| Chain sequence(s) |
A: MEFGLSWVFLVALFRGVQCLNFRAPPVIPNVPFLWAWNAPSEFCLGKFDEPLDMSLFSFIGSPRINATGQGVTIFYVDRLGYYPYIDSITGVTVNGGIPQKISLQDHLDKAKKDITFYMPVDNLGMAVIDWEEWRPTWARNWKPKDVYKNRSIELVQQQNVQLSLTEATEKAKQEFEKAGKDFLVETIKLGKLLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQQSPVAATLYVRNRVREAIRVSKIPDAKSPLPVFAYTRIVFTDQVLKFLSQDELVYTFGETVALGASGIVIWGTLSIMRSMKSCLLLDNYMETILNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPDNFAIQLEKGGKFTVRGKPTLEDLEQFSEKFYCSCYSTLSCKEKADVKDTDAVDVCIADGVCIDAFLKPPMETEEPQIFYGGGGSGGGGSGGGGSDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL
B: MEFGLSWVFLVALFRGVQCLNFRAPPVIPNVPFLWAWNAPSEFCLGKFDEPLDMSLFSFIGSPRINATGQGVTIFYVDRLGYYPYIDSITGVTVNGGIPQKISLQDHLDKAKKDITFYMPVDNLGMAVIDWEEWRPTWARNWKPKDVYKNRSIELVQQQNVQLSLTEATEKAKQEFEKAGKDFLVETIKLGKLLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQQSPVAATLYVRNRVREAIRVSKIPDAKSPLPVFAYTRIVFTDQVLKFLSQDELVYTFGETVALGASGIVIWGTLSIMRSMKSCLLLDNYMETILNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPDNFAIQLEKGGKFTVRGKPTLEDLEQFSEKFYCSCYSTLSCKEKADVKDTDAVDVCIADGVCIDAFLKPPMETEEPQIFYGGGGSGGGGSGGGGSDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[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 (00:53:50)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/54a4eeb429ea2af/tmp/folded.pdb (00:53:50)
[INFO] Main: Simulation completed successfully. (01:09:38)
|
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 | M | A | 0.6531 | |
| 2 | E | A | -0.2900 | |
| 3 | F | A | 1.5738 | |
| 4 | G | A | 0.9199 | |
| 5 | L | A | 2.1669 | |
| 6 | S | A | 2.1109 | |
| 7 | W | A | 3.1840 | |
| 8 | V | A | 4.2271 | |
| 9 | F | A | 4.4936 | |
| 10 | L | A | 4.3719 | |
| 11 | V | A | 4.2330 | |
| 12 | A | A | 2.8420 | |
| 13 | L | A | 2.5820 | |
| 14 | F | A | 2.2851 | |
| 15 | R | A | -0.2307 | |
| 16 | G | A | 0.1535 | |
| 17 | V | A | 1.2861 | |
| 18 | Q | A | -0.0086 | |
| 19 | C | A | 1.0626 | |
| 20 | L | A | 1.2756 | |
| 21 | N | A | 0.0387 | |
| 22 | F | A | 0.0000 | |
| 23 | R | A | 0.0000 | |
| 24 | A | A | -0.2550 | |
| 25 | P | A | -0.0632 | |
| 26 | P | A | -0.0761 | |
| 27 | V | A | 0.4405 | |
| 28 | I | A | 0.2523 | |
| 29 | P | A | -0.5085 | |
| 30 | N | A | -1.1615 | |
| 31 | V | A | -0.0384 | |
| 32 | P | A | -0.3416 | |
| 33 | F | A | 0.0000 | |
| 34 | L | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | W | A | 0.0000 | |
| 38 | N | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | P | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | E | A | -0.9007 | |
| 43 | F | A | -0.8261 | |
| 44 | C | A | 0.0000 | |
| 45 | L | A | -0.3977 | |
| 46 | G | A | 0.0000 | |
| 47 | K | A | -1.1313 | |
| 48 | F | A | 0.3485 | |
| 49 | D | A | -0.4733 | |
| 50 | E | A | -0.9498 | |
| 51 | P | A | -0.9361 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -1.1074 | |
| 54 | M | A | -0.0526 | |
| 55 | S | A | -0.6070 | |
| 56 | L | A | -0.1373 | |
| 57 | F | A | 0.0000 | |
| 58 | S | A | 0.2690 | |
| 59 | F | A | 0.0000 | |
| 60 | I | A | 0.8978 | |
| 61 | G | A | 0.0000 | |
| 62 | S | A | -0.0959 | |
| 63 | P | A | 0.2406 | |
| 64 | R | A | 0.0385 | |
| 65 | I | A | 0.6514 | |
| 66 | N | A | -0.4471 | |
| 67 | A | A | -0.2843 | |
| 68 | T | A | -0.0470 | |
| 69 | G | A | -0.3613 | |
| 70 | Q | A | -0.2586 | |
| 71 | G | A | -0.0754 | |
| 72 | V | A | 0.0000 | |
| 73 | T | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | F | A | 0.0000 | |
| 76 | Y | A | -0.2120 | |
| 77 | V | A | -0.5863 | |
| 78 | D | A | -1.3259 | |
| 79 | R | A | -0.4393 | |
| 80 | L | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | Y | A | -0.4278 | |
| 83 | Y | A | 0.0000 | |
| 84 | P | A | 0.0000 | |
| 85 | Y | A | 0.0556 | |
| 86 | I | A | 0.0000 | |
| 87 | D | A | 0.2824 | |
| 88 | S | A | 0.4780 | |
| 89 | I | A | 1.6260 | |
| 90 | T | A | 0.8396 | |
| 91 | G | A | 0.3940 | |
| 92 | V | A | 0.9673 | |
| 93 | T | A | 0.3543 | |
| 94 | V | A | 0.1316 | |
| 95 | N | A | -0.2954 | |
| 96 | G | A | -0.7410 | |
| 97 | G | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | P | A | 0.0000 | |
| 100 | Q | A | -1.4667 | |
| 101 | K | A | -1.6864 | |
| 102 | I | A | -0.9669 | |
| 103 | S | A | -1.1926 | |
| 104 | L | A | -1.3756 | |
| 105 | Q | A | -2.4340 | |
| 106 | D | A | -2.9788 | |
| 107 | H | A | 0.0000 | |
| 108 | L | A | -2.3940 | |
| 109 | D | A | -3.5398 | |
| 110 | K | A | -2.7480 | |
| 111 | A | A | 0.0000 | |
| 112 | K | A | -2.6411 | |
| 113 | K | A | -2.5296 | |
| 114 | D | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | T | A | -0.2710 | |
| 117 | F | A | 0.5427 | |
| 118 | Y | A | 0.0000 | |
| 119 | M | A | 0.0000 | |
| 120 | P | A | 0.5532 | |
| 121 | V | A | 1.0317 | |
| 122 | D | A | -0.5760 | |
| 123 | N | A | -1.2424 | |
| 124 | L | A | -0.3572 | |
| 125 | G | A | 0.0000 | |
| 126 | M | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | D | A | -0.5094 | |
| 131 | W | A | 0.0000 | |
| 132 | E | A | -1.2878 | |
| 133 | E | A | -1.0280 | |
| 134 | W | A | 0.0000 | |
| 135 | R | A | -0.6559 | |
| 136 | P | A | 0.0000 | |
| 137 | T | A | -0.8079 | |
| 138 | W | A | 0.0000 | |
| 139 | A | A | -0.2636 | |
| 140 | R | A | 0.0000 | |
| 141 | N | A | 0.0000 | |
| 142 | W | A | -0.4872 | |
| 143 | K | A | -1.1239 | |
| 144 | P | A | -0.7885 | |
| 145 | K | A | -0.7545 | |
| 146 | D | A | -0.8126 | |
| 147 | V | A | -0.7315 | |
| 148 | Y | A | 0.0000 | |
| 149 | K | A | -0.9380 | |
| 150 | N | A | 0.0000 | |
| 151 | R | A | -1.0847 | |
| 152 | S | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | E | A | -0.7698 | |
| 155 | L | A | -1.0433 | |
| 156 | V | A | 0.0000 | |
| 157 | Q | A | 0.0000 | |
| 158 | Q | A | -1.3285 | |
| 159 | Q | A | -1.6004 | |
| 160 | N | A | -0.8030 | |
| 161 | V | A | 0.2630 | |
| 162 | Q | A | -0.9291 | |
| 163 | L | A | -0.5223 | |
| 164 | S | A | -0.3672 | |
| 165 | L | A | 0.2095 | |
| 166 | T | A | -1.1328 | |
| 167 | E | A | -2.5639 | |
| 168 | A | A | 0.0000 | |
| 169 | T | A | -2.0735 | |
| 170 | E | A | -3.4086 | |
| 171 | K | A | -2.9638 | |
| 172 | A | A | 0.0000 | |
| 173 | K | A | -3.1038 | |
| 174 | Q | A | -3.3102 | |
| 175 | E | A | -2.9751 | |
| 176 | F | A | 0.0000 | |
| 177 | E | A | -2.4578 | |
| 178 | K | A | -2.9520 | |
| 179 | A | A | -1.9870 | |
| 180 | G | A | 0.0000 | |
| 181 | K | A | -1.7748 | |
| 182 | D | A | -1.5229 | |
| 183 | F | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | V | A | -0.9705 | |
| 186 | E | A | -1.4483 | |
| 187 | T | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | K | A | -0.6255 | |
| 190 | L | A | -0.3344 | |
| 191 | G | A | 0.0000 | |
| 192 | K | A | -0.1431 | |
| 193 | L | A | 1.0053 | |
| 194 | L | A | 0.4251 | |
| 195 | R | A | -0.2857 | |
| 196 | P | A | -0.7714 | |
| 197 | N | A | -1.3397 | |
| 198 | H | A | 0.0000 | |
| 199 | L | A | -0.0926 | |
| 200 | W | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | Y | A | 0.0000 | |
| 203 | Y | A | 0.0577 | |
| 204 | L | A | 0.1467 | |
| 205 | F | A | 0.2046 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | 0.0000 | |
| 208 | C | A | 0.0000 | |
| 209 | Y | A | 0.0000 | |
| 210 | N | A | 0.0000 | |
| 211 | H | A | -0.9885 | |
| 212 | H | A | -1.4398 | |
| 213 | Y | A | -1.2682 | |
| 214 | K | A | -2.2441 | |
| 215 | K | A | -1.8709 | |
| 216 | P | A | -1.2355 | |
| 217 | G | A | -1.1947 | |
| 218 | Y | A | -1.0493 | |
| 219 | N | A | -1.1263 | |
| 220 | G | A | 0.0000 | |
| 221 | S | A | -0.5537 | |
| 222 | C | A | -0.0949 | |
| 223 | F | A | 0.1685 | |
| 224 | N | A | -0.9125 | |
| 225 | V | A | -0.2590 | |
| 226 | E | A | 0.0000 | |
| 227 | I | A | -0.9911 | |
| 228 | K | A | -2.3033 | |
| 229 | R | A | -1.7023 | |
| 230 | N | A | 0.0000 | |
| 231 | D | A | -2.0374 | |
| 232 | D | A | -2.5705 | |
| 233 | L | A | 0.0000 | |
| 234 | S | A | -1.0569 | |
| 235 | W | A | -0.7467 | |
| 236 | L | A | 0.0000 | |
| 237 | W | A | 0.0000 | |
| 238 | N | A | -1.4498 | |
| 239 | E | A | -1.1205 | |
| 240 | S | A | 0.0000 | |
| 241 | T | A | -0.3998 | |
| 242 | A | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | P | A | 0.0000 | |
| 246 | S | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | Y | A | 0.1711 | |
| 249 | L | A | 0.0000 | |
| 250 | N | A | -0.9724 | |
| 251 | T | A | -1.3927 | |
| 252 | Q | A | -1.7552 | |
| 253 | Q | A | -0.8465 | |
| 254 | S | A | -0.2332 | |
| 255 | P | A | 0.0908 | |
| 256 | V | A | 1.5123 | |
| 257 | A | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | T | A | 0.0000 | |
| 260 | L | A | 0.0992 | |
| 261 | Y | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | R | A | 0.0000 | |
| 264 | N | A | 0.0000 | |
| 265 | R | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | R | A | -1.4943 | |
| 268 | E | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | R | A | -0.9853 | |
| 272 | V | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | K | A | -1.1944 | |
| 275 | I | A | -0.7142 | |
| 276 | P | A | -1.1965 | |
| 277 | D | A | -1.9725 | |
| 278 | A | A | -1.2281 | |
| 279 | K | A | -1.8030 | |
| 280 | S | A | -1.4218 | |
| 281 | P | A | 0.0000 | |
| 282 | L | A | -0.4816 | |
| 283 | P | A | 0.0555 | |
| 284 | V | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | A | A | 0.0000 | |
| 287 | Y | A | 0.0000 | |
| 288 | T | A | 0.0000 | |
| 289 | R | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | F | A | 0.0000 | |
| 293 | T | A | -0.6296 | |
| 294 | D | A | -1.5069 | |
| 295 | Q | A | -1.1111 | |
| 296 | V | A | 0.2525 | |
| 297 | L | A | 0.4944 | |
| 298 | K | A | -1.0162 | |
| 299 | F | A | -0.0814 | |
| 300 | L | A | 0.0000 | |
| 301 | S | A | -1.1750 | |
| 302 | Q | A | -1.5843 | |
| 303 | D | A | -2.2735 | |
| 304 | E | A | -1.3548 | |
| 305 | L | A | 0.0000 | |
| 306 | V | A | -0.6993 | |
| 307 | Y | A | -0.1703 | |
| 308 | T | A | 0.0000 | |
| 309 | F | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | E | A | 0.0000 | |
| 312 | T | A | 0.0000 | |
| 313 | V | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | A | A | 0.0000 | |
| 318 | S | A | 0.0880 | |
| 319 | G | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | W | A | 0.2142 | |
| 324 | G | A | 0.0000 | |
| 325 | T | A | 0.3940 | |
| 326 | L | A | 0.5660 | |
| 327 | S | A | 0.4269 | |
| 328 | I | A | 0.0000 | |
| 329 | M | A | 0.0000 | |
| 330 | R | A | -1.5783 | |
| 331 | S | A | -0.7865 | |
| 332 | M | A | -0.4101 | |
| 333 | K | A | -1.2981 | |
| 334 | S | A | 0.0000 | |
| 335 | C | A | 0.0000 | |
| 336 | L | A | 0.1956 | |
| 337 | L | A | 0.7361 | |
| 338 | L | A | 0.0000 | |
| 339 | D | A | -0.7368 | |
| 340 | N | A | -0.4353 | |
| 341 | Y | A | 0.0000 | |
| 342 | M | A | 0.0000 | |
| 343 | E | A | -1.2559 | |
| 344 | T | A | -0.6400 | |
| 345 | I | A | -0.1989 | |
| 346 | L | A | 0.0000 | |
| 347 | N | A | 0.0000 | |
| 348 | P | A | -0.2961 | |
| 349 | Y | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | N | A | -0.2855 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | A | A | -0.1380 | |
| 358 | K | A | -0.5685 | |
| 359 | M | A | 0.0000 | |
| 360 | C | A | 0.0000 | |
| 361 | S | A | 0.0000 | |
| 362 | Q | A | -1.4955 | |
| 363 | V | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | C | A | 0.0000 | |
| 366 | Q | A | -2.3430 | |
| 367 | E | A | -2.0433 | |
| 368 | Q | A | -1.5799 | |
| 369 | G | A | 0.0000 | |
| 370 | V | A | -0.2250 | |
| 371 | C | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | R | A | 0.0000 | |
| 374 | K | A | -2.3166 | |
| 375 | N | A | -2.2611 | |
| 376 | W | A | -1.5306 | |
| 377 | N | A | -1.8631 | |
| 378 | S | A | -1.3364 | |
| 379 | S | A | -0.7492 | |
| 380 | D | A | -1.1390 | |
| 381 | Y | A | -0.1615 | |
| 382 | L | A | 0.0000 | |
| 383 | H | A | -0.4280 | |
| 384 | L | A | 0.0000 | |
| 385 | N | A | -1.6241 | |
| 386 | P | A | -1.4084 | |
| 387 | D | A | -2.3681 | |
| 388 | N | A | -2.1825 | |
| 389 | F | A | 0.0000 | |
| 390 | A | A | -1.3474 | |
| 391 | I | A | -0.5653 | |
| 392 | Q | A | -1.6598 | |
| 393 | L | A | -1.2720 | |
| 394 | E | A | -2.0675 | |
| 395 | K | A | -2.6038 | |
| 396 | G | A | -1.7498 | |
| 397 | G | A | -2.1254 | |
| 398 | K | A | -2.5444 | |
| 399 | F | A | 0.0000 | |
| 400 | T | A | -1.2106 | |
| 401 | V | A | -1.3410 | |
| 402 | R | A | -2.5606 | |
| 403 | G | A | -2.5097 | |
| 404 | K | A | -2.4542 | |
| 405 | P | A | 0.0000 | |
| 406 | T | A | -1.1947 | |
| 407 | L | A | -1.8129 | |
| 408 | E | A | -2.3778 | |
| 409 | D | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | E | A | -2.7707 | |
| 412 | Q | A | -2.5786 | |
| 413 | F | A | 0.0000 | |
| 414 | S | A | -2.3566 | |
| 415 | E | A | -2.8240 | |
| 416 | K | A | -2.5108 | |
| 417 | F | A | 0.0000 | |
| 418 | Y | A | -0.8316 | |
| 419 | C | A | -0.9305 | |
| 420 | S | A | 0.0000 | |
| 421 | C | A | -0.5975 | |
| 422 | Y | A | 0.0000 | |
| 423 | S | A | -0.5649 | |
| 424 | T | A | -0.1942 | |
| 425 | L | A | 0.0430 | |
| 426 | S | A | -0.1468 | |
| 427 | C | A | -1.4153 | |
| 428 | K | A | -2.5445 | |
| 429 | E | A | -2.6132 | |
| 430 | K | A | -2.4934 | |
| 431 | A | A | -1.9844 | |
| 432 | D | A | -3.0344 | |
| 433 | V | A | 0.0000 | |
| 434 | K | A | -3.3748 | |
| 435 | D | A | -3.4490 | |
| 436 | T | A | 0.0000 | |
| 437 | D | A | -2.1016 | |
| 438 | A | A | -1.2917 | |
| 439 | V | A | 0.0000 | |
| 440 | D | A | -2.2118 | |
| 441 | V | A | 0.0000 | |
| 442 | C | A | -0.5832 | |
| 443 | I | A | 0.1001 | |
| 444 | A | A | -0.7309 | |
| 445 | D | A | -1.9035 | |
| 446 | G | A | -1.1140 | |
| 447 | V | A | 0.0000 | |
| 448 | C | A | -1.0553 | |
| 449 | I | A | 0.0000 | |
| 450 | D | A | -2.5606 | |
| 451 | A | A | -1.1382 | |
| 452 | F | A | 0.4113 | |
| 453 | L | A | -0.5557 | |
| 454 | K | A | -0.8955 | |
| 455 | P | A | -0.4601 | |
| 456 | P | A | -0.4457 | |
| 457 | M | A | -0.4077 | |
| 458 | E | A | -2.2965 | |
| 459 | T | A | -2.1820 | |
| 460 | E | A | -3.4261 | |
| 461 | E | A | -3.1660 | |
| 462 | P | A | -1.4105 | |
| 463 | Q | A | -0.3206 | |
| 464 | I | A | 2.3587 | |
| 465 | F | A | 2.9543 | |
| 466 | Y | A | 2.2544 | |
| 467 | G | A | 0.6472 | |
| 468 | G | A | -0.3625 | |
| 469 | G | A | -0.9974 | |
| 470 | G | A | -1.2012 | |
| 471 | S | A | -1.0876 | |
| 472 | G | A | -1.2158 | |
| 473 | G | A | -1.2337 | |
| 474 | G | A | -1.2298 | |
| 475 | G | A | -1.2325 | |
| 476 | S | A | -1.1018 | |
| 477 | G | A | -1.2446 | |
| 478 | G | A | -1.2465 | |
| 479 | G | A | -1.4684 | |
| 480 | G | A | -1.5899 | |
| 481 | S | A | -1.6639 | |
| 482 | D | A | -2.6120 | |
| 483 | A | A | -1.9845 | |
| 484 | H | A | -2.9111 | |
| 485 | K | A | -3.4601 | |
| 486 | S | A | 0.0000 | |
| 487 | E | A | -2.1165 | |
| 488 | V | A | 0.0000 | |
| 489 | A | A | -2.0312 | |
| 490 | H | A | -1.9177 | |
| 491 | R | A | 0.0000 | |
| 492 | F | A | 0.0000 | |
| 493 | K | A | -2.9250 | |
| 494 | D | A | -2.9018 | |
| 495 | L | A | -2.1472 | |
| 496 | G | A | -2.4737 | |
| 497 | E | A | -3.0924 | |
| 498 | E | A | -2.7811 | |
| 499 | N | A | -2.0444 | |
| 500 | F | A | 0.0000 | |
| 501 | K | A | -1.5538 | |
| 502 | A | A | -0.9812 | |
| 503 | L | A | 0.0000 | |
| 504 | V | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | I | A | 0.0000 | |
| 507 | A | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | A | A | 0.0000 | |
| 510 | Q | A | 0.0000 | |
| 511 | Y | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | Q | A | 0.0000 | |
| 514 | Q | A | -0.4276 | |
| 515 | C | A | 0.0000 | |
| 516 | P | A | -1.1439 | |
| 517 | F | A | 0.0000 | |
| 518 | E | A | -2.7988 | |
| 519 | D | A | -2.4765 | |
| 520 | H | A | 0.0000 | |
| 521 | V | A | -2.1682 | |
| 522 | K | A | -3.2041 | |
| 523 | L | A | 0.0000 | |
| 524 | V | A | 0.0000 | |
| 525 | N | A | -2.9197 | |
| 526 | E | A | -3.3122 | |
| 527 | V | A | 0.0000 | |
| 528 | T | A | 0.0000 | |
| 529 | E | A | -2.9118 | |
| 530 | F | A | -1.7432 | |
| 531 | A | A | 0.0000 | |
| 532 | K | A | -2.2278 | |
| 533 | T | A | -1.6679 | |
| 534 | C | A | 0.0000 | |
| 535 | V | A | -1.3342 | |
| 536 | A | A | -1.1647 | |
| 537 | D | A | -2.6188 | |
| 538 | E | A | -3.4055 | |
| 539 | S | A | -2.4736 | |
| 540 | A | A | -2.2358 | |
| 541 | E | A | -2.9089 | |
| 542 | N | A | -2.3912 | |
| 543 | C | A | 0.0000 | |
| 544 | D | A | -3.6295 | |
| 545 | K | A | -2.3593 | |
| 546 | S | A | -1.2026 | |
| 547 | L | A | 0.0000 | |
| 548 | H | A | -0.8637 | |
| 549 | T | A | -1.0731 | |
| 550 | L | A | -0.8826 | |
| 551 | F | A | 0.0000 | |
| 552 | G | A | 0.0000 | |
| 553 | D | A | -1.4230 | |
| 554 | K | A | -1.2205 | |
| 555 | L | A | 0.0000 | |
| 556 | C | A | -0.3963 | |
| 557 | T | A | -0.3739 | |
| 558 | V | A | 0.0000 | |
| 559 | A | A | -0.1523 | |
| 560 | T | A | -0.1938 | |
| 561 | L | A | 0.0000 | |
| 562 | R | A | -0.9648 | |
| 563 | E | A | -0.7110 | |
| 564 | T | A | -0.6373 | |
| 565 | Y | A | 0.0000 | |
| 566 | G | A | -1.3637 | |
| 567 | E | A | -2.3180 | |
| 568 | M | A | 0.0000 | |
| 569 | A | A | 0.0000 | |
| 570 | D | A | -1.3547 | |
| 571 | C | A | 0.0000 | |
| 572 | C | A | -1.0138 | |
| 573 | A | A | -1.1913 | |
| 574 | K | A | -2.0549 | |
| 575 | Q | A | -2.5148 | |
| 576 | E | A | -2.1322 | |
| 577 | P | A | -1.9566 | |
| 578 | E | A | -2.7727 | |
| 579 | R | A | 0.0000 | |
| 580 | N | A | 0.0000 | |
| 581 | E | A | -1.5222 | |
| 582 | C | A | -1.5771 | |
| 583 | F | A | 0.0000 | |
| 584 | L | A | 0.0000 | |
| 585 | Q | A | -1.3731 | |
| 586 | H | A | -1.1359 | |
| 587 | K | A | 0.0000 | |
| 588 | D | A | 0.0000 | |
| 589 | D | A | -1.3600 | |
| 590 | N | A | -1.8796 | |
| 591 | P | A | 0.0000 | |
| 592 | N | A | -1.8893 | |
| 593 | L | A | -1.0954 | |
| 594 | P | A | -0.6794 | |
| 595 | R | A | -1.1815 | |
| 596 | L | A | 0.9869 | |
| 597 | V | A | 1.1182 | |
| 598 | R | A | -0.5012 | |
| 599 | P | A | -0.8938 | |
| 600 | E | A | -1.9876 | |
| 601 | V | A | 0.0000 | |
| 602 | D | A | -1.6600 | |
| 603 | V | A | 0.0969 | |
| 604 | M | A | 0.0000 | |
| 605 | C | A | 0.0000 | |
| 606 | T | A | -0.9648 | |
| 607 | A | A | -1.0382 | |
| 608 | F | A | 0.0000 | |
| 609 | H | A | -2.5252 | |
| 610 | D | A | -3.0554 | |
| 611 | N | A | -2.8681 | |
| 612 | E | A | -2.8740 | |
| 613 | E | A | -2.8802 | |
| 614 | T | A | -1.6579 | |
| 615 | F | A | -1.4552 | |
| 616 | L | A | -1.1161 | |
| 617 | K | A | -0.9251 | |
| 618 | K | A | -1.0783 | |
| 619 | Y | A | -0.1261 | |
| 620 | L | A | 0.0000 | |
| 621 | Y | A | 0.0000 | |
| 622 | E | A | -0.0954 | |
| 623 | I | A | -0.2360 | |
| 624 | A | A | 0.0000 | |
| 625 | R | A | -0.4850 | |
| 626 | R | A | -0.8392 | |
| 627 | H | A | -0.7245 | |
| 628 | P | A | 0.0000 | |
| 629 | Y | A | -0.2550 | |
| 630 | F | A | 0.0000 | |
| 631 | Y | A | 0.0000 | |
| 632 | A | A | 0.0000 | |
| 633 | P | A | 0.0000 | |
| 634 | E | A | 0.0000 | |
| 635 | L | A | 0.0000 | |
| 636 | L | A | 0.0000 | |
| 637 | F | A | 0.0000 | |
| 638 | F | A | 0.0000 | |
| 639 | A | A | -0.5104 | |
| 640 | K | A | -1.0999 | |
| 641 | R | A | -0.9264 | |
| 642 | Y | A | -0.7490 | |
| 643 | K | A | -1.4005 | |
| 644 | A | A | -1.1102 | |
| 645 | A | A | 0.0000 | |
| 646 | F | A | 0.0000 | |
| 647 | T | A | -1.5463 | |
| 648 | E | A | -2.3229 | |
| 649 | C | A | 0.0000 | |
| 650 | C | A | 0.0000 | |
| 651 | Q | A | -2.0994 | |
| 652 | A | A | -1.7398 | |
| 653 | A | A | -1.2456 | |
| 654 | D | A | -2.2164 | |
| 655 | K | A | -2.2225 | |
| 656 | A | A | -1.3004 | |
| 657 | A | A | -0.6693 | |
| 658 | C | A | -1.0170 | |
| 659 | L | A | 0.0000 | |
| 660 | L | A | -0.6910 | |
| 661 | P | A | -1.3991 | |
| 662 | K | A | -1.8469 | |
| 663 | L | A | -2.2697 | |
| 664 | D | A | -3.4834 | |
| 665 | E | A | -4.1686 | |
| 666 | L | A | 0.0000 | |
| 667 | R | A | -4.3556 | |
| 668 | D | A | -4.4840 | |
| 669 | E | A | -3.3615 | |
| 670 | G | A | -2.8723 | |
| 671 | K | A | -3.2106 | |
| 672 | A | A | -1.9888 | |
| 673 | S | A | -1.5366 | |
| 674 | S | A | -1.0879 | |
| 675 | A | A | -1.1369 | |
| 676 | K | A | -1.4069 | |
| 677 | Q | A | 0.0000 | |
| 678 | R | A | -0.7286 | |
| 679 | L | A | 0.0000 | |
| 680 | K | A | -0.8126 | |
| 681 | C | A | 0.0000 | |
| 682 | A | A | 0.0000 | |
| 683 | S | A | 0.0000 | |
| 684 | L | A | 0.0000 | |
| 685 | Q | A | -0.4949 | |
| 686 | K | A | -0.3899 | |
| 687 | F | A | -0.9450 | |
| 688 | G | A | -1.5041 | |
| 689 | E | A | -2.8315 | |
| 690 | R | A | -3.0373 | |
| 691 | A | A | -1.6117 | |
| 692 | F | A | 0.0000 | |
| 693 | K | A | -1.9514 | |
| 694 | A | A | -1.3462 | |
| 695 | W | A | -0.7263 | |
| 696 | A | A | 0.0000 | |
| 697 | V | A | 0.0000 | |
| 698 | A | A | 0.0000 | |
| 699 | R | A | -0.7072 | |
| 700 | L | A | -0.2826 | |
| 701 | S | A | 0.0000 | |
| 702 | Q | A | 0.0000 | |
| 703 | R | A | -1.6473 | |
| 704 | F | A | 0.0000 | |
| 705 | P | A | 0.0000 | |
| 706 | K | A | -2.1460 | |
| 707 | A | A | 0.0000 | |
| 708 | E | A | -2.0929 | |
| 709 | F | A | -0.8022 | |
| 710 | A | A | -0.8265 | |
| 711 | E | A | -1.2366 | |
| 712 | V | A | 0.0000 | |
| 713 | S | A | -0.9149 | |
| 714 | K | A | -1.5734 | |
| 715 | L | A | 0.0000 | |
| 716 | V | A | 0.0000 | |
| 717 | T | A | -1.6351 | |
| 718 | D | A | -2.0082 | |
| 719 | L | A | -1.0434 | |
| 720 | T | A | 0.0000 | |
| 721 | K | A | -2.0681 | |
| 722 | V | A | 0.0000 | |
| 723 | H | A | 0.0000 | |
| 724 | T | A | -1.1813 | |
| 725 | E | A | -0.9777 | |
| 726 | C | A | 0.0000 | |
| 727 | C | A | 0.0000 | |
| 728 | H | A | -0.5431 | |
| 729 | G | A | -0.4378 | |
| 730 | D | A | -0.5395 | |
| 731 | L | A | 0.0000 | |
| 732 | L | A | 0.0000 | |
| 733 | E | A | -1.0108 | |
| 734 | C | A | 0.0000 | |
| 735 | A | A | 0.0000 | |
| 736 | D | A | -1.2813 | |
| 737 | D | A | -1.7682 | |
| 738 | R | A | 0.0000 | |
| 739 | A | A | -1.4849 | |
| 740 | D | A | -2.5202 | |
| 741 | L | A | 0.0000 | |
| 742 | A | A | 0.0000 | |
| 743 | K | A | -2.6447 | |
| 744 | Y | A | -1.6682 | |
| 745 | I | A | 0.0000 | |
| 746 | C | A | -2.6142 | |
| 747 | E | A | -2.6201 | |
| 748 | N | A | -2.0612 | |
| 749 | Q | A | -2.4347 | |
| 750 | D | A | -2.8624 | |
| 751 | S | A | -2.0569 | |
| 752 | I | A | 0.0000 | |
| 753 | S | A | 0.0000 | |
| 754 | S | A | -2.1556 | |
| 755 | K | A | -2.6414 | |
| 756 | L | A | 0.0000 | |
| 757 | K | A | -3.3948 | |
| 758 | E | A | -3.4227 | |
| 759 | C | A | 0.0000 | |
| 760 | C | A | -2.7571 | |
| 761 | E | A | -3.1253 | |
| 762 | K | A | -2.3262 | |
| 763 | P | A | -0.8191 | |
| 764 | L | A | -0.3795 | |
| 765 | L | A | -0.0171 | |
| 766 | E | A | -0.8064 | |
| 767 | K | A | -1.2364 | |
| 768 | S | A | 0.0000 | |
| 769 | H | A | -0.7010 | |
| 770 | C | A | -1.2171 | |
| 771 | I | A | 0.0000 | |
| 772 | A | A | -1.1648 | |
| 773 | E | A | -2.3365 | |
| 774 | V | A | 0.0000 | |
| 775 | E | A | -2.9164 | |
| 776 | N | A | -2.3425 | |
| 777 | D | A | 0.0000 | |
| 778 | E | A | -2.3804 | |
| 779 | M | A | -1.2196 | |
| 780 | P | A | -1.0188 | |
| 781 | A | A | -1.0526 | |
| 782 | D | A | -1.6803 | |
| 783 | L | A | -0.7538 | |
| 784 | P | A | -0.8817 | |
| 785 | S | A | -0.9435 | |
| 786 | L | A | -0.7027 | |
| 787 | A | A | -0.9902 | |
| 788 | A | A | -1.7643 | |
| 789 | D | A | -2.8037 | |
| 790 | F | A | 0.0000 | |
| 791 | V | A | 0.0000 | |
| 792 | E | A | -3.1804 | |
| 793 | S | A | -3.0792 | |
| 794 | K | A | -3.7447 | |
| 795 | D | A | -4.1014 | |
| 796 | V | A | 0.0000 | |
| 797 | C | A | -2.5131 | |
| 798 | K | A | -3.6922 | |
| 799 | N | A | -3.2669 | |
| 800 | Y | A | 0.0000 | |
| 801 | A | A | -2.5815 | |
| 802 | E | A | -2.8366 | |
| 803 | A | A | -1.7796 | |
| 804 | K | A | -2.3108 | |
| 805 | D | A | -1.8695 | |
| 806 | V | A | 0.3015 | |
| 807 | F | A | 0.0000 | |
| 808 | L | A | 0.0000 | |
| 809 | G | A | -0.0446 | |
| 810 | M | A | 0.3597 | |
| 811 | F | A | 0.0000 | |
| 812 | L | A | 0.0000 | |
| 813 | Y | A | 0.0000 | |
| 814 | E | A | -0.6184 | |
| 815 | Y | A | 0.0000 | |
| 816 | A | A | 0.0000 | |
| 817 | R | A | -0.9581 | |
| 818 | R | A | -0.4617 | |
| 819 | H | A | -0.5617 | |
| 820 | P | A | -1.1405 | |
| 821 | D | A | -1.5002 | |
| 822 | Y | A | -0.6576 | |
| 823 | S | A | 0.0000 | |
| 824 | V | A | 0.0000 | |
| 825 | V | A | 0.0000 | |
| 826 | L | A | 0.0000 | |
| 827 | L | A | 0.0000 | |
| 828 | L | A | 0.0000 | |
| 829 | R | A | 0.0000 | |
| 830 | L | A | 0.0000 | |
| 831 | A | A | -0.8897 | |
| 832 | K | A | -1.7357 | |
| 833 | T | A | -1.2370 | |
| 834 | Y | A | 0.0000 | |
| 835 | E | A | -2.0730 | |
| 836 | T | A | -1.6871 | |
| 837 | T | A | -1.7800 | |
| 838 | L | A | 0.0000 | |
| 839 | E | A | -2.5419 | |
| 840 | K | A | -2.4391 | |
| 841 | C | A | 0.0000 | |
| 842 | C | A | -1.2452 | |
| 843 | A | A | -0.9370 | |
| 844 | A | A | -1.2591 | |
| 845 | A | A | -1.0037 | |
| 846 | D | A | -2.3372 | |
| 847 | P | A | -2.0649 | |
| 848 | H | A | -2.7641 | |
| 849 | E | A | -2.8898 | |
| 850 | C | A | -1.8174 | |
| 851 | Y | A | 0.0000 | |
| 852 | A | A | -1.9387 | |
| 853 | K | A | -2.6593 | |
| 854 | V | A | 0.0000 | |
| 855 | F | A | -1.6278 | |
| 856 | D | A | -3.2600 | |
| 857 | E | A | -2.9365 | |
| 858 | F | A | 0.0000 | |
| 859 | K | A | -2.9321 | |
| 860 | P | A | -2.1331 | |
| 861 | L | A | -1.3698 | |
| 862 | V | A | 0.0000 | |
| 863 | E | A | -2.2089 | |
| 864 | E | A | -1.8990 | |
| 865 | P | A | 0.0000 | |
| 866 | Q | A | -2.4336 | |
| 867 | N | A | -2.4776 | |
| 868 | L | A | -1.5791 | |
| 869 | I | A | 0.0000 | |
| 870 | K | A | -3.0983 | |
| 871 | Q | A | -2.6477 | |
| 872 | N | A | -1.9457 | |
| 873 | C | A | 0.0000 | |
| 874 | E | A | -3.2562 | |
| 875 | L | A | -2.1804 | |
| 876 | F | A | -2.3098 | |
| 877 | E | A | -3.1164 | |
| 878 | Q | A | -2.5818 | |
| 879 | L | A | -1.7214 | |
| 880 | G | A | -1.6480 | |
| 881 | E | A | -1.8591 | |
| 882 | Y | A | -1.3416 | |
| 883 | K | A | -1.9208 | |
| 884 | F | A | 0.0000 | |
| 885 | Q | A | 0.0000 | |
| 886 | N | A | -1.1806 | |
| 887 | A | A | -0.8383 | |
| 888 | L | A | 0.0000 | |
| 889 | L | A | 0.0000 | |
| 890 | V | A | 0.0000 | |
| 891 | R | A | -1.0192 | |
| 892 | Y | A | 0.0000 | |
| 893 | T | A | 0.0000 | |
| 894 | K | A | -1.1313 | |
| 895 | K | A | -0.9928 | |
| 896 | V | A | 0.0000 | |
| 897 | P | A | 0.0000 | |
| 898 | Q | A | -0.6535 | |
| 899 | V | A | 0.0000 | |
| 900 | S | A | 0.1370 | |
| 901 | T | A | 0.0000 | |
| 902 | P | A | -0.5860 | |
| 903 | T | A | -0.8166 | |
| 904 | L | A | 0.0000 | |
| 905 | V | A | 0.0000 | |
| 906 | E | A | -1.8859 | |
| 907 | V | A | 0.0000 | |
| 908 | S | A | 0.0000 | |
| 909 | R | A | -1.1162 | |
| 910 | N | A | -0.9635 | |
| 911 | L | A | 0.0000 | |
| 912 | G | A | 0.0000 | |
| 913 | K | A | -1.3062 | |
| 914 | V | A | 0.0000 | |
| 915 | G | A | 0.0000 | |
| 916 | S | A | -1.6544 | |
| 917 | K | A | -1.6296 | |
| 918 | C | A | 0.0000 | |
| 919 | C | A | 0.0000 | |
| 920 | K | A | -2.7658 | |
| 921 | H | A | -2.2890 | |
| 922 | P | A | -2.2185 | |
| 923 | E | A | -3.1478 | |
| 924 | A | A | -2.0531 | |
| 925 | K | A | -2.7173 | |
| 926 | R | A | -2.4961 | |
| 927 | M | A | 0.0000 | |
| 928 | P | A | -0.7292 | |
| 929 | C | A | -0.6480 | |
| 930 | A | A | 0.0000 | |
| 931 | E | A | 0.0000 | |
| 932 | D | A | -0.2269 | |
| 933 | Y | A | -0.2352 | |
| 934 | L | A | 0.0191 | |
| 935 | S | A | 0.0000 | |
| 936 | V | A | 0.0000 | |
| 937 | V | A | 0.0000 | |
| 938 | L | A | 0.0000 | |
| 939 | N | A | 0.0000 | |
| 940 | Q | A | -0.6521 | |
| 941 | L | A | 0.0000 | |
| 942 | C | A | 0.0000 | |
| 943 | V | A | 0.0000 | |
| 944 | L | A | -0.8645 | |
| 945 | H | A | 0.0000 | |
| 946 | E | A | -1.5628 | |
| 947 | K | A | -1.6973 | |
| 948 | T | A | -0.4845 | |
| 949 | P | A | -0.7854 | |
| 950 | V | A | -0.1788 | |
| 951 | S | A | 0.0000 | |
| 952 | D | A | -2.0308 | |
| 953 | R | A | -1.3020 | |
| 954 | V | A | 0.0000 | |
| 955 | T | A | -1.4359 | |
| 956 | K | A | -1.7408 | |
| 957 | C | A | 0.0000 | |
| 958 | C | A | 0.0000 | |
| 959 | T | A | -1.3192 | |
| 960 | E | A | -2.1700 | |
| 961 | S | A | -1.1613 | |
| 962 | L | A | 0.0000 | |
| 963 | V | A | 0.0000 | |
| 964 | N | A | -0.9740 | |
| 965 | R | A | 0.0000 | |
| 966 | R | A | 0.0000 | |
| 967 | P | A | -0.2287 | |
| 968 | C | A | -0.3859 | |
| 969 | F | A | 0.0000 | |
| 970 | S | A | -0.3808 | |
| 971 | A | A | -0.2495 | |
| 972 | L | A | -0.6737 | |
| 973 | E | A | -1.7523 | |
| 974 | V | A | -0.9095 | |
| 975 | D | A | 0.0000 | |
| 976 | E | A | -1.7878 | |
| 977 | T | A | -0.3193 | |
| 978 | Y | A | 0.1145 | |
| 979 | V | A | 0.7548 | |
| 980 | P | A | -0.7223 | |
| 981 | K | A | -2.3984 | |
| 982 | E | A | -2.6227 | |
| 983 | F | A | -1.6102 | |
| 984 | N | A | -2.2552 | |
| 985 | A | A | -1.6142 | |
| 986 | E | A | -2.0642 | |
| 987 | T | A | -1.1388 | |
| 988 | F | A | -0.7331 | |
| 989 | T | A | -1.0823 | |
| 990 | F | A | -1.2660 | |
| 991 | H | A | -1.7586 | |
| 992 | A | A | -1.8895 | |
| 993 | D | A | -2.1513 | |
| 994 | I | A | 0.0000 | |
| 995 | C | A | -1.3328 | |
| 996 | T | A | -0.7641 | |
| 997 | L | A | -1.3246 | |
| 998 | S | A | -1.7229 | |
| 999 | E | A | -3.0408 | |
| 1000 | K | A | -3.0270 | |
| 1001 | E | A | -2.4776 | |
| 1002 | R | A | -2.2153 | |
| 1003 | Q | A | -1.8772 | |
| 1004 | I | A | -1.4818 | |
| 1005 | K | A | -1.4736 | |
| 1006 | K | A | -0.9338 | |
| 1007 | Q | A | 0.0000 | |
| 1008 | T | A | -0.6302 | |
| 1009 | A | A | 0.0000 | |
| 1010 | L | A | 0.0000 | |
| 1011 | V | A | 0.0000 | |
| 1012 | E | A | -0.9162 | |
| 1013 | L | A | 0.0000 | |
| 1014 | V | A | 0.0000 | |
| 1015 | K | A | 0.0000 | |
| 1016 | H | A | 0.0000 | |
| 1017 | K | A | -1.0450 | |
| 1018 | P | A | -1.1700 | |
| 1019 | K | A | -2.1406 | |
| 1020 | A | A | 0.0000 | |
| 1021 | T | A | -2.1501 | |
| 1022 | K | A | -3.0245 | |
| 1023 | E | A | -3.2927 | |
| 1024 | Q | A | -2.6527 | |
| 1025 | L | A | 0.0000 | |
| 1026 | K | A | -3.5682 | |
| 1027 | A | A | -2.6614 | |
| 1028 | V | A | 0.0000 | |
| 1029 | M | A | -2.1937 | |
| 1030 | D | A | -3.0723 | |
| 1031 | D | A | -2.9633 | |
| 1032 | F | A | 0.0000 | |
| 1033 | A | A | -1.7904 | |
| 1034 | A | A | -1.9335 | |
| 1035 | F | A | 0.0000 | |
| 1036 | V | A | 0.0000 | |
| 1037 | E | A | -2.8673 | |
| 1038 | K | A | -2.6412 | |
| 1039 | C | A | 0.0000 | |
| 1040 | C | A | -2.6960 | |
| 1041 | K | A | -3.1753 | |
| 1042 | A | A | -3.0056 | |
| 1043 | D | A | -3.2295 | |
| 1044 | D | A | -3.2606 | |
| 1045 | K | A | -3.2585 | |
| 1046 | E | A | -2.8982 | |
| 1047 | T | A | -2.1741 | |
| 1048 | C | A | -2.6420 | |
| 1049 | F | A | 0.0000 | |
| 1050 | A | A | -2.2449 | |
| 1051 | E | A | -3.2244 | |
| 1052 | E | A | -2.8722 | |
| 1053 | G | A | -2.2147 | |
| 1054 | K | A | -3.1114 | |
| 1055 | K | A | -3.0229 | |
| 1056 | L | A | -1.7948 | |
| 1057 | V | A | -0.8041 | |
| 1058 | A | A | -0.7189 | |
| 1059 | A | A | -0.5817 | |
| 1060 | S | A | -0.4813 | |
| 1061 | Q | A | 0.1936 | |
| 1062 | A | A | 0.3577 | |
| 1063 | A | A | 0.0909 | |
| 1064 | L | A | 0.0000 | |
| 1065 | G | A | 0.2184 | |
| 1066 | L | A | 1.2759 | |
| 1 | M | B | 0.6580 | |
| 2 | E | B | -0.2937 | |
| 3 | F | B | 1.5682 | |
| 4 | G | B | 0.9076 | |
| 5 | L | B | 2.1692 | |
| 6 | S | B | 2.1322 | |
| 7 | W | B | 3.2057 | |
| 8 | V | B | 4.2338 | |
| 9 | F | B | 4.5101 | |
| 10 | L | B | 4.3874 | |
| 11 | V | B | 4.2553 | |
| 12 | A | B | 2.8456 | |
| 13 | L | B | 2.5950 | |
| 14 | F | B | 2.2887 | |
| 15 | R | B | -0.2314 | |
| 16 | G | B | 0.1489 | |
| 17 | V | B | 1.2732 | |
| 18 | Q | B | -0.0309 | |
| 19 | C | B | 1.0645 | |
| 20 | L | B | 1.2576 | |
| 21 | N | B | 0.0940 | |
| 22 | F | B | 0.0000 | |
| 23 | R | B | 0.0000 | |
| 24 | A | B | 0.0000 | |
| 25 | P | B | -0.0808 | |
| 26 | P | B | -0.0869 | |
| 27 | V | B | 0.4337 | |
| 28 | I | B | 0.2510 | |
| 29 | P | B | -0.5115 | |
| 30 | N | B | -1.1457 | |
| 31 | V | B | -0.0198 | |
| 32 | P | B | -0.3152 | |
| 33 | F | B | 0.0000 | |
| 34 | L | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | A | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | N | B | 0.0000 | |
| 39 | A | B | 0.0000 | |
| 40 | P | B | 0.0000 | |
| 41 | S | B | 0.0000 | |
| 42 | E | B | -0.8035 | |
| 43 | F | B | -0.9332 | |
| 44 | C | B | 0.0000 | |
| 45 | L | B | -0.3413 | |
| 46 | G | B | 0.0000 | |
| 47 | K | B | -0.7538 | |
| 48 | F | B | 0.1283 | |
| 49 | D | B | -0.6381 | |
| 50 | E | B | -0.9509 | |
| 51 | P | B | -0.8927 | |
| 52 | L | B | 0.0000 | |
| 53 | D | B | -1.0697 | |
| 54 | M | B | -0.0559 | |
| 55 | S | B | -0.6115 | |
| 56 | L | B | -0.1373 | |
| 57 | F | B | 0.0000 | |
| 58 | S | B | 0.2713 | |
| 59 | F | B | 0.0000 | |
| 60 | I | B | 0.9174 | |
| 61 | G | B | 0.0000 | |
| 62 | S | B | 0.0007 | |
| 63 | P | B | 0.3534 | |
| 64 | R | B | 0.2848 | |
| 65 | I | B | 1.0237 | |
| 66 | N | B | -0.2798 | |
| 67 | A | B | -0.1777 | |
| 68 | T | B | -0.0160 | |
| 69 | G | B | -0.3936 | |
| 70 | Q | B | -0.2557 | |
| 71 | G | B | -0.0719 | |
| 72 | V | B | 0.0000 | |
| 73 | T | B | 0.0000 | |
| 74 | I | B | 0.0000 | |
| 75 | F | B | 0.0000 | |
| 76 | Y | B | -0.1694 | |
| 77 | V | B | -0.5865 | |
| 78 | D | B | -1.2898 | |
| 79 | R | B | -0.3986 | |
| 80 | L | B | 0.0000 | |
| 81 | G | B | 0.0000 | |
| 82 | Y | B | -0.4533 | |
| 83 | Y | B | 0.0000 | |
| 84 | P | B | 0.0000 | |
| 85 | Y | B | 0.0825 | |
| 86 | I | B | 0.0000 | |
| 87 | D | B | 0.3885 | |
| 88 | S | B | 0.5293 | |
| 89 | I | B | 1.6891 | |
| 90 | T | B | 0.9288 | |
| 91 | G | B | 0.5370 | |
| 92 | V | B | 1.2498 | |
| 93 | T | B | 0.2961 | |
| 94 | V | B | 0.1723 | |
| 95 | N | B | -0.3528 | |
| 96 | G | B | -0.7511 | |
| 97 | G | B | 0.0000 | |
| 98 | I | B | 0.0000 | |
| 99 | P | B | 0.0000 | |
| 100 | Q | B | -1.6037 | |
| 101 | K | B | -1.6990 | |
| 102 | I | B | -0.9735 | |
| 103 | S | B | -1.1783 | |
| 104 | L | B | -1.3321 | |
| 105 | Q | B | -2.4192 | |
| 106 | D | B | -2.9265 | |
| 107 | H | B | 0.0000 | |
| 108 | L | B | -2.2864 | |
| 109 | D | B | -3.4045 | |
| 110 | K | B | -2.6269 | |
| 111 | A | B | 0.0000 | |
| 112 | K | B | -2.2651 | |
| 113 | K | B | -2.3797 | |
| 114 | D | B | 0.0000 | |
| 115 | I | B | 0.0000 | |
| 116 | T | B | -0.2557 | |
| 117 | F | B | 0.4569 | |
| 118 | Y | B | 0.0000 | |
| 119 | M | B | 0.0000 | |
| 120 | P | B | 0.4992 | |
| 121 | V | B | 0.9768 | |
| 122 | D | B | -0.6594 | |
| 123 | N | B | -1.2800 | |
| 124 | L | B | -0.3713 | |
| 125 | G | B | 0.0000 | |
| 126 | M | B | 0.0000 | |
| 127 | A | B | 0.0000 | |
| 128 | V | B | 0.0000 | |
| 129 | I | B | 0.0000 | |
| 130 | D | B | -0.5157 | |
| 131 | W | B | 0.0000 | |
| 132 | E | B | -1.3021 | |
| 133 | E | B | -1.0333 | |
| 134 | W | B | 0.0000 | |
| 135 | R | B | -0.7117 | |
| 136 | P | B | 0.0000 | |
| 137 | T | B | -0.8394 | |
| 138 | W | B | 0.0000 | |
| 139 | A | B | -0.2383 | |
| 140 | R | B | 0.0000 | |
| 141 | N | B | 0.0000 | |
| 142 | W | B | -0.4054 | |
| 143 | K | B | -1.0162 | |
| 144 | P | B | -0.7391 | |
| 145 | K | B | -0.6753 | |
| 146 | D | B | 0.0000 | |
| 147 | V | B | -0.6450 | |
| 148 | Y | B | 0.0000 | |
| 149 | K | B | -0.8044 | |
| 150 | N | B | -1.0172 | |
| 151 | R | B | -1.0678 | |
| 152 | S | B | 0.0000 | |
| 153 | I | B | 0.0000 | |
| 154 | E | B | -0.8075 | |
| 155 | L | B | -1.2659 | |
| 156 | V | B | -1.4441 | |
| 157 | Q | B | -1.0197 | |
| 158 | Q | B | -1.4624 | |
| 159 | Q | B | -1.8183 | |
| 160 | N | B | -1.2435 | |
| 161 | V | B | 0.1450 | |
| 162 | Q | B | -1.1597 | |
| 163 | L | B | -0.6881 | |
| 164 | S | B | -0.1648 | |
| 165 | L | B | 0.5010 | |
| 166 | T | B | -0.9112 | |
| 167 | E | B | -2.2131 | |
| 168 | A | B | 0.0000 | |
| 169 | T | B | -2.0966 | |
| 170 | E | B | -3.5529 | |
| 171 | K | B | -3.5712 | |
| 172 | A | B | 0.0000 | |
| 173 | K | B | -3.3496 | |
| 174 | Q | B | -3.8277 | |
| 175 | E | B | -3.7909 | |
| 176 | F | B | 0.0000 | |
| 177 | E | B | -2.8341 | |
| 178 | K | B | -3.0617 | |
| 179 | A | B | -2.1096 | |
| 180 | G | B | 0.0000 | |
| 181 | K | B | -1.8062 | |
| 182 | D | B | -1.4762 | |
| 183 | F | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | V | B | -1.0887 | |
| 186 | E | B | -1.6272 | |
| 187 | T | B | 0.0000 | |
| 188 | I | B | 0.0000 | |
| 189 | K | B | -0.9857 | |
| 190 | L | B | -0.4692 | |
| 191 | G | B | 0.0000 | |
| 192 | K | B | -0.3048 | |
| 193 | L | B | 0.9367 | |
| 194 | L | B | 0.4272 | |
| 195 | R | B | -0.3543 | |
| 196 | P | B | -0.8375 | |
| 197 | N | B | -1.3674 | |
| 198 | H | B | 0.0000 | |
| 199 | L | B | -0.0998 | |
| 200 | W | B | 0.0000 | |
| 201 | G | B | 0.0000 | |
| 202 | Y | B | 0.0000 | |
| 203 | Y | B | 0.0288 | |
| 204 | L | B | 0.1139 | |
| 205 | F | B | 0.1777 | |
| 206 | P | B | 0.0000 | |
| 207 | D | B | 0.0000 | |
| 208 | C | B | 0.0000 | |
| 209 | Y | B | 0.0000 | |
| 210 | N | B | 0.0000 | |
| 211 | H | B | -1.0338 | |
| 212 | H | B | -1.4147 | |
| 213 | Y | B | -1.1921 | |
| 214 | K | B | -2.3307 | |
| 215 | K | B | -1.5751 | |
| 216 | P | B | -1.1235 | |
| 217 | G | B | -1.1261 | |
| 218 | Y | B | -0.9761 | |
| 219 | N | B | -1.0942 | |
| 220 | G | B | 0.0000 | |
| 221 | S | B | -0.5723 | |
| 222 | C | B | -0.1445 | |
| 223 | F | B | 0.0766 | |
| 224 | N | B | -0.9770 | |
| 225 | V | B | -0.3108 | |
| 226 | E | B | 0.0000 | |
| 227 | I | B | -1.0355 | |
| 228 | K | B | -2.3022 | |
| 229 | R | B | -1.6854 | |
| 230 | N | B | 0.0000 | |
| 231 | D | B | -1.9286 | |
| 232 | D | B | -2.5175 | |
| 233 | L | B | 0.0000 | |
| 234 | S | B | -1.0246 | |
| 235 | W | B | -0.7333 | |
| 236 | L | B | 0.0000 | |
| 237 | W | B | 0.0000 | |
| 238 | N | B | -1.4723 | |
| 239 | E | B | -1.2277 | |
| 240 | S | B | 0.0000 | |
| 241 | T | B | -0.4124 | |
| 242 | A | B | 0.0000 | |
| 243 | L | B | 0.0000 | |
| 244 | Y | B | 0.0000 | |
| 245 | P | B | 0.0000 | |
| 246 | S | B | 0.0000 | |
| 247 | I | B | 0.0000 | |
| 248 | Y | B | 0.1659 | |
| 249 | L | B | 0.0000 | |
| 250 | N | B | -1.0609 | |
| 251 | T | B | -1.3937 | |
| 252 | Q | B | -1.8069 | |
| 253 | Q | B | -0.8542 | |
| 254 | S | B | -0.2363 | |
| 255 | P | B | 0.0885 | |
| 256 | V | B | 1.5114 | |
| 257 | A | B | 0.0000 | |
| 258 | A | B | 0.0000 | |
| 259 | T | B | 0.0000 | |
| 260 | L | B | 0.1044 | |
| 261 | Y | B | 0.0000 | |
| 262 | V | B | 0.0000 | |
| 263 | R | B | 0.0000 | |
| 264 | N | B | 0.0000 | |
| 265 | R | B | 0.0000 | |
| 266 | V | B | 0.0000 | |
| 267 | R | B | -1.4572 | |
| 268 | E | B | 0.0000 | |
| 269 | A | B | 0.0000 | |
| 270 | I | B | 0.0000 | |
| 271 | R | B | -0.9373 | |
| 272 | V | B | 0.0000 | |
| 273 | S | B | 0.0000 | |
| 274 | K | B | -1.1533 | |
| 275 | I | B | -0.6908 | |
| 276 | P | B | -1.2109 | |
| 277 | D | B | -1.9737 | |
| 278 | A | B | -1.1545 | |
| 279 | K | B | -1.6152 | |
| 280 | S | B | -1.3463 | |
| 281 | P | B | 0.0000 | |
| 282 | L | B | -0.4672 | |
| 283 | P | B | 0.0534 | |
| 284 | V | B | 0.0000 | |
| 285 | F | B | 0.0000 | |
| 286 | A | B | 0.0000 | |
| 287 | Y | B | 0.0000 | |
| 288 | T | B | 0.0000 | |
| 289 | R | B | 0.0000 | |
| 290 | I | B | 0.0000 | |
| 291 | V | B | 0.0000 | |
| 292 | F | B | 0.0000 | |
| 293 | T | B | -0.7807 | |
| 294 | D | B | -1.7891 | |
| 295 | Q | B | -1.0680 | |
| 296 | V | B | 0.0950 | |
| 297 | L | B | 0.4939 | |
| 298 | K | B | -0.8067 | |
| 299 | F | B | 0.0182 | |
| 300 | L | B | 0.0000 | |
| 301 | S | B | -1.0551 | |
| 302 | Q | B | -1.3338 | |
| 303 | D | B | -2.1755 | |
| 304 | E | B | -1.2972 | |
| 305 | L | B | 0.0000 | |
| 306 | V | B | -0.6483 | |
| 307 | Y | B | -0.1475 | |
| 308 | T | B | 0.0000 | |
| 309 | F | B | 0.0000 | |
| 310 | G | B | 0.0000 | |
| 311 | E | B | 0.0000 | |
| 312 | T | B | 0.0000 | |
| 313 | V | B | 0.0000 | |
| 314 | A | B | 0.0000 | |
| 315 | L | B | 0.0000 | |
| 316 | G | B | 0.0000 | |
| 317 | A | B | 0.0000 | |
| 318 | S | B | 0.0859 | |
| 319 | G | B | 0.0000 | |
| 320 | I | B | 0.0000 | |
| 321 | V | B | 0.0000 | |
| 322 | I | B | 0.0000 | |
| 323 | W | B | 0.1835 | |
| 324 | G | B | 0.0000 | |
| 325 | T | B | 0.3506 | |
| 326 | L | B | 0.5200 | |
| 327 | S | B | 0.3556 | |
| 328 | I | B | 0.0000 | |
| 329 | M | B | 0.0000 | |
| 330 | R | B | -1.6140 | |
| 331 | S | B | -0.8876 | |
| 332 | M | B | -0.5209 | |
| 333 | K | B | -1.3667 | |
| 334 | S | B | 0.0000 | |
| 335 | C | B | 0.0000 | |
| 336 | L | B | 0.1273 | |
| 337 | L | B | 0.3960 | |
| 338 | L | B | 0.0000 | |
| 339 | D | B | -0.6892 | |
| 340 | N | B | -0.4258 | |
| 341 | Y | B | 0.0000 | |
| 342 | M | B | 0.0000 | |
| 343 | E | B | -1.1150 | |
| 344 | T | B | -0.4716 | |
| 345 | I | B | 0.0233 | |
| 346 | L | B | 0.0000 | |
| 347 | N | B | 0.0000 | |
| 348 | P | B | -0.1724 | |
| 349 | Y | B | 0.0000 | |
| 350 | I | B | 0.0000 | |
| 351 | I | B | 0.0000 | |
| 352 | N | B | -0.2816 | |
| 353 | V | B | 0.0000 | |
| 354 | T | B | 0.0000 | |
| 355 | L | B | 0.0000 | |
| 356 | A | B | 0.0000 | |
| 357 | A | B | -0.0516 | |
| 358 | K | B | 0.0000 | |
| 359 | M | B | 0.0000 | |
| 360 | C | B | 0.0000 | |
| 361 | S | B | 0.0000 | |
| 362 | Q | B | -1.3500 | |
| 363 | V | B | 0.0000 | |
| 364 | L | B | 0.0000 | |
| 365 | C | B | 0.0000 | |
| 366 | Q | B | -2.2412 | |
| 367 | E | B | -1.9826 | |
| 368 | Q | B | -1.6369 | |
| 369 | G | B | 0.0000 | |
| 370 | V | B | -0.1879 | |
| 371 | C | B | 0.0000 | |
| 372 | I | B | 0.0000 | |
| 373 | R | B | 0.0000 | |
| 374 | K | B | -2.3528 | |
| 375 | N | B | -2.2734 | |
| 376 | W | B | -1.5375 | |
| 377 | N | B | -1.8258 | |
| 378 | S | B | -1.3253 | |
| 379 | S | B | -0.7438 | |
| 380 | D | B | -1.1303 | |
| 381 | Y | B | -0.1651 | |
| 382 | L | B | 0.0000 | |
| 383 | H | B | -0.4204 | |
| 384 | L | B | 0.0000 | |
| 385 | N | B | -1.6205 | |
| 386 | P | B | -1.4099 | |
| 387 | D | B | -2.3737 | |
| 388 | N | B | -2.2008 | |
| 389 | F | B | 0.0000 | |
| 390 | A | B | -1.3329 | |
| 391 | I | B | -0.5218 | |
| 392 | Q | B | -1.5459 | |
| 393 | L | B | -1.2050 | |
| 394 | E | B | -2.0517 | |
| 395 | K | B | -2.6000 | |
| 396 | G | B | -1.8018 | |
| 397 | G | B | -2.0895 | |
| 398 | K | B | -2.5464 | |
| 399 | F | B | 0.0000 | |
| 400 | T | B | -1.1866 | |
| 401 | V | B | -1.3259 | |
| 402 | R | B | -2.5659 | |
| 403 | G | B | -2.5602 | |
| 404 | K | B | -2.4740 | |
| 405 | P | B | 0.0000 | |
| 406 | T | B | -1.1761 | |
| 407 | L | B | -1.7508 | |
| 408 | E | B | -2.3512 | |
| 409 | D | B | 0.0000 | |
| 410 | L | B | 0.0000 | |
| 411 | E | B | -2.8050 | |
| 412 | Q | B | -2.5252 | |
| 413 | F | B | 0.0000 | |
| 414 | S | B | -2.3818 | |
| 415 | E | B | -2.8263 | |
| 416 | K | B | -2.5166 | |
| 417 | F | B | 0.0000 | |
| 418 | Y | B | -0.8529 | |
| 419 | C | B | -0.9587 | |
| 420 | S | B | 0.0000 | |
| 421 | C | B | -0.6501 | |
| 422 | Y | B | 0.0000 | |
| 423 | S | B | -0.5360 | |
| 424 | T | B | -0.1919 | |
| 425 | L | B | -0.0065 | |
| 426 | S | B | -0.2361 | |
| 427 | C | B | 0.0000 | |
| 428 | K | B | -2.6391 | |
| 429 | E | B | -2.7312 | |
| 430 | K | B | -2.4320 | |
| 431 | A | B | -1.9562 | |
| 432 | D | B | -2.9732 | |
| 433 | V | B | 0.0000 | |
| 434 | K | B | -3.1144 | |
| 435 | D | B | -3.3147 | |
| 436 | T | B | 0.0000 | |
| 437 | D | B | -2.0785 | |
| 438 | A | B | -1.2653 | |
| 439 | V | B | 0.0000 | |
| 440 | D | B | -2.1860 | |
| 441 | V | B | 0.0000 | |
| 442 | C | B | -0.5589 | |
| 443 | I | B | 0.1255 | |
| 444 | A | B | -0.7345 | |
| 445 | D | B | -1.9101 | |
| 446 | G | B | -1.1212 | |
| 447 | V | B | 0.0000 | |
| 448 | C | B | -1.0563 | |
| 449 | I | B | 0.0000 | |
| 450 | D | B | -2.5663 | |
| 451 | A | B | -1.1502 | |
| 452 | F | B | 0.3998 | |
| 453 | L | B | -0.5353 | |
| 454 | K | B | -0.9663 | |
| 455 | P | B | -0.5148 | |
| 456 | P | B | -0.4886 | |
| 457 | M | B | -0.4299 | |
| 458 | E | B | -2.2955 | |
| 459 | T | B | -2.1769 | |
| 460 | E | B | -3.4171 | |
| 461 | E | B | -3.1623 | |
| 462 | P | B | -1.4157 | |
| 463 | Q | B | -0.3086 | |
| 464 | I | B | 2.3587 | |
| 465 | F | B | 2.9572 | |
| 466 | Y | B | 2.2656 | |
| 467 | G | B | 0.6272 | |
| 468 | G | B | -0.3846 | |
| 469 | G | B | -0.9956 | |
| 470 | G | B | -1.1843 | |
| 471 | S | B | -1.0596 | |
| 472 | G | B | -1.1975 | |
| 473 | G | B | -1.2122 | |
| 474 | G | B | -1.2125 | |
| 475 | G | B | -1.2119 | |
| 476 | S | B | -1.0815 | |
| 477 | G | B | -1.2297 | |
| 478 | G | B | -1.2359 | |
| 479 | G | B | -1.4548 | |
| 480 | G | B | -1.5849 | |
| 481 | S | B | -1.6265 | |
| 482 | D | B | -2.5494 | |
| 483 | A | B | -1.8915 | |
| 484 | H | B | -2.7144 | |
| 485 | K | B | -3.4468 | |
| 486 | S | B | 0.0000 | |
| 487 | E | B | -2.1718 | |
| 488 | V | B | 0.0000 | |
| 489 | A | B | 0.0000 | |
| 490 | H | B | -1.9794 | |
| 491 | R | B | -1.8952 | |
| 492 | F | B | 0.0000 | |
| 493 | K | B | -3.0120 | |
| 494 | D | B | -2.9602 | |
| 495 | L | B | -2.1875 | |
| 496 | G | B | -2.4806 | |
| 497 | E | B | -3.0568 | |
| 498 | E | B | -2.7536 | |
| 499 | N | B | -2.0694 | |
| 500 | F | B | 0.0000 | |
| 501 | K | B | -1.5094 | |
| 502 | A | B | -0.9851 | |
| 503 | L | B | 0.0000 | |
| 504 | V | B | 0.0000 | |
| 505 | L | B | 0.0000 | |
| 506 | I | B | 0.0000 | |
| 507 | A | B | 0.0000 | |
| 508 | F | B | 0.0000 | |
| 509 | A | B | 0.0000 | |
| 510 | Q | B | 0.0000 | |
| 511 | Y | B | 0.0000 | |
| 512 | L | B | 0.0000 | |
| 513 | Q | B | 0.0000 | |
| 514 | Q | B | -0.4262 | |
| 515 | C | B | 0.0000 | |
| 516 | P | B | -0.8870 | |
| 517 | F | B | -1.2778 | |
| 518 | E | B | -2.4249 | |
| 519 | D | B | -1.9856 | |
| 520 | H | B | 0.0000 | |
| 521 | V | B | -1.7613 | |
| 522 | K | B | -2.5809 | |
| 523 | L | B | 0.0000 | |
| 524 | V | B | 0.0000 | |
| 525 | N | B | -2.5815 | |
| 526 | E | B | -3.0437 | |
| 527 | V | B | 0.0000 | |
| 528 | T | B | 0.0000 | |
| 529 | E | B | -2.8513 | |
| 530 | F | B | -1.7260 | |
| 531 | A | B | 0.0000 | |
| 532 | K | B | -2.2129 | |
| 533 | T | B | -1.6068 | |
| 534 | C | B | 0.0000 | |
| 535 | V | B | -1.3181 | |
| 536 | A | B | -1.0389 | |
| 537 | D | B | -2.4585 | |
| 538 | E | B | -2.9800 | |
| 539 | S | B | -2.2479 | |
| 540 | A | B | -2.0632 | |
| 541 | E | B | -2.7826 | |
| 542 | N | B | -2.2257 | |
| 543 | C | B | 0.0000 | |
| 544 | D | B | -3.4897 | |
| 545 | K | B | -2.2710 | |
| 546 | S | B | -1.1770 | |
| 547 | L | B | 0.0000 | |
| 548 | H | B | -0.8532 | |
| 549 | T | B | -1.0184 | |
| 550 | L | B | -0.8681 | |
| 551 | F | B | 0.0000 | |
| 552 | G | B | 0.0000 | |
| 553 | D | B | -1.4005 | |
| 554 | K | B | -1.2026 | |
| 555 | L | B | 0.0000 | |
| 556 | C | B | -0.3439 | |
| 557 | T | B | -0.2917 | |
| 558 | V | B | -0.1519 | |
| 559 | A | B | -0.0219 | |
| 560 | T | B | -0.1080 | |
| 561 | L | B | 0.0000 | |
| 562 | R | B | -0.8965 | |
| 563 | E | B | -0.6459 | |
| 564 | T | B | -0.6220 | |
| 565 | Y | B | 0.0000 | |
| 566 | G | B | -1.3397 | |
| 567 | E | B | -2.1349 | |
| 568 | M | B | 0.0000 | |
| 569 | A | B | 0.0000 | |
| 570 | D | B | -1.4386 | |
| 571 | C | B | 0.0000 | |
| 572 | C | B | -1.1232 | |
| 573 | A | B | -1.4144 | |
| 574 | K | B | -2.3357 | |
| 575 | Q | B | -2.5581 | |
| 576 | E | B | -2.0561 | |
| 577 | P | B | -1.9482 | |
| 578 | E | B | -2.8523 | |
| 579 | R | B | 0.0000 | |
| 580 | N | B | 0.0000 | |
| 581 | E | B | -1.6925 | |
| 582 | C | B | -1.8098 | |
| 583 | F | B | 0.0000 | |
| 584 | L | B | 0.0000 | |
| 585 | Q | B | -1.3915 | |
| 586 | H | B | -1.2195 | |
| 587 | K | B | 0.0000 | |
| 588 | D | B | -1.4753 | |
| 589 | D | B | -1.5541 | |
| 590 | N | B | -2.0456 | |
| 591 | P | B | 0.0000 | |
| 592 | N | B | -1.9555 | |
| 593 | L | B | -1.0698 | |
| 594 | P | B | 0.0000 | |
| 595 | R | B | -1.2500 | |
| 596 | L | B | 0.8260 | |
| 597 | V | B | 0.5495 | |
| 598 | R | B | -0.8439 | |
| 599 | P | B | -1.0129 | |
| 600 | E | B | -2.0516 | |
| 601 | V | B | 0.0000 | |
| 602 | D | B | -1.6470 | |
| 603 | V | B | -0.0265 | |
| 604 | M | B | 0.0000 | |
| 605 | C | B | 0.0000 | |
| 606 | T | B | -0.9681 | |
| 607 | A | B | -1.0429 | |
| 608 | F | B | 0.0000 | |
| 609 | H | B | -2.5333 | |
| 610 | D | B | -3.0588 | |
| 611 | N | B | -2.8769 | |
| 612 | E | B | -2.9260 | |
| 613 | E | B | -2.9075 | |
| 614 | T | B | -1.6535 | |
| 615 | F | B | -1.4736 | |
| 616 | L | B | -1.1167 | |
| 617 | K | B | -0.8898 | |
| 618 | K | B | -0.9530 | |
| 619 | Y | B | -0.0552 | |
| 620 | L | B | 0.0000 | |
| 621 | Y | B | 0.0000 | |
| 622 | E | B | 0.0000 | |
| 623 | I | B | -0.1049 | |
| 624 | A | B | 0.0000 | |
| 625 | R | B | -0.4315 | |
| 626 | R | B | -0.8011 | |
| 627 | H | B | -0.7211 | |
| 628 | P | B | 0.0000 | |
| 629 | Y | B | -0.2601 | |
| 630 | F | B | 0.0000 | |
| 631 | Y | B | 0.0000 | |
| 632 | A | B | 0.0000 | |
| 633 | P | B | 0.0000 | |
| 634 | E | B | 0.0000 | |
| 635 | L | B | 0.0000 | |
| 636 | L | B | 0.0000 | |
| 637 | F | B | 0.0000 | |
| 638 | F | B | 0.0000 | |
| 639 | A | B | -0.5043 | |
| 640 | K | B | -1.1059 | |
| 641 | R | B | -0.9699 | |
| 642 | Y | B | -0.7496 | |
| 643 | K | B | -1.4195 | |
| 644 | A | B | -1.1268 | |
| 645 | A | B | 0.0000 | |
| 646 | F | B | 0.0000 | |
| 647 | T | B | -1.5590 | |
| 648 | E | B | -2.3192 | |
| 649 | C | B | 0.0000 | |
| 650 | C | B | 0.0000 | |
| 651 | Q | B | -2.0887 | |
| 652 | A | B | -1.7206 | |
| 653 | A | B | -1.2298 | |
| 654 | D | B | -2.1886 | |
| 655 | K | B | -2.1669 | |
| 656 | A | B | -1.2854 | |
| 657 | A | B | -0.6671 | |
| 658 | C | B | -1.0229 | |
| 659 | L | B | 0.0000 | |
| 660 | L | B | -0.7595 | |
| 661 | P | B | -1.4886 | |
| 662 | K | B | -2.0015 | |
| 663 | L | B | -2.3465 | |
| 664 | D | B | -3.5730 | |
| 665 | E | B | -4.2095 | |
| 666 | L | B | 0.0000 | |
| 667 | R | B | -4.2188 | |
| 668 | D | B | -4.4088 | |
| 669 | E | B | -3.3107 | |
| 670 | G | B | -2.8008 | |
| 671 | K | B | -3.1203 | |
| 672 | A | B | -1.9501 | |
| 673 | S | B | -1.5156 | |
| 674 | S | B | -1.0734 | |
| 675 | A | B | -1.1200 | |
| 676 | K | B | -1.4176 | |
| 677 | Q | B | 0.0000 | |
| 678 | R | B | -0.7197 | |
| 679 | L | B | 0.0000 | |
| 680 | K | B | -0.8443 | |
| 681 | C | B | 0.0000 | |
| 682 | A | B | 0.0000 | |
| 683 | S | B | 0.0000 | |
| 684 | L | B | 0.0000 | |
| 685 | Q | B | -0.8966 | |
| 686 | K | B | -0.6380 | |
| 687 | F | B | -0.9400 | |
| 688 | G | B | -1.7532 | |
| 689 | E | B | -2.9160 | |
| 690 | R | B | -2.6366 | |
| 691 | A | B | -1.4517 | |
| 692 | F | B | 0.0000 | |
| 693 | K | B | -1.9090 | |
| 694 | A | B | -1.2729 | |
| 695 | W | B | -0.6991 | |
| 696 | A | B | 0.0000 | |
| 697 | V | B | 0.0000 | |
| 698 | A | B | 0.0000 | |
| 699 | R | B | -0.7537 | |
| 700 | L | B | 0.0000 | |
| 701 | S | B | 0.0000 | |
| 702 | Q | B | 0.0000 | |
| 703 | R | B | -1.6621 | |
| 704 | F | B | 0.0000 | |
| 705 | P | B | 0.0000 | |
| 706 | K | B | -2.0031 | |
| 707 | A | B | 0.0000 | |
| 708 | E | B | -2.0937 | |
| 709 | F | B | -0.7431 | |
| 710 | A | B | -0.7241 | |
| 711 | E | B | -1.1202 | |
| 712 | V | B | 0.0000 | |
| 713 | S | B | -0.6308 | |
| 714 | K | B | -0.9251 | |
| 715 | L | B | 0.0000 | |
| 716 | V | B | 0.0000 | |
| 717 | T | B | -1.1664 | |
| 718 | D | B | -1.2110 | |
| 719 | L | B | -0.5977 | |
| 720 | T | B | 0.0000 | |
| 721 | K | B | -1.6520 | |
| 722 | V | B | 0.0000 | |
| 723 | H | B | 0.0000 | |
| 724 | T | B | -1.1123 | |
| 725 | E | B | -0.8861 | |
| 726 | C | B | 0.0000 | |
| 727 | C | B | 0.0000 | |
| 728 | H | B | -0.6063 | |
| 729 | G | B | 0.0000 | |
| 730 | D | B | -0.5308 | |
| 731 | L | B | 0.0000 | |
| 732 | L | B | 0.0000 | |
| 733 | E | B | -0.9959 | |
| 734 | C | B | 0.0000 | |
| 735 | A | B | 0.0000 | |
| 736 | D | B | -1.3561 | |
| 737 | D | B | -1.6203 | |
| 738 | R | B | 0.0000 | |
| 739 | A | B | -1.4785 | |
| 740 | D | B | -2.4761 | |
| 741 | L | B | 0.0000 | |
| 742 | A | B | 0.0000 | |
| 743 | K | B | -2.6865 | |
| 744 | Y | B | -1.7719 | |
| 745 | I | B | 0.0000 | |
| 746 | C | B | -2.5669 | |
| 747 | E | B | -2.6393 | |
| 748 | N | B | -2.0529 | |
| 749 | Q | B | -2.3157 | |
| 750 | D | B | -2.7615 | |
| 751 | S | B | -2.0050 | |
| 752 | I | B | 0.0000 | |
| 753 | S | B | 0.0000 | |
| 754 | S | B | -2.0247 | |
| 755 | K | B | -2.6965 | |
| 756 | L | B | 0.0000 | |
| 757 | K | B | -3.0478 | |
| 758 | E | B | -3.2830 | |
| 759 | C | B | 0.0000 | |
| 760 | C | B | -2.6974 | |
| 761 | E | B | -3.0846 | |
| 762 | K | B | -2.3838 | |
| 763 | P | B | -0.8926 | |
| 764 | L | B | -0.3852 | |
| 765 | L | B | -0.1195 | |
| 766 | E | B | -1.0943 | |
| 767 | K | B | -1.3818 | |
| 768 | S | B | 0.0000 | |
| 769 | H | B | -0.7864 | |
| 770 | C | B | -1.2914 | |
| 771 | I | B | 0.0000 | |
| 772 | A | B | -1.2074 | |
| 773 | E | B | -2.3233 | |
| 774 | V | B | 0.0000 | |
| 775 | E | B | -2.9470 | |
| 776 | N | B | -2.3228 | |
| 777 | D | B | 0.0000 | |
| 778 | E | B | -2.3361 | |
| 779 | M | B | -1.1317 | |
| 780 | P | B | -0.9696 | |
| 781 | A | B | -1.0430 | |
| 782 | D | B | -1.6807 | |
| 783 | L | B | -0.7573 | |
| 784 | P | B | -0.9436 | |
| 785 | S | B | -1.0154 | |
| 786 | L | B | 0.0000 | |
| 787 | A | B | -1.0611 | |
| 788 | A | B | -1.8103 | |
| 789 | D | B | -2.8257 | |
| 790 | F | B | 0.0000 | |
| 791 | V | B | 0.0000 | |
| 792 | E | B | -3.1816 | |
| 793 | S | B | -3.0235 | |
| 794 | K | B | -3.6682 | |
| 795 | D | B | -3.9372 | |
| 796 | V | B | 0.0000 | |
| 797 | C | B | -2.4533 | |
| 798 | K | B | -3.5649 | |
| 799 | N | B | -3.0639 | |
| 800 | Y | B | 0.0000 | |
| 801 | A | B | -2.5338 | |
| 802 | E | B | -2.7720 | |
| 803 | A | B | -1.7213 | |
| 804 | K | B | -2.2216 | |
| 805 | D | B | -1.7384 | |
| 806 | V | B | 0.3344 | |
| 807 | F | B | 0.0000 | |
| 808 | L | B | 0.0000 | |
| 809 | G | B | -0.0483 | |
| 810 | M | B | 0.3646 | |
| 811 | F | B | 0.0000 | |
| 812 | L | B | 0.0000 | |
| 813 | Y | B | 0.0000 | |
| 814 | E | B | -0.5945 | |
| 815 | Y | B | 0.0000 | |
| 816 | A | B | 0.0000 | |
| 817 | R | B | 0.0000 | |
| 818 | R | B | -0.4157 | |
| 819 | H | B | -0.5103 | |
| 820 | P | B | -1.0776 | |
| 821 | D | B | -1.4855 | |
| 822 | Y | B | -0.6328 | |
| 823 | S | B | 0.0000 | |
| 824 | V | B | 0.0000 | |
| 825 | V | B | 0.0000 | |
| 826 | L | B | 0.0000 | |
| 827 | L | B | 0.0000 | |
| 828 | L | B | 0.0000 | |
| 829 | R | B | 0.0000 | |
| 830 | L | B | 0.0000 | |
| 831 | A | B | -0.7164 | |
| 832 | K | B | -1.4142 | |
| 833 | T | B | -1.0712 | |
| 834 | Y | B | 0.0000 | |
| 835 | E | B | -1.7555 | |
| 836 | T | B | -1.5669 | |
| 837 | T | B | 0.0000 | |
| 838 | L | B | 0.0000 | |
| 839 | E | B | -2.6881 | |
| 840 | K | B | -2.5110 | |
| 841 | C | B | 0.0000 | |
| 842 | C | B | -1.3155 | |
| 843 | A | B | -0.9937 | |
| 844 | A | B | -1.2891 | |
| 845 | A | B | -1.0050 | |
| 846 | D | B | -2.3403 | |
| 847 | P | B | -2.0900 | |
| 848 | H | B | -2.7493 | |
| 849 | E | B | -2.8973 | |
| 850 | C | B | -1.8347 | |
| 851 | Y | B | 0.0000 | |
| 852 | A | B | -1.9453 | |
| 853 | K | B | -2.6684 | |
| 854 | V | B | 0.0000 | |
| 855 | F | B | -1.6423 | |
| 856 | D | B | -3.2600 | |
| 857 | E | B | -2.9131 | |
| 858 | F | B | 0.0000 | |
| 859 | K | B | -3.0160 | |
| 860 | P | B | -2.2794 | |
| 861 | L | B | -1.4604 | |
| 862 | V | B | -1.6579 | |
| 863 | E | B | -2.6283 | |
| 864 | E | B | -2.0799 | |
| 865 | P | B | 0.0000 | |
| 866 | Q | B | -2.5632 | |
| 867 | N | B | -2.4392 | |
| 868 | L | B | -1.6227 | |
| 869 | I | B | 0.0000 | |
| 870 | K | B | -3.1131 | |
| 871 | Q | B | -2.6402 | |
| 872 | N | B | -1.9374 | |
| 873 | C | B | 0.0000 | |
| 874 | E | B | -3.2758 | |
| 875 | L | B | -2.1867 | |
| 876 | F | B | -2.3011 | |
| 877 | E | B | -3.1057 | |
| 878 | Q | B | -2.5609 | |
| 879 | L | B | -1.6630 | |
| 880 | G | B | -1.6027 | |
| 881 | E | B | -1.8095 | |
| 882 | Y | B | -1.3033 | |
| 883 | K | B | -1.8556 | |
| 884 | F | B | 0.0000 | |
| 885 | Q | B | 0.0000 | |
| 886 | N | B | -1.1301 | |
| 887 | A | B | -0.8055 | |
| 888 | L | B | -0.5635 | |
| 889 | L | B | 0.0000 | |
| 890 | V | B | 0.0000 | |
| 891 | R | B | -1.1140 | |
| 892 | Y | B | 0.0000 | |
| 893 | T | B | 0.0000 | |
| 894 | K | B | -1.1988 | |
| 895 | K | B | -1.0871 | |
| 896 | V | B | 0.0000 | |
| 897 | P | B | 0.0000 | |
| 898 | Q | B | -0.5872 | |
| 899 | V | B | 0.0000 | |
| 900 | S | B | -0.1463 | |
| 901 | T | B | 0.0000 | |
| 902 | P | B | -0.6140 | |
| 903 | T | B | -0.7430 | |
| 904 | L | B | 0.0000 | |
| 905 | V | B | 0.0000 | |
| 906 | E | B | -1.8518 | |
| 907 | V | B | 0.0000 | |
| 908 | S | B | 0.0000 | |
| 909 | R | B | -1.0935 | |
| 910 | N | B | -0.9927 | |
| 911 | L | B | 0.0000 | |
| 912 | G | B | 0.0000 | |
| 913 | K | B | -1.2754 | |
| 914 | V | B | 0.0000 | |
| 915 | G | B | 0.0000 | |
| 916 | S | B | -1.6019 | |
| 917 | K | B | -1.5495 | |
| 918 | C | B | 0.0000 | |
| 919 | C | B | 0.0000 | |
| 920 | K | B | -2.7112 | |
| 921 | H | B | -2.1903 | |
| 922 | P | B | -2.1675 | |
| 923 | E | B | -3.1339 | |
| 924 | A | B | -2.0233 | |
| 925 | K | B | -2.6249 | |
| 926 | R | B | -2.4698 | |
| 927 | M | B | 0.0000 | |
| 928 | P | B | -0.7092 | |
| 929 | C | B | -0.6110 | |
| 930 | A | B | 0.0000 | |
| 931 | E | B | 0.0000 | |
| 932 | D | B | -0.2122 | |
| 933 | Y | B | -0.2285 | |
| 934 | L | B | 0.0264 | |
| 935 | S | B | 0.0000 | |
| 936 | V | B | 0.0000 | |
| 937 | V | B | 0.0000 | |
| 938 | L | B | 0.0000 | |
| 939 | N | B | 0.0000 | |
| 940 | Q | B | -0.5514 | |
| 941 | L | B | 0.0000 | |
| 942 | C | B | 0.0000 | |
| 943 | V | B | 0.0000 | |
| 944 | L | B | -0.7887 | |
| 945 | H | B | 0.0000 | |
| 946 | E | B | -1.1888 | |
| 947 | K | B | -1.7880 | |
| 948 | T | B | -0.5006 | |
| 949 | P | B | -0.5842 | |
| 950 | V | B | -0.1086 | |
| 951 | S | B | 0.0000 | |
| 952 | D | B | -2.0852 | |
| 953 | R | B | -1.3916 | |
| 954 | V | B | 0.0000 | |
| 955 | T | B | -1.4807 | |
| 956 | K | B | -1.9316 | |
| 957 | C | B | 0.0000 | |
| 958 | C | B | 0.0000 | |
| 959 | T | B | -1.4155 | |
| 960 | E | B | -2.1955 | |
| 961 | S | B | -1.1516 | |
| 962 | L | B | 0.0000 | |
| 963 | V | B | -0.5274 | |
| 964 | N | B | -0.9582 | |
| 965 | R | B | 0.0000 | |
| 966 | R | B | 0.0000 | |
| 967 | P | B | -0.2388 | |
| 968 | C | B | -0.4345 | |
| 969 | F | B | 0.0000 | |
| 970 | S | B | -0.4140 | |
| 971 | A | B | -0.2700 | |
| 972 | L | B | -0.7318 | |
| 973 | E | B | -1.8333 | |
| 974 | V | B | -1.0613 | |
| 975 | D | B | 0.0000 | |
| 976 | E | B | -1.8218 | |
| 977 | T | B | -0.3415 | |
| 978 | Y | B | 0.1539 | |
| 979 | V | B | 0.8383 | |
| 980 | P | B | -0.5567 | |
| 981 | K | B | -1.8578 | |
| 982 | E | B | -2.2386 | |
| 983 | F | B | -1.1818 | |
| 984 | N | B | -1.6228 | |
| 985 | A | B | -1.3262 | |
| 986 | E | B | -1.8685 | |
| 987 | T | B | -0.9617 | |
| 988 | F | B | -0.6057 | |
| 989 | T | B | -1.0062 | |
| 990 | F | B | -1.2099 | |
| 991 | H | B | -1.7644 | |
| 992 | A | B | -1.8989 | |
| 993 | D | B | -2.1782 | |
| 994 | I | B | 0.0000 | |
| 995 | C | B | -1.3840 | |
| 996 | T | B | -0.8127 | |
| 997 | L | B | -1.4422 | |
| 998 | S | B | -1.7921 | |
| 999 | E | B | -3.1355 | |
| 1000 | K | B | -3.1734 | |
| 1001 | E | B | -2.5371 | |
| 1002 | R | B | -2.3419 | |
| 1003 | Q | B | -1.9598 | |
| 1004 | I | B | -1.5436 | |
| 1005 | K | B | -1.6302 | |
| 1006 | K | B | -1.0295 | |
| 1007 | Q | B | 0.0000 | |
| 1008 | T | B | -0.6823 | |
| 1009 | A | B | 0.0000 | |
| 1010 | L | B | 0.0000 | |
| 1011 | V | B | 0.0000 | |
| 1012 | E | B | -0.7767 | |
| 1013 | L | B | 0.0000 | |
| 1014 | V | B | 0.0000 | |
| 1015 | K | B | 0.0000 | |
| 1016 | H | B | 0.0000 | |
| 1017 | K | B | -0.9992 | |
| 1018 | P | B | 0.0000 | |
| 1019 | K | B | -2.1912 | |
| 1020 | A | B | 0.0000 | |
| 1021 | T | B | -2.2583 | |
| 1022 | K | B | -3.2197 | |
| 1023 | E | B | -3.3902 | |
| 1024 | Q | B | -2.7270 | |
| 1025 | L | B | 0.0000 | |
| 1026 | K | B | -3.6236 | |
| 1027 | A | B | -2.6945 | |
| 1028 | V | B | 0.0000 | |
| 1029 | M | B | -2.1971 | |
| 1030 | D | B | -3.0728 | |
| 1031 | D | B | -2.9598 | |
| 1032 | F | B | 0.0000 | |
| 1033 | A | B | -1.8192 | |
| 1034 | A | B | -1.9844 | |
| 1035 | F | B | 0.0000 | |
| 1036 | V | B | 0.0000 | |
| 1037 | E | B | -2.9546 | |
| 1038 | K | B | -2.7908 | |
| 1039 | C | B | 0.0000 | |
| 1040 | C | B | -2.7410 | |
| 1041 | K | B | -3.2167 | |
| 1042 | A | B | -3.0228 | |
| 1043 | D | B | -3.1971 | |
| 1044 | D | B | -3.2067 | |
| 1045 | K | B | -3.2248 | |
| 1046 | E | B | -2.9100 | |
| 1047 | T | B | -2.1579 | |
| 1048 | C | B | -2.6216 | |
| 1049 | F | B | 0.0000 | |
| 1050 | A | B | -2.2266 | |
| 1051 | E | B | -3.1919 | |
| 1052 | E | B | -2.8398 | |
| 1053 | G | B | -2.1673 | |
| 1054 | K | B | -3.0781 | |
| 1055 | K | B | -2.9870 | |
| 1056 | L | B | -1.7550 | |
| 1057 | V | B | -0.7733 | |
| 1058 | A | B | -0.7053 | |
| 1059 | A | B | -0.5718 | |
| 1060 | S | B | -0.4741 | |
| 1061 | Q | B | 0.2016 | |
| 1062 | A | B | 0.3578 | |
| 1063 | A | B | 0.0898 | |
| 1064 | L | B | 0.0000 | |
| 1065 | G | B | 0.2151 | |
| 1066 | L | B | 1.2810 |
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 | -0.5257 | 7.3563 | View | CSV | PDB |
| 4.5 | -0.6151 | 7.3563 | View | CSV | PDB |
| 5.0 | -0.7245 | 7.3563 | View | CSV | PDB |
| 5.5 | -0.8336 | 7.3563 | View | CSV | PDB |
| 6.0 | -0.9206 | 7.3563 | View | CSV | PDB |
| 6.5 | -0.9694 | 7.3563 | View | CSV | PDB |
| 7.0 | -0.9792 | 7.3563 | View | CSV | PDB |
| 7.5 | -0.9622 | 7.3563 | View | CSV | PDB |
| 8.0 | -0.9303 | 7.3563 | View | CSV | PDB |
| 8.5 | -0.8878 | 7.3563 | View | CSV | PDB |
| 9.0 | -0.8339 | 7.3563 | 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