| Chain sequence(s) |
A: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR
C: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR B: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR D: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR input PDB |
| Selected Chain(s) | A,B,C,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 (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:55:23)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/422319654586bfd/tmp/folded.pdb (00:55:23)
[INFO] Main: Simulation completed successfully. (01:34:21)
|
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 | -1.4026 | |
| 2 | K | A | -2.2743 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.0758 | |
| 5 | K | A | -2.8907 | |
| 6 | N | A | -2.3706 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -0.8883 | |
| 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 | 0.0000 | |
| 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 | -0.6574 | |
| 23 | P | A | -1.0810 | |
| 24 | G | A | -1.0234 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.4128 | |
| 27 | V | A | -1.5120 | |
| 28 | E | A | -1.8500 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | 0.0000 | |
| 33 | V | A | -0.5650 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -1.6368 | |
| 37 | D | A | -1.3029 | |
| 38 | K | A | -1.7814 | |
| 39 | E | A | 0.0000 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.4122 | |
| 42 | A | A | -0.2360 | |
| 43 | S | A | 0.0000 | |
| 44 | G | A | -0.5689 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.7543 | |
| 48 | G | A | -1.0427 | |
| 49 | D | A | -1.4439 | |
| 50 | L | A | -1.0668 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -2.2230 | |
| 53 | N | A | -1.6291 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | W | A | -0.3289 | |
| 59 | H | A | -0.9673 | |
| 60 | L | A | -0.8374 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.2243 | |
| 63 | Q | A | -2.3158 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.5931 | |
| 67 | I | A | -1.5697 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.4014 | |
| 70 | K | A | -1.9484 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.4439 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -0.9907 | |
| 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 | 0.0000 | |
| 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 | -0.8251 | |
| 88 | K | A | -0.9850 | |
| 89 | P | A | -0.5688 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.6085 | |
| 92 | D | A | -2.0202 | |
| 93 | V | A | 0.0000 | |
| 94 | K | A | -2.4780 | |
| 95 | V | A | -2.0285 | |
| 96 | D | A | -2.9493 | |
| 97 | V | A | -2.0784 | |
| 98 | E | A | -2.8654 | |
| 99 | K | A | -3.5517 | |
| 100 | D | A | -3.7321 | |
| 101 | E | A | -3.9125 | |
| 102 | E | A | -3.7730 | |
| 103 | G | A | -3.2856 | |
| 104 | N | A | -2.1945 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.1104 | |
| 107 | S | A | -0.7011 | |
| 108 | V | A | -1.3184 | |
| 109 | D | A | -2.5324 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -1.9756 | |
| 112 | E | A | -2.5727 | |
| 113 | S | A | -2.0231 | |
| 114 | T | A | -2.3127 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.6409 | |
| 117 | E | A | -3.7452 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.8955 | |
| 120 | K | A | -2.9640 | |
| 121 | I | A | -1.7794 | |
| 122 | A | A | -1.5276 | |
| 123 | N | A | -1.6386 | |
| 124 | M | A | -1.7246 | |
| 125 | E | A | -2.4868 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.0576 | |
| 129 | H | A | -2.2118 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.1333 | |
| 132 | K | A | -2.4110 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.8459 | |
| 136 | D | A | -2.0171 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -1.9274 | |
| 139 | E | A | -2.5729 | |
| 140 | R | A | -2.1995 | |
| 141 | G | A | -1.6938 | |
| 142 | K | A | -1.2948 | |
| 143 | T | A | -0.5950 | |
| 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 | 0.0000 | |
| 151 | W | A | 0.1109 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | 0.1756 | |
| 156 | W | A | 0.2007 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.3733 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.0211 | |
| 162 | A | A | -0.2185 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.4643 | |
| 166 | L | A | -0.4726 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.2424 | |
| 169 | D | A | -2.4845 | |
| 170 | R | A | -1.8132 | |
| 171 | A | A | -1.1611 | |
| 172 | P | A | -1.0614 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.0023 | |
| 178 | E | A | -3.0615 | |
| 179 | K | A | -1.7256 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.9434 | |
| 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 | -0.1303 | |
| 194 | H | A | -0.5007 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.5907 | |
| 197 | D | A | -2.0425 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.1766 | |
| 201 | M | A | -0.6828 | |
| 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 | -0.1823 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.7612 | |
| 210 | V | A | -0.2863 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | N | A | -0.6041 | |
| 214 | Q | A | -0.7454 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | 0.3799 | |
| 218 | N | A | -0.3626 | |
| 219 | L | A | -0.5618 | |
| 220 | R | A | -1.2000 | |
| 221 | S | A | -0.7916 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.1557 | |
| 227 | Y | A | 0.1771 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | 0.5241 | |
| 231 | E | A | -1.7382 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.4505 | |
| 235 | K | A | -2.1638 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.4712 | |
| 238 | F | A | -0.7454 | |
| 239 | N | A | -0.8852 | |
| 240 | L | A | 0.0000 | |
| 241 | I | A | 0.1856 | |
| 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 | 0.0000 | |
| 249 | D | A | -2.0496 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.1035 | |
| 253 | E | A | -2.2767 | |
| 254 | Y | A | -1.1751 | |
| 255 | S | A | -1.8769 | |
| 256 | E | A | -2.5338 | |
| 257 | K | A | -1.7227 | |
| 258 | S | A | -1.0481 | |
| 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 | -0.0411 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.1193 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.3264 | |
| 270 | P | A | -1.1274 | |
| 271 | L | A | 0.5241 | |
| 272 | A | A | -1.0105 | |
| 273 | E | A | -3.0408 | |
| 274 | E | A | -3.3355 | |
| 275 | Y | A | -2.7214 | |
| 276 | K | A | -3.9885 | |
| 277 | D | A | -4.4102 | |
| 278 | E | A | -3.9496 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -3.7693 | |
| 281 | E | A | -4.3749 | |
| 282 | I | A | -3.1698 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -4.0544 | |
| 285 | K | A | -4.1147 | |
| 286 | D | A | -3.5950 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -3.0011 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.1110 | |
| 292 | I | A | -0.3034 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.1572 | |
| 295 | S | A | -1.0699 | |
| 296 | K | A | -1.8941 | |
| 297 | G | A | -1.5197 | |
| 298 | K | A | -1.3053 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.7066 | |
| 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 | 0.0000 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.1338 | |
| 310 | L | A | 0.6968 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.0992 | |
| 315 | K | A | -2.6392 | |
| 316 | D | A | -3.0172 | |
| 317 | G | A | -2.0678 | |
| 318 | H | A | -1.6185 | |
| 319 | L | A | -0.4081 | |
| 320 | V | A | 1.1351 | |
| 321 | P | A | 1.0516 | |
| 322 | L | A | 0.8478 | |
| 323 | P | A | -0.3595 | |
| 324 | G | A | -0.5224 | |
| 325 | Y | A | 0.0129 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.7911 | |
| 328 | M | A | 0.2115 | |
| 329 | S | A | -0.8769 | |
| 330 | E | A | -2.3907 | |
| 331 | R | A | -2.5783 | |
| 332 | G | A | -1.4002 | |
| 333 | G | A | -0.6987 | |
| 334 | F | A | 0.3601 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -1.6937 | |
| 337 | S | A | -0.7688 | |
| 338 | G | A | -0.6199 | |
| 339 | R | A | -0.2032 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.6701 | |
| 344 | F | A | -0.8967 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.0606 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.0845 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -0.8895 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.2551 | |
| 355 | N | A | -1.2020 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.2509 | |
| 359 | Y | A | -1.1700 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.1913 | |
| 362 | N | A | -2.0358 | |
| 363 | A | A | -1.3780 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.5153 | |
| 366 | L | A | -1.3492 | |
| 367 | P | A | -1.1203 | |
| 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 | -0.3179 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.6578 | |
| 382 | Y | A | -0.1662 | |
| 383 | R | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | H | A | -0.1626 | |
| 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 | -0.9062 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.2105 | |
| 396 | N | A | -1.6914 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.1693 | |
| 399 | K | A | -2.9493 | |
| 400 | E | A | -3.1523 | |
| 401 | G | A | -2.7214 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.3332 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.5337 | |
| 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 | -0.6105 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | -0.5074 | |
| 420 | Q | A | -1.0386 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.7996 | |
| 423 | R | A | -1.9312 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.5837 | |
| 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 | -1.4024 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -2.2854 | |
| 435 | T | A | -1.5641 | |
| 436 | K | A | 0.0000 | |
| 437 | K | A | -2.0956 | |
| 438 | R | A | -1.0611 | |
| 439 | Y | A | -0.7980 | |
| 440 | L | A | 0.0000 | |
| 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 | -0.9193 | |
| 449 | E | A | -0.6185 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.0424 | |
| 453 | Q | A | -1.5219 | |
| 454 | K | A | -1.8430 | |
| 455 | E | A | -1.8515 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | -1.6834 | |
| 458 | E | A | -2.3421 | |
| 459 | E | A | -2.0824 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.1835 | |
| 462 | H | A | -1.2466 | |
| 463 | L | A | -0.4604 | |
| 464 | A | A | 0.0000 | |
| 465 | D | A | -1.5053 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -1.4997 | |
| 468 | F | A | 0.1571 | |
| 469 | V | A | 0.0183 | |
| 470 | T | A | -0.2777 | |
| 1 | A | B | -0.8711 | |
| 2 | K | B | -2.2592 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -1.9825 | |
| 5 | K | B | -2.7414 | |
| 6 | N | B | -2.4255 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | 0.0000 | |
| 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 | -0.0318 | |
| 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 | -0.5312 | |
| 23 | P | B | -0.8927 | |
| 24 | G | B | -1.0651 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.4398 | |
| 27 | V | B | -1.5799 | |
| 28 | E | B | -1.8232 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | 0.0000 | |
| 33 | V | B | -0.3081 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -1.6002 | |
| 37 | D | B | -1.5555 | |
| 38 | K | B | -2.0992 | |
| 39 | E | B | -0.7425 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.6452 | |
| 42 | A | B | -0.3374 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.6465 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.7945 | |
| 48 | G | B | -1.1552 | |
| 49 | D | B | -1.1780 | |
| 50 | L | B | -1.0692 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -2.3007 | |
| 53 | N | B | -1.7432 | |
| 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 | -0.7531 | |
| 60 | L | B | -0.8638 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.1621 | |
| 63 | Q | B | -2.4998 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -3.0478 | |
| 67 | I | B | -1.7618 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.3299 | |
| 70 | K | B | -2.0703 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.3759 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -0.9654 | |
| 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 | 0.0000 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -0.8455 | |
| 88 | K | B | -0.9436 | |
| 89 | P | B | -0.3214 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | 0.4911 | |
| 92 | D | B | -1.4407 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.1554 | |
| 95 | V | B | -1.6659 | |
| 96 | D | B | -2.9443 | |
| 97 | V | B | -1.9631 | |
| 98 | E | B | -3.1391 | |
| 99 | K | B | -3.9056 | |
| 100 | D | B | -4.0617 | |
| 101 | E | B | -3.9779 | |
| 102 | E | B | -3.7490 | |
| 103 | G | B | -3.1361 | |
| 104 | N | B | -2.4322 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | -0.3866 | |
| 107 | S | B | -1.3783 | |
| 108 | V | B | -1.8673 | |
| 109 | D | B | -2.8771 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -2.2625 | |
| 112 | E | B | -2.5907 | |
| 113 | S | B | -2.2248 | |
| 114 | T | B | -2.7810 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.8758 | |
| 117 | E | B | -4.0802 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -3.4286 | |
| 120 | K | B | -3.1945 | |
| 121 | I | B | -2.0034 | |
| 122 | A | B | 0.0000 | |
| 123 | N | B | -1.6969 | |
| 124 | M | B | -1.7911 | |
| 125 | E | B | -2.4111 | |
| 126 | A | B | -1.7815 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -2.9704 | |
| 129 | H | B | -2.2270 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.1840 | |
| 132 | K | B | -2.4039 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -1.5836 | |
| 136 | D | B | 0.0000 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -1.8416 | |
| 139 | E | B | -2.4257 | |
| 140 | R | B | -2.1594 | |
| 141 | G | B | -1.5571 | |
| 142 | K | B | -1.4656 | |
| 143 | T | B | -0.6572 | |
| 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 | -0.0396 | |
| 151 | W | B | 0.0899 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | 0.4961 | |
| 156 | W | B | 0.3195 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.0858 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | A | B | -0.1274 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | -0.0230 | |
| 166 | L | B | 0.0532 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.3633 | |
| 169 | D | B | -2.2896 | |
| 170 | R | B | -1.6859 | |
| 171 | A | B | -1.1353 | |
| 172 | P | B | -0.9928 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.6772 | |
| 178 | E | B | -2.7987 | |
| 179 | K | B | -1.9630 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.0936 | |
| 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 | 0.2787 | |
| 194 | H | B | -0.2039 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.3321 | |
| 197 | D | B | -1.8814 | |
| 198 | L | B | -1.3899 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.2473 | |
| 201 | M | B | -0.7484 | |
| 202 | W | B | 0.0000 | |
| 203 | S | B | 0.0000 | |
| 204 | T | B | 0.0000 | |
| 205 | M | B | 0.0786 | |
| 206 | N | B | 0.0000 | |
| 207 | E | B | -0.1850 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.5734 | |
| 210 | V | B | 0.0000 | |
| 211 | V | B | 0.0000 | |
| 212 | Y | B | -0.9676 | |
| 213 | N | B | -0.8463 | |
| 214 | Q | B | -1.0193 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.3548 | |
| 218 | N | B | -1.0968 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -1.2625 | |
| 221 | S | B | -0.8757 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | 0.0000 | |
| 227 | Y | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -1.0009 | |
| 231 | E | B | -2.2865 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.5757 | |
| 235 | K | B | -2.2502 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.0279 | |
| 238 | F | B | -0.0542 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.4458 | |
| 242 | Q | B | 0.3619 | |
| 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 | -0.4816 | |
| 249 | D | B | -1.1314 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.0194 | |
| 253 | E | B | -2.6856 | |
| 254 | Y | B | -1.2286 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.5482 | |
| 257 | K | B | -1.7398 | |
| 258 | S | B | -1.0247 | |
| 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 | -0.0474 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.0368 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.6800 | |
| 270 | P | B | -1.5898 | |
| 271 | L | B | -0.0899 | |
| 272 | A | B | -1.2836 | |
| 273 | E | B | -3.2354 | |
| 274 | E | B | -3.5107 | |
| 275 | Y | B | -3.1580 | |
| 276 | K | B | -4.6148 | |
| 277 | D | B | -4.8284 | |
| 278 | E | B | -4.4589 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.3432 | |
| 281 | E | B | -4.8166 | |
| 282 | I | B | -3.3695 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -4.2311 | |
| 285 | K | B | -3.8492 | |
| 286 | D | B | -2.6432 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.4562 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.1013 | |
| 292 | I | B | -0.0858 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -0.9378 | |
| 295 | S | B | -0.6685 | |
| 296 | K | B | -0.9526 | |
| 297 | G | B | -1.1195 | |
| 298 | K | B | -0.7482 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.6561 | |
| 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 | 0.3463 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.1812 | |
| 310 | L | B | 0.5334 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.3209 | |
| 315 | K | B | -2.5902 | |
| 316 | D | B | -2.8572 | |
| 317 | G | B | -2.0018 | |
| 318 | H | B | -1.4104 | |
| 319 | L | B | -0.4737 | |
| 320 | V | B | 0.2442 | |
| 321 | P | B | 0.3112 | |
| 322 | L | B | 0.3189 | |
| 323 | P | B | -0.3110 | |
| 324 | G | B | -0.6463 | |
| 325 | Y | B | 0.0000 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 1.0849 | |
| 328 | M | B | 0.0804 | |
| 329 | S | B | -0.9711 | |
| 330 | E | B | -2.4878 | |
| 331 | R | B | -2.6508 | |
| 332 | G | B | -1.6913 | |
| 333 | G | B | -0.9244 | |
| 334 | F | B | 0.0045 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.7654 | |
| 337 | S | B | -0.8713 | |
| 338 | G | B | -0.7280 | |
| 339 | R | B | -0.4019 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -1.8579 | |
| 344 | F | B | -0.7114 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.0992 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | 0.0290 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.0574 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.7820 | |
| 355 | N | B | -1.8086 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.2138 | |
| 359 | Y | B | -1.1987 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.1446 | |
| 362 | N | B | -2.0218 | |
| 363 | A | B | -1.3445 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.4267 | |
| 366 | L | B | -1.2877 | |
| 367 | P | B | -1.0137 | |
| 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 | 0.0000 | |
| 375 | M | B | 0.0000 | |
| 376 | A | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | A | B | -0.5288 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.3286 | |
| 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 | -0.9787 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.0786 | |
| 396 | N | B | -1.8798 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.1061 | |
| 399 | K | B | -2.7811 | |
| 400 | E | B | -3.2474 | |
| 401 | G | B | -2.4406 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.2893 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.6055 | |
| 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 | -0.5540 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | -0.2575 | |
| 420 | Q | B | -0.8924 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.9740 | |
| 423 | R | B | -1.9798 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.6160 | |
| 426 | F | B | 0.0010 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.2628 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.5713 | |
| 433 | F | B | -1.4556 | |
| 434 | E | B | -2.3470 | |
| 435 | T | B | -1.7441 | |
| 436 | K | B | -1.6689 | |
| 437 | K | B | -2.3845 | |
| 438 | R | B | -1.3375 | |
| 439 | Y | B | -0.8776 | |
| 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 | -0.9243 | |
| 449 | E | B | -0.6087 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.0888 | |
| 453 | Q | B | -1.4533 | |
| 454 | K | B | -1.6479 | |
| 455 | E | B | -1.5290 | |
| 456 | I | B | -1.1022 | |
| 457 | P | B | -1.5114 | |
| 458 | E | B | -2.1923 | |
| 459 | E | B | -1.8280 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -0.7612 | |
| 462 | H | B | 0.0000 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -0.6731 | |
| 465 | D | B | -1.0658 | |
| 466 | L | B | -0.9098 | |
| 467 | K | B | -1.7123 | |
| 468 | F | B | -0.8692 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -0.4935 | |
| 1 | A | C | -1.6129 | |
| 2 | K | C | -2.4097 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -1.9907 | |
| 5 | K | C | -2.5986 | |
| 6 | N | C | -2.4194 | |
| 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 | 0.0000 | |
| 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 | -1.3764 | |
| 22 | L | C | -0.5722 | |
| 23 | P | C | -1.0476 | |
| 24 | G | C | -1.1048 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.6805 | |
| 27 | V | C | 0.0000 | |
| 28 | E | C | -1.9363 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.3970 | |
| 33 | V | C | -0.3075 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -1.3439 | |
| 37 | D | C | -1.2313 | |
| 38 | K | C | -1.6567 | |
| 39 | E | C | 0.0000 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.3614 | |
| 42 | A | C | -0.1439 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.5135 | |
| 45 | L | C | -0.5929 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.5627 | |
| 48 | G | C | -1.1150 | |
| 49 | D | C | -1.4642 | |
| 50 | L | C | -1.1169 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.4855 | |
| 53 | N | C | -1.7446 | |
| 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 | -1.3256 | |
| 60 | L | C | -1.1106 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.4464 | |
| 63 | Q | C | -2.1634 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -2.0855 | |
| 67 | I | C | -1.4581 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.3344 | |
| 70 | K | C | -2.3711 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.5430 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -1.0029 | |
| 75 | C | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
| 77 | R | C | 0.0000 | |
| 78 | G | C | 0.0000 | |
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| 80 | I | C | 0.0000 | |
| 81 | E | C | 0.0000 | |
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| 83 | A | C | 0.0000 | |
| 84 | R | C | 0.0000 | |
| 85 | I | C | 0.0000 | |
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| 87 | P | C | -1.0501 | |
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| 89 | P | C | -0.7712 | |
| 90 | T | C | 0.0000 | |
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| 93 | V | C | 0.0000 | |
| 94 | K | C | -2.5126 | |
| 95 | V | C | 0.0000 | |
| 96 | D | C | -2.9068 | |
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| 98 | E | C | -2.9775 | |
| 99 | K | C | -3.5903 | |
| 100 | D | C | -3.8246 | |
| 101 | E | C | -3.8241 | |
| 102 | E | C | -3.5445 | |
| 103 | G | C | -2.5500 | |
| 104 | N | C | -1.8983 | |
| 105 | I | C | 0.0000 | |
| 106 | I | C | -0.2981 | |
| 107 | S | C | -0.9156 | |
| 108 | V | C | 0.0000 | |
| 109 | D | C | -2.7642 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -1.8428 | |
| 112 | E | C | -2.4956 | |
| 113 | S | C | -1.9826 | |
| 114 | T | C | -2.2866 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.2935 | |
| 117 | E | C | -3.4374 | |
| 118 | L | C | 0.0000 | |
| 119 | E | C | -2.2026 | |
| 120 | K | C | -2.5546 | |
| 121 | I | C | 0.0000 | |
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| 123 | N | C | -1.4958 | |
| 124 | M | C | -1.5129 | |
| 125 | E | C | -2.3916 | |
| 126 | A | C | -1.8187 | |
| 127 | L | C | 0.0000 | |
| 128 | E | C | -3.1384 | |
| 129 | H | C | -2.4759 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.1922 | |
| 132 | K | C | -2.6764 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -1.8827 | |
| 136 | D | C | -2.0052 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -2.4486 | |
| 139 | E | C | -2.6182 | |
| 140 | R | C | -2.1159 | |
| 141 | G | C | -1.7245 | |
| 142 | K | C | -1.7207 | |
| 143 | T | C | -1.1598 | |
| 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 | -0.0826 | |
| 151 | W | C | 0.0746 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | -0.0467 | |
| 156 | W | C | -0.0353 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.5318 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | 0.2665 | |
| 162 | A | C | -0.0395 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | 0.0000 | |
| 165 | K | C | 0.1666 | |
| 166 | L | C | 0.4376 | |
| 167 | G | C | -0.6584 | |
| 168 | P | C | -1.4720 | |
| 169 | D | C | -2.5477 | |
| 170 | R | C | -2.4600 | |
| 171 | A | C | -1.4260 | |
| 172 | P | C | -1.0564 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | D | C | -2.1468 | |
| 178 | E | C | -2.5551 | |
| 179 | K | C | -1.9462 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | -0.4282 | |
| 182 | V | C | -0.7071 | |
| 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 | -0.3004 | |
| 194 | H | C | -0.6190 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.6764 | |
| 197 | D | C | -2.2176 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.6612 | |
| 201 | M | C | -0.8190 | |
| 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 | -0.2405 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.3632 | |
| 210 | V | C | -0.1691 | |
| 211 | V | C | 0.0000 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -0.8398 | |
| 214 | Q | C | -0.7752 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.1696 | |
| 218 | N | C | -0.9493 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -2.3840 | |
| 221 | S | C | -1.1327 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | 0.0000 | |
| 227 | Y | C | 0.1966 | |
| 228 | L | C | -0.1634 | |
| 229 | S | C | -0.6455 | |
| 230 | F | C | -0.4004 | |
| 231 | E | C | -2.0536 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.1455 | |
| 235 | K | C | -2.1515 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.2554 | |
| 238 | F | C | -0.0491 | |
| 239 | N | C | -0.6508 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.4306 | |
| 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 | -0.5130 | |
| 249 | D | C | -0.9586 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -1.6535 | |
| 253 | E | C | -1.7712 | |
| 254 | Y | C | -0.9658 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.3676 | |
| 257 | K | C | -1.6059 | |
| 258 | S | C | -0.8900 | |
| 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 | -0.0538 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.0202 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.5036 | |
| 270 | P | C | -1.2219 | |
| 271 | L | C | 0.3312 | |
| 272 | A | C | -1.1922 | |
| 273 | E | C | -3.3867 | |
| 274 | E | C | -3.4705 | |
| 275 | Y | C | -3.0387 | |
| 276 | K | C | -4.4172 | |
| 277 | D | C | -4.8984 | |
| 278 | E | C | -4.4625 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.6742 | |
| 281 | E | C | -4.6984 | |
| 282 | I | C | -3.2914 | |
| 283 | R | C | 0.0000 | |
| 284 | K | C | -4.1667 | |
| 285 | K | C | -4.1204 | |
| 286 | D | C | -3.0388 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -3.1269 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.3876 | |
| 292 | I | C | -0.5076 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.2119 | |
| 295 | S | C | -1.0443 | |
| 296 | K | C | -1.1792 | |
| 297 | G | C | -1.0515 | |
| 298 | K | C | -0.7407 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.4903 | |
| 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 | 0.3063 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.1396 | |
| 310 | L | C | 0.7255 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0786 | |
| 314 | A | C | -0.9018 | |
| 315 | K | C | -2.6146 | |
| 316 | D | C | -2.9098 | |
| 317 | G | C | -2.1821 | |
| 318 | H | C | -1.6936 | |
| 319 | L | C | -0.2072 | |
| 320 | V | C | 1.2472 | |
| 321 | P | C | 1.2818 | |
| 322 | L | C | 1.1359 | |
| 323 | P | C | 0.0179 | |
| 324 | G | C | -0.4685 | |
| 325 | Y | C | -0.0563 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.8817 | |
| 328 | M | C | 0.3588 | |
| 329 | S | C | -0.8658 | |
| 330 | E | C | -2.4470 | |
| 331 | R | C | -2.4466 | |
| 332 | G | C | -1.4637 | |
| 333 | G | C | -1.0113 | |
| 334 | F | C | -0.1319 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -1.8035 | |
| 337 | S | C | -0.8717 | |
| 338 | G | C | -0.6952 | |
| 339 | R | C | -0.4169 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.2493 | |
| 344 | F | C | -0.4877 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | 0.3334 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.1551 | |
| 350 | P | C | -0.6827 | |
| 351 | E | C | -0.9906 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.8277 | |
| 355 | N | C | -1.6584 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -2.9482 | |
| 359 | Y | C | -1.5235 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -2.7689 | |
| 362 | N | C | -2.3525 | |
| 363 | A | C | -1.5503 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.7047 | |
| 366 | L | C | -1.2947 | |
| 367 | P | C | -1.1930 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1428 | |
| 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 | -0.2101 | |
| 379 | A | C | 0.0495 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.6738 | |
| 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 | -1.1068 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.2252 | |
| 396 | N | C | -1.8141 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.2414 | |
| 399 | K | C | -2.8163 | |
| 400 | E | C | -3.5086 | |
| 401 | G | C | -2.9437 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -2.3769 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.8561 | |
| 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 | -0.6488 | |
| 418 | W | C | -0.2477 | |
| 419 | A | C | -0.6379 | |
| 420 | Q | C | -1.1781 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.9245 | |
| 423 | R | C | -1.8600 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | 0.0000 | |
| 426 | F | C | 0.2097 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | 0.0000 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.4823 | |
| 433 | F | C | 0.0000 | |
| 434 | E | C | -2.3243 | |
| 435 | T | C | -1.6768 | |
| 436 | K | C | 0.0000 | |
| 437 | K | C | -2.3022 | |
| 438 | R | C | -1.6234 | |
| 439 | Y | C | 0.0000 | |
| 440 | L | C | -0.3306 | |
| 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 | -0.2081 | |
| 448 | R | C | -1.2573 | |
| 449 | E | C | -0.8364 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.3257 | |
| 453 | Q | C | -1.6265 | |
| 454 | K | C | -1.9009 | |
| 455 | E | C | -2.0983 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | -1.7121 | |
| 458 | E | C | -2.3048 | |
| 459 | E | C | -1.6021 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.0201 | |
| 462 | H | C | 0.0000 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | -1.0132 | |
| 465 | D | C | -1.2482 | |
| 466 | L | C | 0.0000 | |
| 467 | K | C | -1.7398 | |
| 468 | F | C | -0.5361 | |
| 469 | V | C | -0.3297 | |
| 470 | T | C | -0.4906 | |
| 1 | A | D | -1.4703 | |
| 2 | K | D | -2.5893 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -2.0599 | |
| 5 | K | D | -2.8273 | |
| 6 | N | D | -2.4043 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | -0.9001 | |
| 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 | -0.0386 | |
| 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 | -1.3333 | |
| 22 | L | D | -0.5820 | |
| 23 | P | D | -1.0497 | |
| 24 | G | D | -1.0330 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.3733 | |
| 27 | V | D | -1.2959 | |
| 28 | E | D | -1.2009 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | 0.0000 | |
| 33 | V | D | -0.0128 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -1.6098 | |
| 37 | D | D | -1.3425 | |
| 38 | K | D | -1.7218 | |
| 39 | E | D | -0.7929 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.3088 | |
| 42 | A | D | -0.0104 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.6706 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.9146 | |
| 48 | G | D | -1.5444 | |
| 49 | D | D | -2.3684 | |
| 50 | L | D | -1.6732 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -2.6123 | |
| 53 | N | D | -1.9311 | |
| 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 | -0.7269 | |
| 60 | L | D | -0.8074 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.5788 | |
| 63 | Q | D | -2.4609 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -2.4302 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.4075 | |
| 70 | K | D | -2.3996 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | 0.0000 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -0.8592 | |
| 75 | C | D | 0.0000 | |
| 76 | I | D | 0.0000 | |
| 77 | R | D | 0.0000 | |
| 78 | G | D | 0.0000 | |
| 79 | G | D | -0.0810 | |
| 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 | -0.8833 | |
| 88 | K | D | -1.3896 | |
| 89 | P | D | -0.6247 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.1036 | |
| 92 | D | D | -1.5982 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.1785 | |
| 95 | V | D | -1.7777 | |
| 96 | D | D | -2.8623 | |
| 97 | V | D | -2.1704 | |
| 98 | E | D | -3.2927 | |
| 99 | K | D | -3.6475 | |
| 100 | D | D | -4.0339 | |
| 101 | E | D | -3.8864 | |
| 102 | E | D | -3.6698 | |
| 103 | G | D | -3.0683 | |
| 104 | N | D | -2.0964 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | -0.8953 | |
| 107 | S | D | -1.4295 | |
| 108 | V | D | -2.0324 | |
| 109 | D | D | -2.8742 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.1115 | |
| 112 | E | D | -2.4150 | |
| 113 | S | D | -2.0091 | |
| 114 | T | D | -2.1758 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -2.8054 | |
| 117 | E | D | -2.7879 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -1.7511 | |
| 120 | K | D | -2.1340 | |
| 121 | I | D | -0.8654 | |
| 122 | A | D | 0.0000 | |
| 123 | N | D | -1.3786 | |
| 124 | M | D | -1.5125 | |
| 125 | E | D | -2.4991 | |
| 126 | A | D | -1.6976 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.9139 | |
| 129 | H | D | -2.0173 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.0324 | |
| 132 | K | D | -2.0969 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -1.9417 | |
| 136 | D | D | -2.3089 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.6933 | |
| 139 | E | D | -2.8607 | |
| 140 | R | D | -2.3442 | |
| 141 | G | D | -1.9954 | |
| 142 | K | D | -1.7770 | |
| 143 | T | D | -1.0797 | |
| 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 | -0.0565 | |
| 151 | W | D | 0.0964 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | 0.2619 | |
| 156 | W | D | -0.0173 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.0794 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | -0.1568 | |
| 162 | A | D | -0.6483 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -0.6069 | |
| 165 | K | D | -1.1832 | |
| 166 | L | D | -0.2908 | |
| 167 | G | D | 0.0000 | |
| 168 | P | D | -1.5979 | |
| 169 | D | D | -2.5974 | |
| 170 | R | D | -2.6148 | |
| 171 | A | D | -1.4893 | |
| 172 | P | D | -1.0159 | |
| 173 | A | D | -1.2880 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -1.8658 | |
| 178 | E | D | -1.7322 | |
| 179 | K | D | -1.8736 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.5462 | |
| 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 | -0.2282 | |
| 194 | H | D | -0.4114 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.6815 | |
| 197 | D | D | -2.1149 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.7086 | |
| 201 | M | D | 0.0000 | |
| 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 | -0.1347 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.3727 | |
| 210 | V | D | -0.1361 | |
| 211 | V | D | 0.0000 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -0.8977 | |
| 214 | Q | D | -1.0046 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.5796 | |
| 218 | N | D | -1.0881 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -2.4463 | |
| 221 | S | D | -1.2331 | |
| 222 | G | D | -0.6838 | |
| 223 | F | D | 0.0000 | |
| 224 | P | D | 0.0000 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | 0.0000 | |
| 227 | Y | D | -0.0581 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | 0.0000 | |
| 230 | F | D | -0.9153 | |
| 231 | E | D | -2.2638 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | -1.4630 | |
| 234 | E | D | -2.2313 | |
| 235 | K | D | -2.1424 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -0.6729 | |
| 238 | F | D | 0.5556 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.0000 | |
| 242 | Q | D | 0.0187 | |
| 243 | A | D | 0.0000 | |
| 244 | H | D | 0.0000 | |
| 245 | I | D | 0.0000 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | -0.5280 | |
| 249 | D | D | -1.1347 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.0914 | |
| 253 | E | D | -2.5648 | |
| 254 | Y | D | -1.4765 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.5747 | |
| 257 | K | D | -1.8632 | |
| 258 | S | D | -1.2123 | |
| 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 | -0.0033 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.0121 | |
| 267 | W | D | -0.2517 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | 0.0027 | |
| 270 | P | D | -0.8223 | |
| 271 | L | D | 0.6261 | |
| 272 | A | D | -1.0406 | |
| 273 | E | D | -3.1981 | |
| 274 | E | D | -3.3729 | |
| 275 | Y | D | -2.6919 | |
| 276 | K | D | -3.6049 | |
| 277 | D | D | -4.0835 | |
| 278 | E | D | -3.8735 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -2.9446 | |
| 281 | E | D | -3.4279 | |
| 282 | I | D | -2.5486 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.5668 | |
| 285 | K | D | -4.0334 | |
| 286 | D | D | -3.5672 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -3.1880 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.1847 | |
| 292 | I | D | -0.1935 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.1390 | |
| 295 | S | D | -0.7937 | |
| 296 | K | D | -1.2137 | |
| 297 | G | D | -1.2738 | |
| 298 | K | D | -1.1341 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.7957 | |
| 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 | 0.3787 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0000 | |
| 310 | L | D | 0.7657 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.5249 | |
| 315 | K | D | -2.8395 | |
| 316 | D | D | -3.0409 | |
| 317 | G | D | -2.4776 | |
| 318 | H | D | -2.1699 | |
| 319 | L | D | -1.0060 | |
| 320 | V | D | -0.4889 | |
| 321 | P | D | 0.2280 | |
| 322 | L | D | 0.4535 | |
| 323 | P | D | -0.1992 | |
| 324 | G | D | -0.5034 | |
| 325 | Y | D | -0.0565 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 1.1794 | |
| 328 | M | D | 0.2943 | |
| 329 | S | D | -0.9439 | |
| 330 | E | D | -2.4389 | |
| 331 | R | D | -2.5443 | |
| 332 | G | D | -1.3066 | |
| 333 | G | D | -0.7211 | |
| 334 | F | D | -0.0071 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -1.7986 | |
| 337 | S | D | -0.8563 | |
| 338 | G | D | -0.4622 | |
| 339 | R | D | -0.4092 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.5466 | |
| 344 | F | D | -0.6186 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.3001 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.0931 | |
| 350 | P | D | -0.8010 | |
| 351 | E | D | -1.0387 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.1255 | |
| 355 | N | D | -1.1335 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -1.6300 | |
| 359 | Y | D | -0.8846 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.0174 | |
| 362 | N | D | -1.8692 | |
| 363 | A | D | -1.2532 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.3659 | |
| 366 | L | D | -1.2064 | |
| 367 | P | D | -1.1262 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | 0.0000 | |
| 373 | N | D | 0.0000 | |
| 374 | G | D | 0.0000 | |
| 375 | M | D | 0.0000 | |
| 376 | A | D | 0.0000 | |
| 377 | D | D | -0.9182 | |
| 378 | A | D | -0.7553 | |
| 379 | A | D | 0.0000 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.4677 | |
| 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 | -1.0767 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.0623 | |
| 396 | N | D | -1.4664 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -1.8228 | |
| 399 | K | D | -2.7121 | |
| 400 | E | D | -2.9820 | |
| 401 | G | D | -2.0615 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -1.9784 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.8069 | |
| 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 | -0.4211 | |
| 418 | W | D | -0.2160 | |
| 419 | A | D | -0.4293 | |
| 420 | Q | D | -0.8598 | |
| 421 | G | D | -0.9772 | |
| 422 | F | D | -0.9402 | |
| 423 | R | D | -1.9458 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.8466 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | -0.2687 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.4474 | |
| 433 | F | D | 0.0000 | |
| 434 | E | D | -2.3356 | |
| 435 | T | D | -1.6176 | |
| 436 | K | D | 0.0000 | |
| 437 | K | D | -2.3090 | |
| 438 | R | D | -1.2611 | |
| 439 | Y | D | -0.8961 | |
| 440 | L | D | -0.2201 | |
| 441 | R | D | 0.0000 | |
| 442 | P | D | 0.0000 | |
| 443 | S | D | 0.0000 | |
| 444 | A | D | 0.0000 | |
| 445 | L | D | 0.0000 | |
| 446 | V | D | 0.0000 | |
| 447 | F | D | 0.0000 | |
| 448 | R | D | -0.9863 | |
| 449 | E | D | -0.7229 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.1640 | |
| 453 | Q | D | -1.5818 | |
| 454 | K | D | -1.9360 | |
| 455 | E | D | -2.2023 | |
| 456 | I | D | 0.0000 | |
| 457 | P | D | 0.0000 | |
| 458 | E | D | -2.4896 | |
| 459 | E | D | -1.7323 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.1696 | |
| 462 | H | D | -1.0195 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -1.1981 | |
| 465 | D | D | -2.2521 | |
| 466 | L | D | 0.0000 | |
| 467 | K | D | -2.1201 | |
| 468 | F | D | -0.8859 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -0.5926 |
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 | -0.597 | 3.5166 | View | CSV | PDB |
| 4.5 | -0.673 | 3.3101 | View | CSV | PDB |
| 5.0 | -0.7687 | 3.0736 | View | CSV | PDB |
| 5.5 | -0.8665 | 3.0221 | View | CSV | PDB |
| 6.0 | -0.9466 | 2.9747 | View | CSV | PDB |
| 6.5 | -0.9929 | 2.9393 | View | CSV | PDB |
| 7.0 | -1.0018 | 2.9196 | View | CSV | PDB |
| 7.5 | -0.9838 | 2.9113 | View | CSV | PDB |
| 8.0 | -0.9508 | 2.9084 | View | CSV | PDB |
| 8.5 | -0.9083 | 2.9074 | View | CSV | PDB |
| 9.0 | -0.857 | 2.907 | 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