| Chain sequence(s) |
A: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR
C: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR B: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR D: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:55:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/66aeea7cb550c2c/tmp/folded.pdb (00:55:38)
[INFO] Main: Simulation completed successfully. (01:48:37)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | A | A | -1.5922 | |
| 2 | K | A | -2.5238 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.0655 | |
| 5 | K | A | -2.6849 | |
| 6 | N | A | -2.3716 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | 0.0000 | |
| 9 | F | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | Y | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | W | A | 0.0000 | |
| 14 | S | A | 0.0000 | |
| 15 | G | A | -0.0972 | |
| 16 | F | A | 0.0000 | |
| 17 | Q | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | E | A | 0.0000 | |
| 20 | M | A | 0.0000 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | -0.4979 | |
| 23 | P | A | -0.8561 | |
| 24 | G | A | -0.9725 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -1.6624 | |
| 27 | V | A | -1.1516 | |
| 28 | E | A | -1.4688 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.2112 | |
| 33 | V | A | 0.0278 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -1.1618 | |
| 37 | D | A | -1.1371 | |
| 38 | K | A | -1.7656 | |
| 39 | E | A | -0.8307 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.0415 | |
| 42 | A | A | -0.2230 | |
| 43 | S | A | -0.7098 | |
| 44 | G | A | -0.6498 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | -0.3388 | |
| 47 | S | A | -0.3429 | |
| 48 | G | A | -0.9424 | |
| 49 | D | A | -1.2889 | |
| 50 | L | A | -0.5429 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.5015 | |
| 53 | N | A | -1.4624 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | H | A | -0.7828 | |
| 60 | L | A | -0.6418 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.3868 | |
| 63 | Q | A | -2.2204 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.0480 | |
| 67 | I | A | -1.4216 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.0007 | |
| 70 | K | A | -2.2380 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -0.9222 | |
| 75 | C | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | E | A | -0.2514 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | R | A | -1.0915 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -1.2608 | |
| 88 | K | A | -1.6257 | |
| 89 | P | A | -0.8089 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.4427 | |
| 92 | D | A | -1.8700 | |
| 93 | V | A | 0.0000 | |
| 94 | K | A | -2.4640 | |
| 95 | V | A | -2.0596 | |
| 96 | D | A | -3.1188 | |
| 97 | V | A | -2.2084 | |
| 98 | E | A | -3.0401 | |
| 99 | K | A | -3.8169 | |
| 100 | D | A | -4.0632 | |
| 101 | E | A | -4.0275 | |
| 102 | E | A | -3.6961 | |
| 103 | G | A | -3.0339 | |
| 104 | N | A | -2.4340 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.1649 | |
| 107 | S | A | -0.9578 | |
| 108 | V | A | -1.7689 | |
| 109 | D | A | -2.9583 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -1.9724 | |
| 112 | E | A | -2.5827 | |
| 113 | S | A | -2.0837 | |
| 114 | T | A | -2.2272 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.5049 | |
| 117 | E | A | -3.7454 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.6588 | |
| 120 | K | A | -2.7767 | |
| 121 | I | A | -1.7285 | |
| 122 | A | A | -1.7783 | |
| 123 | N | A | -1.7737 | |
| 124 | M | A | -1.7473 | |
| 125 | E | A | -2.6344 | |
| 126 | A | A | -1.9078 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.2259 | |
| 129 | H | A | -2.4282 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.3138 | |
| 132 | K | A | -2.5427 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.8377 | |
| 136 | D | A | -2.0540 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.0220 | |
| 139 | E | A | -2.5389 | |
| 140 | R | A | -2.0131 | |
| 141 | G | A | -1.7240 | |
| 142 | K | A | -1.4482 | |
| 143 | T | A | -0.7408 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | N | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | H | A | -0.1845 | |
| 151 | W | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.0552 | |
| 156 | W | A | -0.3145 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.8733 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | -0.0135 | |
| 162 | A | A | -0.8374 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.6433 | |
| 166 | L | A | -0.9466 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.6844 | |
| 169 | D | A | -2.5726 | |
| 170 | R | A | -2.7683 | |
| 171 | A | A | -1.7570 | |
| 172 | P | A | -1.2130 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | -1.2344 | |
| 177 | D | A | -1.7290 | |
| 178 | E | A | -2.2030 | |
| 179 | K | A | -2.0341 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.6741 | |
| 183 | E | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | Y | A | -0.7782 | |
| 194 | H | A | -0.8480 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.8229 | |
| 197 | D | A | -2.2550 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.3124 | |
| 201 | M | A | -0.4879 | |
| 202 | W | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | E | A | -0.2184 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.5911 | |
| 210 | V | A | -0.1199 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -0.6415 | |
| 213 | N | A | -0.8705 | |
| 214 | Q | A | -0.8548 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | N | A | -1.0306 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -2.2353 | |
| 221 | S | A | -0.9815 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.4442 | |
| 227 | Y | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | -0.9314 | |
| 231 | E | A | -2.2697 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | -1.5022 | |
| 234 | E | A | -2.5618 | |
| 235 | K | A | -1.8654 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.3517 | |
| 238 | F | A | -0.3919 | |
| 239 | N | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | Q | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | H | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | G | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | Y | A | -0.7554 | |
| 249 | D | A | -1.2263 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.2161 | |
| 253 | E | A | -2.8281 | |
| 254 | Y | A | -1.5589 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.5601 | |
| 257 | K | A | -1.7295 | |
| 258 | S | A | -1.0367 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | Y | A | 0.0000 | |
| 264 | A | A | -0.2027 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0348 | |
| 267 | W | A | -0.1953 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.3602 | |
| 270 | P | A | -1.2602 | |
| 271 | L | A | -0.1621 | |
| 272 | A | A | -1.2409 | |
| 273 | E | A | -3.3007 | |
| 274 | E | A | -3.5009 | |
| 275 | Y | A | -3.2715 | |
| 276 | K | A | -4.2971 | |
| 277 | D | A | -4.4802 | |
| 278 | E | A | -4.0316 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -3.6175 | |
| 281 | E | A | -3.9336 | |
| 282 | I | A | -2.5512 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.7508 | |
| 285 | K | A | -4.1356 | |
| 286 | D | A | -3.4880 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -3.2352 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.3301 | |
| 292 | I | A | -0.7911 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.5370 | |
| 295 | S | A | -1.2195 | |
| 296 | K | A | -2.0759 | |
| 297 | G | A | -1.6319 | |
| 298 | K | A | -1.3050 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.9679 | |
| 301 | W | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | N | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | Y | A | 0.3324 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0000 | |
| 310 | L | A | 0.6360 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.0975 | |
| 315 | K | A | -2.4664 | |
| 316 | D | A | -2.7631 | |
| 317 | G | A | -1.9225 | |
| 318 | H | A | -1.3935 | |
| 319 | L | A | -0.2176 | |
| 320 | V | A | 0.8270 | |
| 321 | P | A | 0.8763 | |
| 322 | L | A | 0.6099 | |
| 323 | P | A | -0.2103 | |
| 324 | G | A | -0.9822 | |
| 325 | Y | A | -0.3422 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.6979 | |
| 328 | M | A | 0.3128 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -2.6979 | |
| 331 | R | A | -2.7074 | |
| 332 | G | A | -1.7069 | |
| 333 | G | A | -1.5133 | |
| 334 | F | A | -1.3821 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.2003 | |
| 337 | S | A | -1.2814 | |
| 338 | G | A | -1.4897 | |
| 339 | R | A | -1.2824 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.8531 | |
| 344 | F | A | -0.6760 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.0008 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.1970 | |
| 350 | P | A | -0.8832 | |
| 351 | E | A | -1.4009 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.7504 | |
| 355 | N | A | -1.8673 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.3179 | |
| 359 | Y | A | -1.0604 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -1.8455 | |
| 362 | N | A | -1.9425 | |
| 363 | A | A | -1.2823 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.4272 | |
| 366 | L | A | -1.3082 | |
| 367 | P | A | -1.1255 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | 0.0000 | |
| 373 | N | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | D | A | 0.0000 | |
| 378 | A | A | -0.4511 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.4490 | |
| 382 | Y | A | 0.0000 | |
| 383 | R | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | H | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | H | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | K | A | -0.8777 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.2632 | |
| 396 | N | A | -1.8056 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.0890 | |
| 399 | K | A | -2.8921 | |
| 400 | E | A | -3.2652 | |
| 401 | G | A | -2.4332 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.1279 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.6386 | |
| 406 | G | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | H | A | 0.0000 | |
| 410 | W | A | 0.0000 | |
| 411 | S | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | D | A | 0.0000 | |
| 415 | N | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | E | A | -0.4249 | |
| 418 | W | A | 0.0859 | |
| 419 | A | A | -0.5282 | |
| 420 | Q | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.8659 | |
| 423 | R | A | -1.8917 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.5764 | |
| 426 | F | A | -0.1115 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.3817 | |
| 433 | F | A | -1.3648 | |
| 434 | E | A | -2.2219 | |
| 435 | T | A | -1.5540 | |
| 436 | K | A | -1.4599 | |
| 437 | K | A | -1.8642 | |
| 438 | R | A | -1.4623 | |
| 439 | Y | A | 0.0000 | |
| 440 | L | A | -0.4266 | |
| 441 | R | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | R | A | -1.6264 | |
| 449 | E | A | -1.5193 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.6254 | |
| 453 | Q | A | -2.1673 | |
| 454 | K | A | -2.3217 | |
| 455 | E | A | -2.4335 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | -1.8955 | |
| 458 | E | A | -2.2517 | |
| 459 | E | A | -1.7220 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.1367 | |
| 462 | H | A | -1.0352 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -0.9281 | |
| 465 | D | A | -1.6171 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -2.0152 | |
| 468 | F | A | -0.6109 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.4721 | |
| 471 | R | A | -2.2451 | |
| 1 | A | B | -1.2950 | |
| 2 | K | B | -2.5614 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -2.0890 | |
| 5 | K | B | -2.8550 | |
| 6 | N | B | -2.3220 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -1.0328 | |
| 9 | F | B | 0.0000 | |
| 10 | G | B | 0.0000 | |
| 11 | Y | B | 0.0000 | |
| 12 | S | B | 0.0000 | |
| 13 | W | B | 0.0000 | |
| 14 | S | B | 0.0000 | |
| 15 | G | B | 0.0000 | |
| 16 | F | B | 0.0000 | |
| 17 | Q | B | 0.0000 | |
| 18 | F | B | 0.0000 | |
| 19 | E | B | 0.0000 | |
| 20 | M | B | 0.0000 | |
| 21 | G | B | 0.0000 | |
| 22 | L | B | -0.3419 | |
| 23 | P | B | -0.7552 | |
| 24 | G | B | -1.0213 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -1.9910 | |
| 27 | V | B | 0.0000 | |
| 28 | E | B | -1.9009 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.5433 | |
| 33 | V | B | -0.2604 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.8300 | |
| 37 | D | B | -0.9291 | |
| 38 | K | B | -1.4960 | |
| 39 | E | B | 0.0000 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | 0.2666 | |
| 42 | A | B | -0.0348 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.3625 | |
| 45 | L | B | -0.0400 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.6199 | |
| 48 | G | B | -0.8268 | |
| 49 | D | B | -1.2505 | |
| 50 | L | B | -0.2174 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.2236 | |
| 53 | N | B | -1.2431 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | 0.0000 | |
| 59 | H | B | -0.8163 | |
| 60 | L | B | -0.8606 | |
| 61 | Y | B | -1.2611 | |
| 62 | K | B | -2.2705 | |
| 63 | Q | B | -2.2892 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -2.6886 | |
| 67 | I | B | -1.7254 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.8649 | |
| 70 | K | B | -2.9182 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -2.1149 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -0.8803 | |
| 75 | C | B | 0.0000 | |
| 76 | I | B | 0.0000 | |
| 77 | R | B | 0.0000 | |
| 78 | G | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | I | B | 0.0000 | |
| 81 | E | B | 0.0000 | |
| 82 | W | B | 0.0000 | |
| 83 | A | B | -0.6078 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.1692 | |
| 88 | K | B | -1.4114 | |
| 89 | P | B | -0.8735 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -1.1069 | |
| 92 | D | B | -2.1834 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.3110 | |
| 95 | V | B | -1.9053 | |
| 96 | D | B | -2.6728 | |
| 97 | V | B | -1.7451 | |
| 98 | E | B | -2.2842 | |
| 99 | K | B | -2.3988 | |
| 100 | D | B | -2.8726 | |
| 101 | E | B | -3.4055 | |
| 102 | E | B | -3.1902 | |
| 103 | G | B | 0.0000 | |
| 104 | N | B | -1.2792 | |
| 105 | I | B | -0.3929 | |
| 106 | I | B | 0.7337 | |
| 107 | S | B | -0.7610 | |
| 108 | V | B | -1.5495 | |
| 109 | D | B | -2.9763 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -1.8945 | |
| 112 | E | B | -2.6142 | |
| 113 | S | B | -1.9263 | |
| 114 | T | B | -1.9424 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -2.8602 | |
| 117 | E | B | -3.1479 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.0296 | |
| 120 | K | B | -2.4443 | |
| 121 | I | B | -1.7035 | |
| 122 | A | B | -1.3754 | |
| 123 | N | B | -1.5252 | |
| 124 | M | B | -1.5710 | |
| 125 | E | B | -2.5485 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.1041 | |
| 129 | H | B | -2.2922 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.3076 | |
| 132 | K | B | -2.6277 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.0209 | |
| 136 | D | B | -2.0763 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.2648 | |
| 139 | E | B | -2.5143 | |
| 140 | R | B | -2.0328 | |
| 141 | G | B | -1.5858 | |
| 142 | K | B | -1.4392 | |
| 143 | T | B | -0.5651 | |
| 144 | F | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | N | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | Y | B | 0.0000 | |
| 150 | H | B | 0.0000 | |
| 151 | W | B | 0.1203 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.1008 | |
| 156 | W | B | -0.0532 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1773 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | 0.1415 | |
| 162 | A | B | -0.2841 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | -0.1268 | |
| 166 | L | B | -0.4896 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.1613 | |
| 169 | D | B | -2.0020 | |
| 170 | R | B | -1.3486 | |
| 171 | A | B | -0.8802 | |
| 172 | P | B | -0.5856 | |
| 173 | A | B | -1.0150 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | -1.5078 | |
| 177 | D | B | -2.0913 | |
| 178 | E | B | -2.7240 | |
| 179 | K | B | -2.2055 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.7928 | |
| 183 | E | B | 0.0000 | |
| 184 | F | B | 0.0000 | |
| 185 | V | B | 0.0000 | |
| 186 | K | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | A | B | 0.0000 | |
| 189 | A | B | 0.0000 | |
| 190 | F | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | A | B | 0.0000 | |
| 193 | Y | B | -0.5743 | |
| 194 | H | B | -0.6206 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.7699 | |
| 197 | D | B | -2.4691 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.2103 | |
| 201 | M | B | -0.5340 | |
| 202 | W | B | 0.0000 | |
| 203 | S | B | 0.0000 | |
| 204 | T | B | 0.0000 | |
| 205 | M | B | 0.0000 | |
| 206 | N | B | 0.0000 | |
| 207 | E | B | -0.1664 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.6253 | |
| 210 | V | B | -0.3818 | |
| 211 | V | B | 0.0000 | |
| 212 | Y | B | -0.8886 | |
| 213 | N | B | -1.1324 | |
| 214 | Q | B | -1.0921 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.7930 | |
| 218 | N | B | -1.4832 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -1.6678 | |
| 221 | S | B | -0.8788 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.4920 | |
| 227 | Y | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | -0.8453 | |
| 230 | F | B | -1.1669 | |
| 231 | E | B | -2.4855 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.8965 | |
| 235 | K | B | -2.7226 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.4845 | |
| 238 | F | B | -0.8275 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | 0.0000 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | 0.0000 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | -1.1277 | |
| 249 | D | B | -2.1431 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -3.0871 | |
| 253 | E | B | -3.2276 | |
| 254 | Y | B | -1.8379 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.9821 | |
| 257 | K | B | -1.9196 | |
| 258 | S | B | -1.0466 | |
| 259 | V | B | 0.0000 | |
| 260 | G | B | 0.0000 | |
| 261 | V | B | 0.0000 | |
| 262 | I | B | 0.0000 | |
| 263 | Y | B | 0.0000 | |
| 264 | A | B | -0.0442 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | -0.0154 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.3226 | |
| 270 | P | B | -0.7557 | |
| 271 | L | B | 0.8158 | |
| 272 | A | B | -0.9121 | |
| 273 | E | B | -2.9644 | |
| 274 | E | B | -3.2999 | |
| 275 | Y | B | -2.8487 | |
| 276 | K | B | -4.1285 | |
| 277 | D | B | -4.7631 | |
| 278 | E | B | -4.4780 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.6039 | |
| 281 | E | B | -4.7718 | |
| 282 | I | B | -3.4462 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -3.7406 | |
| 285 | K | B | -4.2122 | |
| 286 | D | B | -3.5439 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.7124 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.2753 | |
| 292 | I | B | -0.5580 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.3357 | |
| 295 | S | B | -1.0204 | |
| 296 | K | B | -1.6511 | |
| 297 | G | B | -1.4181 | |
| 298 | K | B | -1.2219 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.7388 | |
| 301 | W | B | 0.0000 | |
| 302 | I | B | 0.0000 | |
| 303 | G | B | 0.0000 | |
| 304 | V | B | 0.0000 | |
| 305 | N | B | 0.0000 | |
| 306 | Y | B | 0.0000 | |
| 307 | Y | B | 0.3422 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.0000 | |
| 310 | L | B | 0.7530 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -0.9416 | |
| 315 | K | B | -2.6996 | |
| 316 | D | B | -2.9661 | |
| 317 | G | B | -2.2000 | |
| 318 | H | B | -2.2030 | |
| 319 | L | B | -0.8403 | |
| 320 | V | B | -0.1808 | |
| 321 | P | B | 0.5811 | |
| 322 | L | B | 0.4737 | |
| 323 | P | B | -0.2283 | |
| 324 | G | B | -0.6562 | |
| 325 | Y | B | -0.1682 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.7693 | |
| 328 | M | B | 0.1593 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.5083 | |
| 331 | R | B | -2.5989 | |
| 332 | G | B | -1.3776 | |
| 333 | G | B | -1.2824 | |
| 334 | F | B | -0.9089 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.8648 | |
| 337 | S | B | -1.1415 | |
| 338 | G | B | -1.3292 | |
| 339 | R | B | -0.7867 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -1.3166 | |
| 344 | F | B | -0.4681 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.2274 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | 0.0420 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.0013 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.2414 | |
| 355 | N | B | -1.2443 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -1.8331 | |
| 359 | Y | B | -0.9518 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.3297 | |
| 362 | N | B | -2.0105 | |
| 363 | A | B | -1.3145 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.6328 | |
| 366 | L | B | 0.0000 | |
| 367 | P | B | -1.2042 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1115 | |
| 373 | N | B | 0.0000 | |
| 374 | G | B | -0.0033 | |
| 375 | M | B | 0.0000 | |
| 376 | A | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | A | B | -0.4580 | |
| 379 | A | B | -0.2398 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.5471 | |
| 382 | Y | B | 0.0000 | |
| 383 | R | B | 0.0000 | |
| 384 | P | B | 0.0000 | |
| 385 | H | B | 0.0000 | |
| 386 | Y | B | 0.0000 | |
| 387 | L | B | 0.0000 | |
| 388 | V | B | 0.0000 | |
| 389 | S | B | 0.0000 | |
| 390 | H | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | K | B | -1.1645 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -0.9697 | |
| 396 | N | B | -1.8633 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.1194 | |
| 399 | K | B | -2.9136 | |
| 400 | E | B | -3.1785 | |
| 401 | G | B | -2.6756 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.5455 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.6625 | |
| 406 | G | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | H | B | 0.0000 | |
| 410 | W | B | 0.0548 | |
| 411 | S | B | 0.0000 | |
| 412 | L | B | 0.0000 | |
| 413 | T | B | 0.0000 | |
| 414 | D | B | 0.0000 | |
| 415 | N | B | 0.0000 | |
| 416 | Y | B | 0.0000 | |
| 417 | E | B | -0.7785 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | -0.6373 | |
| 420 | Q | B | -1.0452 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.9241 | |
| 423 | R | B | -2.0554 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.6308 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.3491 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.4941 | |
| 433 | F | B | -1.5221 | |
| 434 | E | B | -2.3174 | |
| 435 | T | B | -1.6928 | |
| 436 | K | B | -1.7053 | |
| 437 | K | B | -2.4570 | |
| 438 | R | B | -1.5178 | |
| 439 | Y | B | -1.1013 | |
| 440 | L | B | -0.2991 | |
| 441 | R | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | S | B | 0.0000 | |
| 444 | A | B | 0.0000 | |
| 445 | L | B | -0.5318 | |
| 446 | V | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | R | B | -2.3669 | |
| 449 | E | B | -1.5854 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.3646 | |
| 453 | Q | B | -1.9257 | |
| 454 | K | B | -2.5680 | |
| 455 | E | B | -2.0463 | |
| 456 | I | B | -1.3407 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -2.2487 | |
| 459 | E | B | -1.8754 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.3175 | |
| 462 | H | B | -1.3271 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -1.2480 | |
| 465 | D | B | -2.2660 | |
| 466 | L | B | -1.6204 | |
| 467 | K | B | -2.1686 | |
| 468 | F | B | -0.8787 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.4359 | |
| 471 | R | B | -2.1429 | |
| 1 | A | C | -1.4134 | |
| 2 | K | C | -2.4812 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.0149 | |
| 5 | K | C | -2.9698 | |
| 6 | N | C | -2.4029 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | -0.9716 | |
| 9 | F | C | 0.0000 | |
| 10 | G | C | 0.0000 | |
| 11 | Y | C | 0.0000 | |
| 12 | S | C | 0.0000 | |
| 13 | W | C | 0.0000 | |
| 14 | S | C | 0.0000 | |
| 15 | G | C | 0.0000 | |
| 16 | F | C | 0.0000 | |
| 17 | Q | C | 0.0000 | |
| 18 | F | C | 0.0000 | |
| 19 | E | C | 0.0000 | |
| 20 | M | C | 0.0000 | |
| 21 | G | C | -1.3126 | |
| 22 | L | C | -0.6316 | |
| 23 | P | C | -0.9958 | |
| 24 | G | C | -1.1786 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.4331 | |
| 27 | V | C | 0.0000 | |
| 28 | E | C | -1.5309 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.2493 | |
| 33 | V | C | 0.0343 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.4924 | |
| 37 | D | C | -0.9278 | |
| 38 | K | C | -1.6710 | |
| 39 | E | C | -0.7378 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.4171 | |
| 42 | A | C | -0.3494 | |
| 43 | S | C | -0.7019 | |
| 44 | G | C | -0.6620 | |
| 45 | L | C | -0.3920 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.5360 | |
| 48 | G | C | -0.6878 | |
| 49 | D | C | -0.9048 | |
| 50 | L | C | -0.3904 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.0116 | |
| 53 | N | C | -1.8315 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | 0.0000 | |
| 59 | H | C | -0.7614 | |
| 60 | L | C | -0.9100 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -3.0493 | |
| 63 | Q | C | -2.6725 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -3.0071 | |
| 67 | I | C | -1.7771 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.1246 | |
| 70 | K | C | -2.0173 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.3413 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -0.9212 | |
| 75 | C | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
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| 80 | I | C | 0.0000 | |
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| 89 | P | C | -0.6924 | |
| 90 | T | C | 0.0000 | |
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| 95 | V | C | -1.9582 | |
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| 100 | D | C | -3.9020 | |
| 101 | E | C | -3.9995 | |
| 102 | E | C | -3.5718 | |
| 103 | G | C | -2.8990 | |
| 104 | N | C | -1.8339 | |
| 105 | I | C | -0.9467 | |
| 106 | I | C | 0.2119 | |
| 107 | S | C | -1.0589 | |
| 108 | V | C | 0.0000 | |
| 109 | D | C | -3.1439 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -2.3879 | |
| 112 | E | C | -2.5344 | |
| 113 | S | C | -2.2238 | |
| 114 | T | C | 0.0000 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.2853 | |
| 117 | E | C | -2.9703 | |
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| 124 | M | C | -1.7611 | |
| 125 | E | C | -2.5037 | |
| 126 | A | C | 0.0000 | |
| 127 | L | C | 0.0000 | |
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| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.0374 | |
| 132 | K | C | -2.3277 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -2.4276 | |
| 136 | D | C | -3.3763 | |
| 137 | W | C | 0.0000 | |
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| 139 | E | C | -3.8507 | |
| 140 | R | C | -3.6475 | |
| 141 | G | C | -2.6197 | |
| 142 | K | C | -2.4010 | |
| 143 | T | C | -1.1528 | |
| 144 | F | C | 0.0000 | |
| 145 | I | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
| 147 | N | C | 0.0000 | |
| 148 | L | C | 0.0000 | |
| 149 | Y | C | 0.0000 | |
| 150 | H | C | 0.0000 | |
| 151 | W | C | 0.1965 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | -0.1727 | |
| 156 | W | C | -0.3236 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.3925 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | 0.1505 | |
| 162 | A | C | -0.2766 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | -0.3926 | |
| 165 | K | C | -0.1037 | |
| 166 | L | C | -0.2050 | |
| 167 | G | C | -0.9626 | |
| 168 | P | C | -1.4823 | |
| 169 | D | C | -2.4779 | |
| 170 | R | C | -2.6133 | |
| 171 | A | C | -1.3932 | |
| 172 | P | C | -0.8581 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | -0.9403 | |
| 177 | D | C | -1.7016 | |
| 178 | E | C | -2.4556 | |
| 179 | K | C | -1.8217 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | -0.5699 | |
| 183 | E | C | 0.0000 | |
| 184 | F | C | 0.0000 | |
| 185 | V | C | 0.0000 | |
| 186 | K | C | 0.0000 | |
| 187 | F | C | 0.0000 | |
| 188 | A | C | 0.0000 | |
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| 190 | F | C | 0.0000 | |
| 191 | V | C | 0.0000 | |
| 192 | A | C | 0.0000 | |
| 193 | Y | C | 0.1988 | |
| 194 | H | C | -0.3724 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.5812 | |
| 197 | D | C | -2.3172 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.3528 | |
| 201 | M | C | -0.6106 | |
| 202 | W | C | 0.0000 | |
| 203 | S | C | 0.0000 | |
| 204 | T | C | 0.0000 | |
| 205 | M | C | 0.0000 | |
| 206 | N | C | 0.0000 | |
| 207 | E | C | 0.0000 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.5522 | |
| 210 | V | C | -0.0203 | |
| 211 | V | C | -0.0230 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -0.8631 | |
| 214 | Q | C | -0.8174 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.5052 | |
| 218 | N | C | -1.0550 | |
| 219 | L | C | -0.5675 | |
| 220 | R | C | -2.0951 | |
| 221 | S | C | -1.0943 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.2443 | |
| 227 | Y | C | 0.0738 | |
| 228 | L | C | -0.1107 | |
| 229 | S | C | -0.6900 | |
| 230 | F | C | -0.7897 | |
| 231 | E | C | -2.3418 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.6738 | |
| 235 | K | C | -2.1287 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.0898 | |
| 238 | F | C | -0.3250 | |
| 239 | N | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.0000 | |
| 242 | Q | C | 0.0000 | |
| 243 | A | C | 0.0000 | |
| 244 | H | C | 0.0000 | |
| 245 | I | C | 0.0000 | |
| 246 | G | C | 0.0000 | |
| 247 | A | C | 0.0000 | |
| 248 | Y | C | -0.6267 | |
| 249 | D | C | -1.3568 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -2.0232 | |
| 253 | E | C | -2.3077 | |
| 254 | Y | C | -1.1165 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.6343 | |
| 257 | K | C | -1.9149 | |
| 258 | S | C | -1.0174 | |
| 259 | V | C | 0.0000 | |
| 260 | G | C | 0.0000 | |
| 261 | V | C | 0.0000 | |
| 262 | I | C | 0.0000 | |
| 263 | Y | C | 0.0000 | |
| 264 | A | C | -0.1326 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.1050 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.1560 | |
| 270 | P | C | -0.5430 | |
| 271 | L | C | 0.7618 | |
| 272 | A | C | -0.9720 | |
| 273 | E | C | -3.0380 | |
| 274 | E | C | -3.4517 | |
| 275 | Y | C | -2.7810 | |
| 276 | K | C | -4.1424 | |
| 277 | D | C | -4.4313 | |
| 278 | E | C | -3.9139 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -3.8892 | |
| 281 | E | C | -3.9987 | |
| 282 | I | C | -2.8032 | |
| 283 | R | C | 0.0000 | |
| 284 | K | C | -3.5315 | |
| 285 | K | C | -3.7232 | |
| 286 | D | C | -3.1410 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.2026 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.0493 | |
| 292 | I | C | -0.3322 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -0.9480 | |
| 295 | S | C | -0.9072 | |
| 296 | K | C | -1.3858 | |
| 297 | G | C | -1.2544 | |
| 298 | K | C | -0.9927 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.6309 | |
| 301 | W | C | 0.0000 | |
| 302 | I | C | 0.0000 | |
| 303 | G | C | 0.0000 | |
| 304 | V | C | 0.0000 | |
| 305 | N | C | 0.0000 | |
| 306 | Y | C | 0.0000 | |
| 307 | Y | C | 0.2895 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.1887 | |
| 310 | L | C | 0.5223 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.1413 | |
| 315 | K | C | -2.8381 | |
| 316 | D | C | -3.1726 | |
| 317 | G | C | -2.5224 | |
| 318 | H | C | -1.9448 | |
| 319 | L | C | -0.8994 | |
| 320 | V | C | 0.0599 | |
| 321 | P | C | 0.3141 | |
| 322 | L | C | 0.3871 | |
| 323 | P | C | -0.3056 | |
| 324 | G | C | 0.0000 | |
| 325 | Y | C | -0.2246 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.5782 | |
| 328 | M | C | 0.0683 | |
| 329 | S | C | -1.0677 | |
| 330 | E | C | -2.5562 | |
| 331 | R | C | -2.7477 | |
| 332 | G | C | -1.7529 | |
| 333 | G | C | -1.1527 | |
| 334 | F | C | -0.9954 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -1.7133 | |
| 337 | S | C | -1.2063 | |
| 338 | G | C | -1.3286 | |
| 339 | R | C | -0.8736 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.6001 | |
| 344 | F | C | -0.9739 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | 0.0306 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.1561 | |
| 350 | P | C | 0.0000 | |
| 351 | E | C | -1.4120 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.6638 | |
| 355 | N | C | -1.5724 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -2.2330 | |
| 359 | Y | C | -1.0532 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -2.1817 | |
| 362 | N | C | -1.9789 | |
| 363 | A | C | -1.2249 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.3992 | |
| 366 | L | C | -1.2558 | |
| 367 | P | C | -1.1118 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1604 | |
| 373 | N | C | 0.0000 | |
| 374 | G | C | 0.0000 | |
| 375 | M | C | 0.0000 | |
| 376 | A | C | 0.0000 | |
| 377 | D | C | 0.0000 | |
| 378 | A | C | -0.3603 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.5477 | |
| 382 | Y | C | 0.0000 | |
| 383 | R | C | 0.0000 | |
| 384 | P | C | 0.0000 | |
| 385 | H | C | 0.0000 | |
| 386 | Y | C | 0.0000 | |
| 387 | L | C | 0.0000 | |
| 388 | V | C | 0.0000 | |
| 389 | S | C | 0.0000 | |
| 390 | H | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | K | C | -0.9647 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.0724 | |
| 396 | N | C | -1.6333 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.1354 | |
| 399 | K | C | -2.9325 | |
| 400 | E | C | -3.2357 | |
| 401 | G | C | -2.6881 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -2.3556 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.9371 | |
| 406 | G | C | 0.0000 | |
| 407 | Y | C | 0.0000 | |
| 408 | L | C | 0.0000 | |
| 409 | H | C | 0.0000 | |
| 410 | W | C | 0.0000 | |
| 411 | S | C | 0.0000 | |
| 412 | L | C | 0.0000 | |
| 413 | T | C | 0.0000 | |
| 414 | D | C | 0.0000 | |
| 415 | N | C | 0.0000 | |
| 416 | Y | C | 0.0000 | |
| 417 | E | C | -0.5768 | |
| 418 | W | C | -0.0283 | |
| 419 | A | C | -0.4082 | |
| 420 | Q | C | -0.9659 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.8420 | |
| 423 | R | C | -1.9152 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | 0.0000 | |
| 426 | F | C | 0.0000 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | -0.2896 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.4215 | |
| 433 | F | C | -1.4908 | |
| 434 | E | C | -2.3816 | |
| 435 | T | C | -1.7295 | |
| 436 | K | C | -1.6287 | |
| 437 | K | C | -2.3310 | |
| 438 | R | C | -1.4070 | |
| 439 | Y | C | -0.8549 | |
| 440 | L | C | 0.0000 | |
| 441 | R | C | 0.0000 | |
| 442 | P | C | 0.0000 | |
| 443 | S | C | 0.0000 | |
| 444 | A | C | 0.0000 | |
| 445 | L | C | 0.0000 | |
| 446 | V | C | 0.0000 | |
| 447 | F | C | 0.0000 | |
| 448 | R | C | -1.8162 | |
| 449 | E | C | -1.3855 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.3371 | |
| 453 | Q | C | -1.6527 | |
| 454 | K | C | -2.0726 | |
| 455 | E | C | -2.1651 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | -1.7810 | |
| 458 | E | C | -2.5882 | |
| 459 | E | C | -2.1063 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.3318 | |
| 462 | H | C | -1.3131 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | 0.0000 | |
| 465 | D | C | -1.9706 | |
| 466 | L | C | 0.0000 | |
| 467 | K | C | -2.0665 | |
| 468 | F | C | -0.7698 | |
| 469 | V | C | 0.0000 | |
| 470 | T | C | -1.3764 | |
| 471 | R | C | -2.0254 | |
| 1 | A | D | -1.3249 | |
| 2 | K | D | -2.6177 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -2.2163 | |
| 5 | K | D | -2.8681 | |
| 6 | N | D | -2.1981 | |
| 7 | F | D | -1.5453 | |
| 8 | M | D | 0.0000 | |
| 9 | F | D | 0.0000 | |
| 10 | G | D | 0.0000 | |
| 11 | Y | D | 0.0000 | |
| 12 | S | D | 0.0000 | |
| 13 | W | D | 0.0000 | |
| 14 | S | D | -0.0408 | |
| 15 | G | D | 0.0000 | |
| 16 | F | D | 0.0000 | |
| 17 | Q | D | 0.0000 | |
| 18 | F | D | 0.0000 | |
| 19 | E | D | 0.0000 | |
| 20 | M | D | 0.0000 | |
| 21 | G | D | -1.0037 | |
| 22 | L | D | -0.4803 | |
| 23 | P | D | -0.8436 | |
| 24 | G | D | -1.0820 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.3102 | |
| 27 | V | D | -1.5119 | |
| 28 | E | D | -1.8750 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.3687 | |
| 33 | V | D | -0.0860 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.0304 | |
| 37 | D | D | -0.5321 | |
| 38 | K | D | -1.4268 | |
| 39 | E | D | -0.5451 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | 0.8840 | |
| 42 | A | D | 0.3224 | |
| 43 | S | D | 0.2629 | |
| 44 | G | D | 0.3119 | |
| 45 | L | D | 0.9028 | |
| 46 | V | D | 0.9989 | |
| 47 | S | D | 0.0739 | |
| 48 | G | D | -0.1824 | |
| 49 | D | D | -0.5528 | |
| 50 | L | D | 0.2106 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -1.2084 | |
| 53 | N | D | -1.4531 | |
| 54 | G | D | 0.0000 | |
| 55 | P | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | W | D | 0.0000 | |
| 59 | H | D | -0.7011 | |
| 60 | L | D | -0.5525 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.3591 | |
| 63 | Q | D | -1.9875 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -2.9163 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.7362 | |
| 70 | K | D | -2.8298 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.8798 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.4722 | |
| 75 | C | D | 0.0000 | |
| 76 | I | D | 0.0000 | |
| 77 | R | D | 0.0000 | |
| 78 | G | D | 0.0000 | |
| 79 | G | D | 0.0000 | |
| 80 | I | D | 0.0000 | |
| 81 | E | D | 0.0000 | |
| 82 | W | D | 0.0000 | |
| 83 | A | D | 0.0000 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.2145 | |
| 88 | K | D | -1.6241 | |
| 89 | P | D | -0.8317 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.4598 | |
| 92 | D | D | -1.8473 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.5561 | |
| 95 | V | D | -2.0729 | |
| 96 | D | D | -3.0597 | |
| 97 | V | D | -1.9952 | |
| 98 | E | D | -2.6693 | |
| 99 | K | D | -3.0220 | |
| 100 | D | D | -3.7725 | |
| 101 | E | D | -3.8499 | |
| 102 | E | D | -3.5253 | |
| 103 | G | D | -2.6185 | |
| 104 | N | D | -1.6692 | |
| 105 | I | D | -0.7021 | |
| 106 | I | D | 0.7493 | |
| 107 | S | D | -0.5191 | |
| 108 | V | D | 0.0000 | |
| 109 | D | D | -3.3527 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.3311 | |
| 112 | E | D | -2.7292 | |
| 113 | S | D | -2.3073 | |
| 114 | T | D | 0.0000 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.4626 | |
| 117 | E | D | -3.5344 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.5215 | |
| 120 | K | D | -2.7666 | |
| 121 | I | D | -1.8090 | |
| 122 | A | D | -1.7244 | |
| 123 | N | D | -1.6509 | |
| 124 | M | D | -1.5622 | |
| 125 | E | D | -2.4613 | |
| 126 | A | D | -1.6601 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.8661 | |
| 129 | H | D | -2.1228 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.3292 | |
| 132 | K | D | -2.3479 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.5390 | |
| 136 | D | D | -2.9002 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -3.0114 | |
| 139 | E | D | -3.5152 | |
| 140 | R | D | -3.6282 | |
| 141 | G | D | -2.5179 | |
| 142 | K | D | -2.1613 | |
| 143 | T | D | -0.9165 | |
| 144 | F | D | 0.0000 | |
| 145 | I | D | 0.0000 | |
| 146 | L | D | 0.0000 | |
| 147 | N | D | 0.0000 | |
| 148 | L | D | 0.0000 | |
| 149 | Y | D | 0.0000 | |
| 150 | H | D | 0.0000 | |
| 151 | W | D | 0.1266 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.2401 | |
| 156 | W | D | 0.0473 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.1986 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | -0.1357 | |
| 162 | A | D | -0.7072 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -0.4425 | |
| 165 | K | D | -0.7432 | |
| 166 | L | D | -0.4227 | |
| 167 | G | D | -0.8725 | |
| 168 | P | D | -1.6311 | |
| 169 | D | D | -2.7277 | |
| 170 | R | D | -2.5448 | |
| 171 | A | D | -1.4415 | |
| 172 | P | D | -1.1811 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -3.0276 | |
| 178 | E | D | -2.8872 | |
| 179 | K | D | -2.1451 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.6564 | |
| 183 | E | D | 0.0000 | |
| 184 | F | D | 0.0000 | |
| 185 | V | D | 0.0000 | |
| 186 | K | D | 0.0000 | |
| 187 | F | D | 0.0000 | |
| 188 | A | D | 0.0000 | |
| 189 | A | D | 0.0000 | |
| 190 | F | D | 0.0000 | |
| 191 | V | D | 0.0000 | |
| 192 | A | D | 0.0000 | |
| 193 | Y | D | 0.7153 | |
| 194 | H | D | -0.1586 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.3987 | |
| 197 | D | D | -2.0897 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.1449 | |
| 201 | M | D | -0.6721 | |
| 202 | W | D | 0.0000 | |
| 203 | S | D | 0.0000 | |
| 204 | T | D | 0.0000 | |
| 205 | M | D | 0.0000 | |
| 206 | N | D | -0.1495 | |
| 207 | E | D | -0.1439 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.5734 | |
| 210 | V | D | -0.0162 | |
| 211 | V | D | 0.0403 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -0.4851 | |
| 214 | Q | D | -0.5645 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.0675 | |
| 218 | N | D | -0.8287 | |
| 219 | L | D | -0.9267 | |
| 220 | R | D | -2.0166 | |
| 221 | S | D | -0.7411 | |
| 222 | G | D | -0.2400 | |
| 223 | F | D | 0.0914 | |
| 224 | P | D | 0.0917 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.2333 | |
| 227 | Y | D | 0.1664 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | 0.0000 | |
| 230 | F | D | -0.8938 | |
| 231 | E | D | -2.4880 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -2.9452 | |
| 235 | K | D | -3.0572 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.5204 | |
| 238 | F | D | -0.8968 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.0000 | |
| 242 | Q | D | 0.0000 | |
| 243 | A | D | 0.0000 | |
| 244 | H | D | 0.0000 | |
| 245 | I | D | 0.2028 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | -0.5155 | |
| 249 | D | D | -1.0341 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.1441 | |
| 253 | E | D | -2.5104 | |
| 254 | Y | D | -0.9683 | |
| 255 | S | D | -1.7419 | |
| 256 | E | D | -2.5691 | |
| 257 | K | D | -1.7406 | |
| 258 | S | D | -0.9657 | |
| 259 | V | D | 0.0000 | |
| 260 | G | D | 0.0000 | |
| 261 | V | D | 0.0000 | |
| 262 | I | D | 0.0000 | |
| 263 | Y | D | 0.0000 | |
| 264 | A | D | -0.1795 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.0321 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.2617 | |
| 270 | P | D | -1.0203 | |
| 271 | L | D | 0.6972 | |
| 272 | A | D | -0.9698 | |
| 273 | E | D | -3.0650 | |
| 274 | E | D | -3.5285 | |
| 275 | Y | D | -3.2637 | |
| 276 | K | D | -4.6123 | |
| 277 | D | D | -4.8119 | |
| 278 | E | D | -4.4978 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -4.3723 | |
| 281 | E | D | -3.9624 | |
| 282 | I | D | -2.7360 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.7271 | |
| 285 | K | D | -3.6636 | |
| 286 | D | D | -2.8514 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.5419 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.2346 | |
| 292 | I | D | -0.5379 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.4853 | |
| 295 | S | D | -1.1706 | |
| 296 | K | D | -1.9556 | |
| 297 | G | D | -1.6284 | |
| 298 | K | D | -1.3413 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.7499 | |
| 301 | W | D | 0.0000 | |
| 302 | I | D | 0.0000 | |
| 303 | G | D | 0.0000 | |
| 304 | V | D | 0.0000 | |
| 305 | N | D | 0.0000 | |
| 306 | Y | D | 0.0000 | |
| 307 | Y | D | 0.2635 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0000 | |
| 310 | L | D | 0.6401 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.3556 | |
| 315 | K | D | -2.9260 | |
| 316 | D | D | -3.0964 | |
| 317 | G | D | -2.5892 | |
| 318 | H | D | -2.2112 | |
| 319 | L | D | -0.8719 | |
| 320 | V | D | 0.0073 | |
| 321 | P | D | 0.5891 | |
| 322 | L | D | 0.6642 | |
| 323 | P | D | -0.2889 | |
| 324 | G | D | -0.8777 | |
| 325 | Y | D | -0.1521 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.5752 | |
| 328 | M | D | 0.1124 | |
| 329 | S | D | -1.0952 | |
| 330 | E | D | -2.5024 | |
| 331 | R | D | -2.6476 | |
| 332 | G | D | -1.5862 | |
| 333 | G | D | -1.6251 | |
| 334 | F | D | -1.1652 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.1138 | |
| 337 | S | D | -1.1886 | |
| 338 | G | D | 0.0000 | |
| 339 | R | D | -1.1205 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.7456 | |
| 344 | F | D | -0.7143 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.0712 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.4505 | |
| 350 | P | D | -1.2371 | |
| 351 | E | D | -2.2060 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.5715 | |
| 355 | N | D | -1.5274 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -1.9240 | |
| 359 | Y | D | -1.0096 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -1.9201 | |
| 362 | N | D | -2.0341 | |
| 363 | A | D | -1.1470 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.4659 | |
| 366 | L | D | 0.0000 | |
| 367 | P | D | -0.9454 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | -0.2040 | |
| 373 | N | D | 0.0000 | |
| 374 | G | D | 0.0000 | |
| 375 | M | D | 0.0000 | |
| 376 | A | D | 0.0000 | |
| 377 | D | D | 0.0000 | |
| 378 | A | D | -0.4591 | |
| 379 | A | D | -0.1881 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.4195 | |
| 382 | Y | D | 0.0000 | |
| 383 | R | D | 0.0000 | |
| 384 | P | D | 0.0000 | |
| 385 | H | D | 0.0000 | |
| 386 | Y | D | 0.0000 | |
| 387 | L | D | 0.0000 | |
| 388 | V | D | 0.0000 | |
| 389 | S | D | 0.0000 | |
| 390 | H | D | 0.0000 | |
| 391 | L | D | 0.0000 | |
| 392 | K | D | -1.1984 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.2270 | |
| 396 | N | D | -1.7644 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | 0.0000 | |
| 399 | K | D | -2.8825 | |
| 400 | E | D | -3.1002 | |
| 401 | G | D | -2.3780 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -1.8016 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.3676 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.0000 | |
| 411 | S | D | 0.0000 | |
| 412 | L | D | 0.0000 | |
| 413 | T | D | 0.0000 | |
| 414 | D | D | 0.0000 | |
| 415 | N | D | 0.0000 | |
| 416 | Y | D | 0.0000 | |
| 417 | E | D | -0.5286 | |
| 418 | W | D | 0.0473 | |
| 419 | A | D | -0.3124 | |
| 420 | Q | D | -0.7762 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.8427 | |
| 423 | R | D | -1.8911 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.6441 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | 0.0000 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.5785 | |
| 433 | F | D | -1.6538 | |
| 434 | E | D | -2.4314 | |
| 435 | T | D | -1.6801 | |
| 436 | K | D | -1.5763 | |
| 437 | K | D | -2.0171 | |
| 438 | R | D | 0.0000 | |
| 439 | Y | D | 0.0000 | |
| 440 | L | D | -0.2545 | |
| 441 | R | D | 0.0000 | |
| 442 | P | D | 0.0000 | |
| 443 | S | D | 0.0000 | |
| 444 | A | D | 0.0000 | |
| 445 | L | D | -0.4014 | |
| 446 | V | D | 0.0000 | |
| 447 | F | D | 0.0000 | |
| 448 | R | D | -2.1689 | |
| 449 | E | D | -1.8668 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.7640 | |
| 453 | Q | D | -2.3147 | |
| 454 | K | D | -3.0889 | |
| 455 | E | D | -2.2146 | |
| 456 | I | D | -1.5523 | |
| 457 | P | D | -1.9729 | |
| 458 | E | D | -2.5036 | |
| 459 | E | D | -2.4081 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.5808 | |
| 462 | H | D | -1.5705 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -1.4086 | |
| 465 | D | D | -2.2316 | |
| 466 | L | D | -1.4255 | |
| 467 | K | D | -2.2372 | |
| 468 | F | D | -1.0102 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.3473 | |
| 471 | R | D | -2.2445 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.6649 | 2.6051 | View | CSV | PDB |
| 4.5 | -0.7437 | 2.4921 | View | CSV | PDB |
| 5.0 | -0.8426 | 2.4865 | View | CSV | PDB |
| 5.5 | -0.9434 | 2.4798 | View | CSV | PDB |
| 6.0 | -1.0257 | 2.4728 | View | CSV | PDB |
| 6.5 | -1.0728 | 2.4656 | View | CSV | PDB |
| 7.0 | -1.0818 | 2.4583 | View | CSV | PDB |
| 7.5 | -1.0633 | 2.4511 | View | CSV | PDB |
| 8.0 | -1.0295 | 2.4439 | View | CSV | PDB |
| 8.5 | -0.9856 | 2.437 | View | CSV | PDB |
| 9.0 | -0.9327 | 2.4307 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine