| 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. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:01:55)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/eaed843f70073e5/tmp/folded.pdb (01:01:55)
[INFO] Main: Simulation completed successfully. (01:53:27)
|
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 | -1.3499 | |
| 2 | K | A | -2.4219 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.2009 | |
| 5 | K | A | -2.9466 | |
| 6 | N | A | -2.4580 | |
| 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 | -0.1371 | |
| 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 | -0.4254 | |
| 23 | P | A | -0.7975 | |
| 24 | G | A | -0.8622 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -1.3515 | |
| 27 | V | A | -1.0278 | |
| 28 | E | A | -1.5728 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.3303 | |
| 33 | V | A | 0.0534 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.6419 | |
| 37 | D | A | -0.9594 | |
| 38 | K | A | -1.5987 | |
| 39 | E | A | 0.0000 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.0862 | |
| 42 | A | A | -0.1149 | |
| 43 | S | A | -0.6892 | |
| 44 | G | A | -0.5740 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.4095 | |
| 48 | G | A | -0.3083 | |
| 49 | D | A | -0.2264 | |
| 50 | L | A | 0.6164 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -0.6218 | |
| 53 | N | A | -1.0245 | |
| 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 | -0.8213 | |
| 60 | L | A | -0.7439 | |
| 61 | Y | A | -1.3241 | |
| 62 | K | A | -2.5577 | |
| 63 | Q | A | -2.4699 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -3.3947 | |
| 67 | I | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.8999 | |
| 70 | K | A | -2.3449 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.6868 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.0169 | |
| 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 | -0.2156 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | R | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -1.1226 | |
| 88 | K | A | -1.5540 | |
| 89 | P | A | -0.8567 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -1.1250 | |
| 92 | D | A | -2.1160 | |
| 93 | V | A | 0.0000 | |
| 94 | K | A | -2.5500 | |
| 95 | V | A | 0.0000 | |
| 96 | D | A | -3.1437 | |
| 97 | V | A | 0.0000 | |
| 98 | E | A | -3.2457 | |
| 99 | K | A | -3.7525 | |
| 100 | D | A | -4.1193 | |
| 101 | E | A | -4.1905 | |
| 102 | E | A | -3.6104 | |
| 103 | G | A | -3.0463 | |
| 104 | N | A | -1.9450 | |
| 105 | I | A | -1.1613 | |
| 106 | I | A | 0.0014 | |
| 107 | S | A | -1.1720 | |
| 108 | V | A | -1.8441 | |
| 109 | D | A | -2.7549 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -1.9333 | |
| 112 | E | A | -2.4198 | |
| 113 | S | A | -2.0669 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.2184 | |
| 117 | E | A | -2.9919 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.0322 | |
| 120 | K | A | -2.2302 | |
| 121 | I | A | -0.6656 | |
| 122 | A | A | -0.9924 | |
| 123 | N | A | -1.4357 | |
| 124 | M | A | -1.5363 | |
| 125 | E | A | -2.5420 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.1445 | |
| 129 | H | A | -2.2689 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.4789 | |
| 132 | K | A | -2.7172 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -2.2889 | |
| 136 | D | A | -2.2907 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -3.5438 | |
| 139 | E | A | -3.1306 | |
| 140 | R | A | -2.7461 | |
| 141 | G | A | -2.2191 | |
| 142 | K | A | -2.0220 | |
| 143 | T | A | -1.0611 | |
| 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 | -0.1766 | |
| 151 | W | A | 0.0153 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.0698 | |
| 156 | W | A | -0.0903 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.4706 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.1884 | |
| 162 | A | A | -0.1634 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.3474 | |
| 166 | L | A | -0.5631 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.3743 | |
| 169 | D | A | -2.0927 | |
| 170 | R | A | -1.4894 | |
| 171 | A | A | -1.0523 | |
| 172 | P | A | -0.9131 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.3312 | |
| 178 | E | A | -2.8043 | |
| 179 | K | A | -2.2825 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -1.0309 | |
| 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 | 0.2974 | |
| 194 | H | A | -0.3176 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.3334 | |
| 197 | D | A | -1.8164 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.6397 | |
| 201 | M | A | -0.5569 | |
| 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 | -0.1621 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.5806 | |
| 210 | V | A | -0.1803 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | N | A | -0.9070 | |
| 214 | Q | A | -0.9828 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.4962 | |
| 218 | N | A | -1.2000 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -2.5975 | |
| 221 | S | A | -1.5426 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.3441 | |
| 227 | Y | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | -0.8222 | |
| 230 | F | A | -0.8321 | |
| 231 | E | A | -2.2912 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.7728 | |
| 235 | K | A | -2.5007 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.4913 | |
| 238 | F | A | -0.8502 | |
| 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 | -0.7302 | |
| 249 | D | A | -1.5664 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.2093 | |
| 253 | E | A | -2.6395 | |
| 254 | Y | A | -1.3361 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.5321 | |
| 257 | K | A | -1.7012 | |
| 258 | S | A | -0.9603 | |
| 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 | 0.0067 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0183 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.3279 | |
| 270 | P | A | -1.1545 | |
| 271 | L | A | 0.3111 | |
| 272 | A | A | -1.1156 | |
| 273 | E | A | -3.2064 | |
| 274 | E | A | -3.3217 | |
| 275 | Y | A | -3.1028 | |
| 276 | K | A | -3.9772 | |
| 277 | D | A | -4.4297 | |
| 278 | E | A | -4.1600 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -4.2114 | |
| 281 | E | A | -4.4260 | |
| 282 | I | A | -2.9667 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.8001 | |
| 285 | K | A | -3.7995 | |
| 286 | D | A | -2.9908 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.3056 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -0.9259 | |
| 292 | I | A | -0.3196 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.1187 | |
| 295 | S | A | -0.8156 | |
| 296 | K | A | -1.2796 | |
| 297 | G | A | -1.2211 | |
| 298 | K | A | -1.0889 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.7389 | |
| 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 | 0.3345 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.1071 | |
| 310 | L | A | 0.4863 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.3469 | |
| 315 | K | A | -2.6533 | |
| 316 | D | A | -3.0501 | |
| 317 | G | A | -2.1928 | |
| 318 | H | A | -1.8512 | |
| 319 | L | A | -0.9014 | |
| 320 | V | A | -0.4909 | |
| 321 | P | A | 0.0707 | |
| 322 | L | A | 0.2761 | |
| 323 | P | A | -0.2321 | |
| 324 | G | A | 0.0000 | |
| 325 | Y | A | -0.2809 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.9213 | |
| 328 | M | A | 0.1892 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -2.6440 | |
| 331 | R | A | -2.6048 | |
| 332 | G | A | -1.5859 | |
| 333 | G | A | -1.3462 | |
| 334 | F | A | -1.1948 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -1.9033 | |
| 337 | S | A | -1.1310 | |
| 338 | G | A | -1.5130 | |
| 339 | R | A | -1.0759 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.2979 | |
| 344 | F | A | -0.4557 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.1182 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.0821 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.3291 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.7261 | |
| 355 | N | A | -1.9063 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.2700 | |
| 359 | Y | A | -1.2183 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -1.9278 | |
| 362 | N | A | -2.0578 | |
| 363 | A | A | -1.1987 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.4321 | |
| 366 | L | A | -1.1584 | |
| 367 | P | A | -1.1049 | |
| 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 | -0.4428 | |
| 379 | A | A | -0.2157 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.5276 | |
| 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 | -0.9404 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.1999 | |
| 396 | N | A | -1.8267 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.0217 | |
| 399 | K | A | -2.7560 | |
| 400 | E | A | -3.2643 | |
| 401 | G | A | -2.3832 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.0498 | |
| 404 | V | A | -1.1227 | |
| 405 | R | A | -1.9772 | |
| 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 | -0.6901 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | -0.5476 | |
| 420 | Q | A | -1.1613 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.8237 | |
| 423 | R | A | -1.9389 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.5331 | |
| 426 | F | A | 0.0000 | |
| 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 | -1.6607 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -2.4413 | |
| 435 | T | A | -1.7945 | |
| 436 | K | A | -1.7498 | |
| 437 | K | A | -2.4609 | |
| 438 | R | A | -1.3751 | |
| 439 | Y | A | 0.0000 | |
| 440 | L | A | -0.4295 | |
| 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 | -1.6245 | |
| 449 | E | A | -1.6209 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.7854 | |
| 453 | Q | A | -2.3325 | |
| 454 | K | A | -2.4569 | |
| 455 | E | A | -2.3796 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | -1.8368 | |
| 458 | E | A | -2.3747 | |
| 459 | E | A | -1.7478 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.0628 | |
| 462 | H | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -0.6462 | |
| 465 | D | A | -1.1748 | |
| 466 | L | A | -0.9832 | |
| 467 | K | A | -1.9222 | |
| 468 | F | A | -0.7258 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.4587 | |
| 471 | R | A | -2.0722 | |
| 1 | A | B | -1.2031 | |
| 2 | K | B | -2.3154 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -1.9579 | |
| 5 | K | B | -2.7208 | |
| 6 | N | B | -2.3070 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -0.9038 | |
| 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 | -0.3455 | |
| 23 | P | B | -0.8742 | |
| 24 | G | B | -1.0907 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.5017 | |
| 27 | V | B | 0.0000 | |
| 28 | E | B | -2.0034 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.3564 | |
| 33 | V | B | 0.0325 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.3582 | |
| 37 | D | B | -0.8923 | |
| 38 | K | B | -1.6226 | |
| 39 | E | B | -0.7401 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.2108 | |
| 42 | A | B | -0.3789 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.7671 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.5899 | |
| 48 | G | B | -0.7972 | |
| 49 | D | B | -0.8195 | |
| 50 | L | B | 0.4105 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.3699 | |
| 53 | N | B | -0.9543 | |
| 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 | -0.7476 | |
| 60 | L | B | -0.4591 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.2278 | |
| 63 | Q | B | -2.0533 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -2.2327 | |
| 67 | I | B | -1.6046 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.2708 | |
| 70 | K | B | -2.3531 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.4778 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -0.8853 | |
| 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 | -0.6064 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.3708 | |
| 88 | K | B | -1.7279 | |
| 89 | P | B | -0.9316 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.8557 | |
| 92 | D | B | -2.0460 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.4040 | |
| 95 | V | B | -1.6974 | |
| 96 | D | B | -2.7133 | |
| 97 | V | B | -1.7131 | |
| 98 | E | B | -2.7196 | |
| 99 | K | B | -3.1532 | |
| 100 | D | B | -3.2868 | |
| 101 | E | B | -3.6209 | |
| 102 | E | B | -3.4118 | |
| 103 | G | B | -2.5877 | |
| 104 | N | B | -1.5323 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 0.5803 | |
| 107 | S | B | -0.7165 | |
| 108 | V | B | -1.2881 | |
| 109 | D | B | -2.5726 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -1.4801 | |
| 112 | E | B | -2.1092 | |
| 113 | S | B | -1.8123 | |
| 114 | T | B | -1.8459 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -2.7603 | |
| 117 | E | B | -3.2854 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.2306 | |
| 120 | K | B | -2.5893 | |
| 121 | I | B | -1.9090 | |
| 122 | A | B | 0.0000 | |
| 123 | N | B | -1.6258 | |
| 124 | M | B | -1.6295 | |
| 125 | E | B | -2.5819 | |
| 126 | A | B | -1.8199 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.2183 | |
| 129 | H | B | -2.4317 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.4798 | |
| 132 | K | B | -2.6798 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -1.8467 | |
| 136 | D | B | -2.0610 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.1921 | |
| 139 | E | B | -2.5642 | |
| 140 | R | B | -2.0583 | |
| 141 | G | B | -1.6655 | |
| 142 | K | B | -1.6070 | |
| 143 | T | B | -0.8617 | |
| 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 | 0.0000 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.1453 | |
| 156 | W | B | -0.2514 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.2307 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | -0.0948 | |
| 162 | A | B | -0.6894 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | -0.6291 | |
| 165 | K | B | -1.1632 | |
| 166 | L | B | -0.9916 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.3696 | |
| 169 | D | B | -2.1318 | |
| 170 | R | B | -1.5921 | |
| 171 | A | B | -1.1187 | |
| 172 | P | B | -0.6319 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.2522 | |
| 178 | E | B | -2.7186 | |
| 179 | K | B | -2.3705 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.6586 | |
| 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 | -0.4118 | |
| 194 | H | B | -0.6990 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.5540 | |
| 197 | D | B | -2.1008 | |
| 198 | L | B | -1.6348 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.2164 | |
| 201 | M | B | -0.5419 | |
| 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 | -0.1188 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.4731 | |
| 210 | V | B | -0.2601 | |
| 211 | V | B | 0.0000 | |
| 212 | Y | B | -0.6554 | |
| 213 | N | B | -1.1100 | |
| 214 | Q | B | -1.1223 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.5191 | |
| 218 | N | B | -1.4858 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -2.5471 | |
| 221 | S | B | -1.4974 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.5285 | |
| 227 | Y | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -0.6625 | |
| 231 | E | B | -2.2896 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | -1.3563 | |
| 234 | E | B | -2.2976 | |
| 235 | K | B | -2.0134 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -0.7960 | |
| 238 | F | B | 0.5855 | |
| 239 | N | B | -0.5345 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | 0.1891 | |
| 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 | 0.0000 | |
| 249 | D | B | -1.6408 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -3.0074 | |
| 253 | E | B | -3.0430 | |
| 254 | Y | B | -1.7571 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.8127 | |
| 257 | K | B | -1.7708 | |
| 258 | S | B | -1.0882 | |
| 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 | 0.0037 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.1129 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.3524 | |
| 270 | P | B | -0.9427 | |
| 271 | L | B | 0.7171 | |
| 272 | A | B | -0.8703 | |
| 273 | E | B | -3.1415 | |
| 274 | E | B | -3.3182 | |
| 275 | Y | B | -2.9332 | |
| 276 | K | B | -3.9896 | |
| 277 | D | B | -4.5604 | |
| 278 | E | B | -4.0899 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.2644 | |
| 281 | E | B | -4.4060 | |
| 282 | I | B | -2.9007 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -3.9765 | |
| 285 | K | B | -3.9945 | |
| 286 | D | B | -2.8477 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.8446 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.2288 | |
| 292 | I | B | -0.4573 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.2368 | |
| 295 | S | B | -0.9905 | |
| 296 | K | B | -1.7218 | |
| 297 | G | B | -1.3388 | |
| 298 | K | B | -1.0322 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.5698 | |
| 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 | 0.3810 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.0000 | |
| 310 | L | B | 0.5506 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.1211 | |
| 315 | K | B | -2.8517 | |
| 316 | D | B | -3.0661 | |
| 317 | G | B | -2.2206 | |
| 318 | H | B | -2.0744 | |
| 319 | L | B | -0.8824 | |
| 320 | V | B | -0.4120 | |
| 321 | P | B | 0.6053 | |
| 322 | L | B | 0.4707 | |
| 323 | P | B | -0.2451 | |
| 324 | G | B | -0.5866 | |
| 325 | Y | B | -0.1332 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 1.1502 | |
| 328 | M | B | 0.5008 | |
| 329 | S | B | -0.8169 | |
| 330 | E | B | -2.1372 | |
| 331 | R | B | -2.0520 | |
| 332 | G | B | -1.2749 | |
| 333 | G | B | -0.9661 | |
| 334 | F | B | -0.8132 | |
| 335 | A | B | -1.0627 | |
| 336 | K | B | -1.8981 | |
| 337 | S | B | -1.1558 | |
| 338 | G | B | -1.2536 | |
| 339 | R | B | -0.7794 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -1.2137 | |
| 344 | F | B | -0.2841 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.3192 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.2089 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.9727 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.8445 | |
| 355 | N | B | -1.6712 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.0550 | |
| 359 | Y | B | -1.0777 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.2059 | |
| 362 | N | B | -2.0164 | |
| 363 | A | B | -1.3918 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.4781 | |
| 366 | L | B | -1.2721 | |
| 367 | P | B | -1.0859 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | 0.0000 | |
| 373 | N | B | 0.0000 | |
| 374 | G | B | 0.0331 | |
| 375 | M | B | 0.0000 | |
| 376 | A | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | A | B | 0.0207 | |
| 379 | A | B | 0.2048 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.4046 | |
| 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 | -1.4061 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.1880 | |
| 396 | N | B | -1.9307 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.1117 | |
| 399 | K | B | -2.8143 | |
| 400 | E | B | -3.1462 | |
| 401 | G | B | -2.5853 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.1886 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.4020 | |
| 406 | G | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | H | B | 0.0000 | |
| 410 | W | B | 0.0000 | |
| 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 | -0.5658 | |
| 418 | W | B | -0.0534 | |
| 419 | A | B | -0.4642 | |
| 420 | Q | B | -1.0235 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.6862 | |
| 423 | R | B | -1.9163 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.4197 | |
| 426 | F | B | 0.0540 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | 0.0000 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.4209 | |
| 433 | F | B | 0.0000 | |
| 434 | E | B | -2.2596 | |
| 435 | T | B | -1.5702 | |
| 436 | K | B | -1.5823 | |
| 437 | K | B | -1.8675 | |
| 438 | R | B | -1.3810 | |
| 439 | Y | B | 0.0000 | |
| 440 | L | B | 0.0000 | |
| 441 | R | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | S | B | 0.0000 | |
| 444 | A | B | 0.0000 | |
| 445 | L | B | 0.0000 | |
| 446 | V | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | R | B | -1.0266 | |
| 449 | E | B | -1.1484 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.1699 | |
| 453 | Q | B | -1.6124 | |
| 454 | K | B | -1.9942 | |
| 455 | E | B | -1.7698 | |
| 456 | I | B | -1.2926 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -2.2505 | |
| 459 | E | B | -1.8703 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.4358 | |
| 462 | H | B | -1.3332 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -1.2705 | |
| 465 | D | B | -2.2557 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -2.0011 | |
| 468 | F | B | -0.6981 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.3474 | |
| 471 | R | B | -2.1181 | |
| 1 | A | C | -1.4805 | |
| 2 | K | C | -2.5043 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.1725 | |
| 5 | K | C | -3.0634 | |
| 6 | N | C | -2.4938 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | 0.0000 | |
| 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 | -0.1033 | |
| 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 | 0.0000 | |
| 22 | L | C | -0.6385 | |
| 23 | P | C | -0.9969 | |
| 24 | G | C | -1.1394 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.2904 | |
| 27 | V | C | -1.4215 | |
| 28 | E | C | -1.4643 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.0937 | |
| 33 | V | C | 0.0075 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.7593 | |
| 37 | D | C | -1.0751 | |
| 38 | K | C | -1.8325 | |
| 39 | E | C | -0.8863 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.5819 | |
| 42 | A | C | -0.4302 | |
| 43 | S | C | -0.8491 | |
| 44 | G | C | -1.1736 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.4885 | |
| 48 | G | C | -0.6640 | |
| 49 | D | C | -0.5810 | |
| 50 | L | C | 0.0803 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -1.5008 | |
| 53 | N | C | -1.3623 | |
| 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 | -1.2335 | |
| 60 | L | C | -0.8824 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.9485 | |
| 63 | Q | C | -2.6229 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -3.0690 | |
| 67 | I | C | 0.0000 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.3909 | |
| 70 | K | C | -2.0430 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.6860 | |
| 73 | M | C | 0.0000 | |
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| 75 | C | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
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| 78 | G | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | I | C | 0.0000 | |
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| 83 | A | C | 0.0000 | |
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| 85 | I | C | 0.0000 | |
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| 87 | P | C | -0.9329 | |
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| 90 | T | C | 0.0000 | |
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| 93 | V | C | 0.0000 | |
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| 95 | V | C | -2.1242 | |
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| 97 | V | C | -1.7853 | |
| 98 | E | C | -2.4382 | |
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| 100 | D | C | -2.9924 | |
| 101 | E | C | -3.4921 | |
| 102 | E | C | -3.3168 | |
| 103 | G | C | -2.6352 | |
| 104 | N | C | -1.5379 | |
| 105 | I | C | -0.4123 | |
| 106 | I | C | 0.8004 | |
| 107 | S | C | -0.7121 | |
| 108 | V | C | -1.5317 | |
| 109 | D | C | -2.9842 | |
| 110 | V | C | -1.9763 | |
| 111 | P | C | -2.1466 | |
| 112 | E | C | -2.5677 | |
| 113 | S | C | -2.1438 | |
| 114 | T | C | 0.0000 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.3333 | |
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| 118 | L | C | 0.0000 | |
| 119 | E | C | -2.4744 | |
| 120 | K | C | -2.7963 | |
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| 122 | A | C | -1.5561 | |
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| 124 | M | C | -1.6655 | |
| 125 | E | C | -2.6040 | |
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| 127 | L | C | 0.0000 | |
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| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.4305 | |
| 132 | K | C | -2.6312 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -2.1061 | |
| 136 | D | C | -2.4981 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -2.6006 | |
| 139 | E | C | -3.2825 | |
| 140 | R | C | -3.4106 | |
| 141 | G | C | -2.3756 | |
| 142 | K | C | -1.8601 | |
| 143 | T | C | -0.7584 | |
| 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 | -0.1225 | |
| 151 | W | C | 0.0509 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | -0.0666 | |
| 156 | W | C | -0.1517 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.3138 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | 0.1282 | |
| 162 | A | C | -0.4206 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | -0.2877 | |
| 165 | K | C | -0.7244 | |
| 166 | L | C | -0.5984 | |
| 167 | G | C | -1.1295 | |
| 168 | P | C | -1.5544 | |
| 169 | D | C | -2.6728 | |
| 170 | R | C | -2.6850 | |
| 171 | A | C | -1.5407 | |
| 172 | P | C | -0.9143 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | D | C | -2.0618 | |
| 178 | E | C | -2.8182 | |
| 179 | K | C | -2.4326 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | -0.6728 | |
| 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 | 0.1236 | |
| 194 | H | C | -0.3946 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.6072 | |
| 197 | D | C | -2.3592 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.1540 | |
| 201 | M | C | -0.5248 | |
| 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 | -0.0875 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.4326 | |
| 210 | V | C | 0.0184 | |
| 211 | V | C | 0.0000 | |
| 212 | Y | C | -0.5886 | |
| 213 | N | C | -0.7161 | |
| 214 | Q | C | -0.7334 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.3699 | |
| 218 | N | C | -1.0421 | |
| 219 | L | C | -1.3295 | |
| 220 | R | C | -2.4378 | |
| 221 | S | C | -1.3338 | |
| 222 | G | C | -0.8781 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.1696 | |
| 227 | Y | C | 0.0104 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | -0.7202 | |
| 230 | F | C | -0.7482 | |
| 231 | E | C | -2.4018 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.9104 | |
| 235 | K | C | -2.5118 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.6195 | |
| 238 | F | C | -0.9517 | |
| 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 | 0.0000 | |
| 249 | D | C | -1.8541 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -3.3131 | |
| 253 | E | C | -3.0931 | |
| 254 | Y | C | -1.4330 | |
| 255 | S | C | -2.1310 | |
| 256 | E | C | -2.9371 | |
| 257 | K | C | -1.9056 | |
| 258 | S | C | -1.0079 | |
| 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 | -0.1357 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.0010 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.3954 | |
| 270 | P | C | -1.1594 | |
| 271 | L | C | 0.0929 | |
| 272 | A | C | -1.1849 | |
| 273 | E | C | -3.1075 | |
| 274 | E | C | -3.2144 | |
| 275 | Y | C | -2.4691 | |
| 276 | K | C | -3.5553 | |
| 277 | D | C | -3.8840 | |
| 278 | E | C | -3.1079 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -3.5417 | |
| 281 | E | C | -3.9726 | |
| 282 | I | C | -2.8249 | |
| 283 | R | C | 0.0000 | |
| 284 | K | C | -3.8337 | |
| 285 | K | C | -3.9069 | |
| 286 | D | C | -3.0031 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.3134 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.2528 | |
| 292 | I | C | -0.6347 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.4365 | |
| 295 | S | C | -1.2777 | |
| 296 | K | C | -2.1404 | |
| 297 | G | C | -1.6300 | |
| 298 | K | C | -1.4426 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.5747 | |
| 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 | 0.3496 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.2117 | |
| 310 | L | C | 0.6918 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.2346 | |
| 315 | K | C | -2.6636 | |
| 316 | D | C | -2.9532 | |
| 317 | G | C | -2.1252 | |
| 318 | H | C | -1.6655 | |
| 319 | L | C | 0.0000 | |
| 320 | V | C | -0.0142 | |
| 321 | P | C | 0.5287 | |
| 322 | L | C | 0.7061 | |
| 323 | P | C | -0.1417 | |
| 324 | G | C | -0.5796 | |
| 325 | Y | C | -0.0432 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 1.2159 | |
| 328 | M | C | 0.5567 | |
| 329 | S | C | 0.0000 | |
| 330 | E | C | -2.5361 | |
| 331 | R | C | -2.6294 | |
| 332 | G | C | -1.6390 | |
| 333 | G | C | -1.2230 | |
| 334 | F | C | -0.5092 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -2.0117 | |
| 337 | S | C | -1.1439 | |
| 338 | G | C | 0.0000 | |
| 339 | R | C | -0.6231 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.8243 | |
| 344 | F | C | -0.7011 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | 0.2985 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.1299 | |
| 350 | P | C | 0.0000 | |
| 351 | E | C | -1.4409 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.5784 | |
| 355 | N | C | -1.7016 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -1.9152 | |
| 359 | Y | C | -1.1095 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -2.1917 | |
| 362 | N | C | -2.0555 | |
| 363 | A | C | -1.2044 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.4183 | |
| 366 | L | C | -1.1421 | |
| 367 | P | C | -1.0493 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1827 | |
| 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 | -0.3465 | |
| 379 | A | C | -0.0344 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.4549 | |
| 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 | -0.9639 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.1570 | |
| 396 | N | C | -1.7830 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.0576 | |
| 399 | K | C | -2.8215 | |
| 400 | E | C | -3.1325 | |
| 401 | G | C | -2.3684 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -1.9372 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -2.1568 | |
| 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 | -0.5967 | |
| 418 | W | C | -0.0388 | |
| 419 | A | C | -0.4571 | |
| 420 | Q | C | -0.9643 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.7960 | |
| 423 | R | C | -2.0323 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | -0.7493 | |
| 426 | F | C | 0.0000 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | -0.2136 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.2387 | |
| 433 | F | C | -1.3468 | |
| 434 | E | C | -2.1844 | |
| 435 | T | C | -1.4356 | |
| 436 | K | C | -1.2523 | |
| 437 | K | C | -1.7483 | |
| 438 | R | C | -1.1773 | |
| 439 | Y | C | -0.8948 | |
| 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 | -2.1592 | |
| 449 | E | C | -1.8374 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.6829 | |
| 453 | Q | C | -2.2320 | |
| 454 | K | C | -2.3729 | |
| 455 | E | C | -2.4680 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | -1.8913 | |
| 458 | E | C | -2.3666 | |
| 459 | E | C | -2.0053 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.3667 | |
| 462 | H | C | -1.3006 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | 0.0000 | |
| 465 | D | C | -1.3186 | |
| 466 | L | C | -1.1376 | |
| 467 | K | C | -1.8877 | |
| 468 | F | C | -0.7815 | |
| 469 | V | C | -0.7347 | |
| 470 | T | C | -1.1646 | |
| 471 | R | C | -2.0283 | |
| 1 | A | D | -1.0868 | |
| 2 | K | D | -2.0629 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -2.0797 | |
| 5 | K | D | -2.9393 | |
| 6 | N | D | -2.5375 | |
| 7 | F | D | 0.0000 | |
| 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 | 0.0000 | |
| 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 | 0.0000 | |
| 22 | L | D | -0.6578 | |
| 23 | P | D | -1.0067 | |
| 24 | G | D | -1.1779 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.4226 | |
| 27 | V | D | 0.0000 | |
| 28 | E | D | -2.0193 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | 0.0000 | |
| 33 | V | D | 0.0959 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.3618 | |
| 37 | D | D | -0.8525 | |
| 38 | K | D | -1.7303 | |
| 39 | E | D | -0.6796 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.1626 | |
| 42 | A | D | -0.2017 | |
| 43 | S | D | -0.4024 | |
| 44 | G | D | -0.7210 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.3575 | |
| 48 | G | D | -0.4497 | |
| 49 | D | D | -0.4855 | |
| 50 | L | D | -0.0080 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -1.8883 | |
| 53 | N | D | -1.7391 | |
| 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 | -0.7493 | |
| 60 | L | D | -0.6178 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.4128 | |
| 63 | Q | D | -2.0864 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -2.5978 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -1.8656 | |
| 70 | K | D | -1.5302 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.3559 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.0529 | |
| 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 | -0.7056 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.3061 | |
| 88 | K | D | -1.6605 | |
| 89 | P | D | -0.8839 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.7299 | |
| 92 | D | D | -2.0852 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.5210 | |
| 95 | V | D | -1.9400 | |
| 96 | D | D | -3.0204 | |
| 97 | V | D | -1.9727 | |
| 98 | E | D | -2.4456 | |
| 99 | K | D | -2.6359 | |
| 100 | D | D | -3.3267 | |
| 101 | E | D | -3.6803 | |
| 102 | E | D | -3.4359 | |
| 103 | G | D | -2.6900 | |
| 104 | N | D | -1.5737 | |
| 105 | I | D | -0.5028 | |
| 106 | I | D | 0.8067 | |
| 107 | S | D | -0.7033 | |
| 108 | V | D | -1.5607 | |
| 109 | D | D | -2.9658 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -1.7858 | |
| 112 | E | D | -1.9024 | |
| 113 | S | D | -1.9635 | |
| 114 | T | D | -2.3618 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.6387 | |
| 117 | E | D | -4.0743 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.7155 | |
| 120 | K | D | -2.9523 | |
| 121 | I | D | -2.0472 | |
| 122 | A | D | 0.0000 | |
| 123 | N | D | -1.5811 | |
| 124 | M | D | -1.4960 | |
| 125 | E | D | -2.6597 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -3.1682 | |
| 129 | H | D | -2.3949 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.5110 | |
| 132 | K | D | -2.7872 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.0708 | |
| 136 | D | D | -2.3782 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.6648 | |
| 139 | E | D | -3.2916 | |
| 140 | R | D | -3.5535 | |
| 141 | G | D | -2.3414 | |
| 142 | K | D | -1.9276 | |
| 143 | T | D | -0.8433 | |
| 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 | 0.0000 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.3344 | |
| 156 | W | D | -0.0501 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.2863 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | -0.0389 | |
| 162 | A | D | -0.4950 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | 0.0000 | |
| 165 | K | D | -0.6555 | |
| 166 | L | D | -0.3868 | |
| 167 | G | D | -1.0591 | |
| 168 | P | D | -1.7458 | |
| 169 | D | D | -2.7026 | |
| 170 | R | D | -2.6403 | |
| 171 | A | D | -1.4887 | |
| 172 | P | D | -1.0159 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.3459 | |
| 178 | E | D | -2.7796 | |
| 179 | K | D | -2.0817 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.7724 | |
| 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 | 0.3033 | |
| 194 | H | D | -0.4150 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.6467 | |
| 197 | D | D | -2.1950 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.4131 | |
| 201 | M | D | -0.7623 | |
| 202 | W | D | 0.0000 | |
| 203 | S | D | 0.0000 | |
| 204 | T | D | 0.0000 | |
| 205 | M | D | 0.0000 | |
| 206 | N | D | 0.0000 | |
| 207 | E | D | -0.0741 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.3387 | |
| 210 | V | D | 0.1983 | |
| 211 | V | D | 0.2584 | |
| 212 | Y | D | -0.3148 | |
| 213 | N | D | -0.4009 | |
| 214 | Q | D | -0.5006 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | 0.0000 | |
| 218 | N | D | -0.7834 | |
| 219 | L | D | -1.2182 | |
| 220 | R | D | -2.2559 | |
| 221 | S | D | -0.9145 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | -0.0900 | |
| 224 | P | D | 0.1385 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.2231 | |
| 227 | Y | D | 0.0638 | |
| 228 | L | D | -0.0796 | |
| 229 | S | D | 0.0000 | |
| 230 | F | D | -0.6401 | |
| 231 | E | D | -2.1677 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -2.4784 | |
| 235 | K | D | -2.3768 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.1323 | |
| 238 | F | D | -0.5764 | |
| 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 | -0.0416 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | -1.0237 | |
| 249 | D | D | -2.3718 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.5970 | |
| 253 | E | D | -2.8644 | |
| 254 | Y | D | -1.4445 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.7016 | |
| 257 | K | D | -1.8098 | |
| 258 | S | D | -0.9984 | |
| 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 | -0.1523 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.0802 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.3215 | |
| 270 | P | D | -0.8302 | |
| 271 | L | D | 0.8666 | |
| 272 | A | D | -0.8957 | |
| 273 | E | D | -3.2449 | |
| 274 | E | D | -3.2463 | |
| 275 | Y | D | -2.8282 | |
| 276 | K | D | -3.7060 | |
| 277 | D | D | -4.1961 | |
| 278 | E | D | -4.0679 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -3.4685 | |
| 281 | E | D | -4.2160 | |
| 282 | I | D | -2.6689 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.6621 | |
| 285 | K | D | -3.6550 | |
| 286 | D | D | -2.8875 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -1.9488 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -0.9954 | |
| 292 | I | D | -0.2698 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.2487 | |
| 295 | S | D | -1.1449 | |
| 296 | K | D | -1.8504 | |
| 297 | G | D | -1.5351 | |
| 298 | K | D | -1.3193 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.6112 | |
| 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 | 0.2569 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0722 | |
| 310 | L | D | 0.5437 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.4550 | |
| 315 | K | D | -2.9209 | |
| 316 | D | D | -3.0904 | |
| 317 | G | D | -2.6559 | |
| 318 | H | D | -2.1967 | |
| 319 | L | D | -0.8289 | |
| 320 | V | D | 0.0881 | |
| 321 | P | D | 0.5743 | |
| 322 | L | D | 0.4955 | |
| 323 | P | D | -0.3224 | |
| 324 | G | D | -0.7739 | |
| 325 | Y | D | -0.3206 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.8177 | |
| 328 | M | D | -0.0856 | |
| 329 | S | D | -1.1935 | |
| 330 | E | D | -2.8183 | |
| 331 | R | D | -2.9940 | |
| 332 | G | D | -2.0966 | |
| 333 | G | D | -1.4535 | |
| 334 | F | D | -1.0131 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.0674 | |
| 337 | S | D | -1.1888 | |
| 338 | G | D | 0.0000 | |
| 339 | R | D | -0.7255 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -2.2137 | |
| 344 | F | D | -1.2664 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | -0.2302 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.1405 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.1318 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.5779 | |
| 355 | N | D | -1.5528 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.0071 | |
| 359 | Y | D | -1.0489 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.2558 | |
| 362 | N | D | -2.0483 | |
| 363 | A | D | -1.2016 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.2729 | |
| 366 | L | D | -1.0475 | |
| 367 | P | D | -1.0391 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | -0.1676 | |
| 373 | N | D | 0.0000 | |
| 374 | G | D | -0.0560 | |
| 375 | M | D | 0.0000 | |
| 376 | A | D | 0.0000 | |
| 377 | D | D | 0.0000 | |
| 378 | A | D | -0.4477 | |
| 379 | A | D | 0.0000 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.2984 | |
| 382 | Y | D | -0.0288 | |
| 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 | -0.7234 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.0156 | |
| 396 | N | D | -1.7288 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.0833 | |
| 399 | K | D | -2.8078 | |
| 400 | E | D | -3.1883 | |
| 401 | G | D | -2.4569 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.0865 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -2.2307 | |
| 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 | -0.5176 | |
| 418 | W | D | 0.0245 | |
| 419 | A | D | -0.5756 | |
| 420 | Q | D | -0.8206 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.7955 | |
| 423 | R | D | -1.9693 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.7362 | |
| 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 | -1.1925 | |
| 433 | F | D | 0.0000 | |
| 434 | E | D | -2.3428 | |
| 435 | T | D | -1.4291 | |
| 436 | K | D | -1.3004 | |
| 437 | K | D | -1.4727 | |
| 438 | R | D | 0.0000 | |
| 439 | Y | D | -0.8020 | |
| 440 | L | D | 0.0000 | |
| 441 | R | D | 0.0000 | |
| 442 | P | D | 0.0000 | |
| 443 | S | D | 0.0000 | |
| 444 | A | D | 0.0000 | |
| 445 | L | D | -0.4892 | |
| 446 | V | D | 0.0000 | |
| 447 | F | D | 0.0000 | |
| 448 | R | D | -1.8128 | |
| 449 | E | D | -1.4222 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.4203 | |
| 453 | Q | D | -1.9450 | |
| 454 | K | D | -2.3767 | |
| 455 | E | D | -1.7958 | |
| 456 | I | D | -1.1702 | |
| 457 | P | D | 0.0000 | |
| 458 | E | D | -2.0799 | |
| 459 | E | D | -1.5491 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.0310 | |
| 462 | H | D | -1.0240 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -0.5792 | |
| 465 | D | D | -0.6505 | |
| 466 | L | D | -0.4744 | |
| 467 | K | D | -1.0839 | |
| 468 | F | D | 0.7947 | |
| 469 | V | D | 0.1568 | |
| 470 | T | D | -0.7225 | |
| 471 | R | D | -1.7990 |
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 | -0.6534 | 3.2667 | View | CSV | PDB |
| 4.5 | -0.7292 | 3.227 | View | CSV | PDB |
| 5.0 | -0.8242 | 3.1719 | View | CSV | PDB |
| 5.5 | -0.9205 | 3.1106 | View | CSV | PDB |
| 6.0 | -0.9983 | 3.0526 | View | CSV | PDB |
| 6.5 | -1.0416 | 3.0076 | View | CSV | PDB |
| 7.0 | -1.0472 | 2.9812 | View | CSV | PDB |
| 7.5 | -1.0261 | 2.9697 | View | CSV | PDB |
| 8.0 | -0.9905 | 2.9656 | View | CSV | PDB |
| 8.5 | -0.9455 | 2.9642 | View | CSV | PDB |
| 9.0 | -0.8919 | 3.0367 | 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