1.45 1 55 GLU 4.53 2.79 1 58 ARG 7.26 0.22 1 59 GLN 5.20 3.52 1 60 ILE 6.60 1.52 1 61 LEU 5.95 1.95 1 63 GLN 3.15 2.34 1 64 LEU -0.05 0.41 1 65 GLN 1.23 0.49 1 67 SER 3.96 1.73 1 68 LEU 4.23 1.27 1 69 GLN 0.05 0.78 1 70 THR -1.84 1.15 1 72 SER 3.76 2.41 1 73 GLU 4.85 2.22 1 74 GLU 4.58 1.14 1 75 LEU 5.92 1.83 1 76 ARG 5.06 -0.43 1 78 LEU 4.74 0.70 1 79 TYR 4.00 3.40 1 80 ASN 7.23 1.16 1 81 THR 7.23 0.76 1 82 VAL 4.66 1.33 1 83 ALA 3.74 0.03 1 85 LEU 6.02 0.79 1 86 TYR 5.96 4.65 1 88 VAL 2.30 3.29 1 89 HIS -1.64 -1.28 1 90 GLN 6.25 -1.15 1 91 ARG 0.21 -0.22 1 92 ILE 2.04 -0.75 1 93 GLU -5.65 -0.18 1 94 ILE -0.22 1.13 1 95 LYS -4.18 -0.06 1 96 ASP 2.99 0.77 1 97 THR 1.81 1.92 1 98 LYS 3.93 2.65 1 99 GLU 3.38 1.26 1 100 ALA 4.38 3.02 1 101 LEU 4.57 3.24 1 102 ASP 4.20 3.41 1 103 LYS 5.23 1.99 1 104 ILE 3.90 2.14 1 105 GLU 3.17 2.43 1 106 GLU 3.35 2.60 1 107 GLU 3.68 1.96 1 108 GLN 2.37 1.66 1 109 ASN 3.39 1.35 1 110 LYS 2.07 0.79 1 111 SER 2.20 0.63 1 112 LYS 2.02 0.70 1 113 LYS 1.74 0.44 1 114 LYS 1.11 0.48 1 115 ALA 1.29 0.46 1 116 GLN 0.95 -0.04 1 117 GLN 0.61 -0.10 1 118 ALA 0.51 -0.10 1 119 ALA 0.51 -0.21 1 120 ALA 0.28 0.40 1 121 ASP 0.66 0.80 1 122 THR 0.14 -0.25 1 125 SER 0.71 -0.13 1 126 ASN 0.72 -0.03 1 127 GLN 0.67 -0.06 1 128 VAL 0.31 -0.19 1 129 SER 0.55 -0.73 1 130 GLN 0.08 -1.03 1 131 ASN -1.02 -2.21 1 132 TYR 0.41 -0.55 1 135 VAL -0.16 -0.68 1 136 GLN 0.30 0.00 1 137 ASN 1.16 -0.10 1 138 ILE 1.37 0.50 1 139 GLN 0.24 -0.18 1 141 GLN 0.86 -0.41 1 142 MET 0.21 -0.83 1 143 VAL -0.52 -1.61 1 145 GLN -0.67 -0.37 1 146 ALA 0.89 -1.69 1 147 ILE 4.49 0.92 1 152 LEU 6.23 1.89 1 156 VAL 2.72 0.73 1 167 GLU 2.95 2.62 1 174 ALA -0.69 0.71 1 179 ALA 0.43 1.42 1 180 THR 5.42 2.92 1 182 GLN 5.59 1.44 1 184 LEU 5.03 2.95 1 185 ASN 5.08 1.40 1 188 LEU 2.83 1.85 1 189 ASN 2.19 0.27 1 190 THR 2.61 -0.33 1 191 VAL 0.45 1.52 1 194 HIS 6.29 2.60 1 195 GLN 4.40 2.85 1 196 ALA 3.53 1.22 1 197 ALA 3.88 3.13 1 198 MET 5.30 2.35 1 199 GLN 4.16 3.31 1 200 MET 4.93 0.77 1 201 LEU 6.06 0.41 1 205 ILE 4.36 3.46 1 206 ASN 3.87 2.95 1 207 GLU 4.34 1.04 1 209 ALA 5.14 3.28 1 211 GLU 0.56 0.00 1 218 VAL 0.13 0.48 1 219 HIS -0.06 -0.31 1 220 ALA -0.56 -0.65 1 223 ILE 0.70 -0.85 1 224 ALA -1.13 -0.81 1 227 GLN -1.35 0.02 1 228 MET 0.60 -1.54 1 229 ARG 0.04 -0.20 1 230 GLU -2.46 2.10 1 232 ARG 4.54 2.12 1 234 SER 2.59 3.41 1 235 ASP 6.84 -3.78 1 236 ILE -1.09 -0.62 1 237 ALA 3.19 2.30 1 239 THR -0.55 -1.67 1 240 THR -6.92 -0.80 1 241 SER -3.97 1.05 1 242 THR 4.47 0.36 1 243 LEU 5.92 3.76 1 244 GLN 3.30 0.71 1 245 GLU 5.97 2.06 1 246 GLN 4.37 3.18 1 247 ILE 7.22 3.13 1 249 TRP 2.34 1.17 1 250 MET -1.16 -0.86 1 251 THR -0.25 -0.21 1 252 ASN 0.46 0.91 1 256 ILE 5.89 0.20 1 258 VAL 5.31 -0.24 1 261 ILE 5.59 1.12 1 263 LYS 6.02 2.89 1 264 ARG 2.15 2.27 1 265 TRP 5.49 1.85 1 266 ILE 5.24 3.02 1 268 LEU 3.72 2.56 1 271 ASN 4.80 2.20 1 272 LYS 2.98 1.10 1 287 GLN -2.99 -0.29 1 291 GLU 6.30 0.99 1 293 PHE 5.28 1.00 1 294 ARG 3.96 1.84 1 295 ASP -0.02 -2.16 1 326 ALA 3.60 -0.62 1 327 ASN 3.35 2.78 1 329 ASP 7.29 1.45 1 331 LYS 4.20 1.96 1 333 ILE 3.40 3.14 1 334 LEU 4.50 1.89 1 335 LYS 2.01 1.04 1 336 ALA 1.33 0.96 1 337 LEU 0.41 -0.55 1 340 ALA -0.36 -0.12 1 341 ALA -3.24 1.18 1 342 THR 4.67 1.49 1 343 LEU 4.84 2.90 1 344 GLU 3.52 3.53 1 345 GLU 4.90 1.12 1 346 MET 4.56 3.43 1 347 MET 5.67 2.06 1 348 THR 2.93 1.88 1 349 ALA 3.80 0.55 1 351 GLN 2.45 0.70 1 353 VAL 1.52 -0.17 1 359 LYS 0.90 0.29 1 360 ALA 1.79 0.29 1 361 ARG 1.84 0.39 1 362 VAL 1.45 -0.33 1 363 LEU 1.36 0.54 1 364 ALA -2.85 0.03 1 365 GLU 0.99 0.71 1 366 ALA 5.34 0.57 1 367 MET 0.83 0.10 1 369 GLN 1.43 0.18 1 370 VAL 0.49 -0.39 1 371 THR 0.44 0.05 1 372 ASN 1.12 -0.02 1 373 SER 1.29 0.54 1 374 ALA 1.63 0.43 1 375 THR 1.89 0.22 1 376 ILE 1.72 0.32 1 377 MET 1.16 0.51 1 380 ARG 0.84 -0.41 1 387 ARG 0.71 -0.64 1 388 LYS 0.11 -0.65 1 389 ILE -0.13 -2.21 1 390 VAL -3.12 -2.17 1 391 LYS 2.74 -0.08 1 393 PHE 2.67 0.25 1 394 ASN -0.13 -0.99 1 397 LYS -1.24 1.91 1 398 GLU -0.69 -3.08 1 400 HIS -4.42 1.70 1 401 THR 4.04 2.27 1 402 ALA 3.94 0.38 1 403 ARG -1.73 -1.69 1 404 ASN 0.64 -0.41 1 406 ARG 0.96 -1.19 1 407 ALA 1.12 0.56 1 409 ARG 0.64 -0.26 1 410 LYS 0.37 -0.12 1 411 LYS 1.49 0.36 1 414 TRP 2.88 0.61 1 415 LYS 0.35 -0.31 1 418 LYS -0.33 1.43 1 419 GLU -0.78 -1.84 1 421 HIS -3.06 1.77 1 422 GLN 5.25 2.06 1 423 MET 4.64 -0.42 1 424 LYS -1.83 -1.35 1 425 ASP 0.56 0.26 1 427 THR 0.81 -0.12 1 428 GLU 0.56 -0.28 1 429 ARG 0.26 -0.62 1 430 GLN 0.04 -1.40 1 431 ALA 0.31 4.26 1 stop_ save_