| Chain sequence(s) |
A: TIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGEPIDMIGINYYSMSVNRFNPEAGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYITENGACINDEVVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDFRTQVRTPKESYYWYRNVVSNNWLETRR
C: TIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGEPIDMIGINYYSMSVNRFNPEAGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYITENGACINDEVVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDFRTQVRTPKESYYWYRNVVSNNWLETRR B: TIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGEPIDMIGINYYSMSVNRFNPEAGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYITENGACINDEVVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDFRTQVRTPKESYYWYRNVVSNNWLETRR D: TIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGEPIDMIGINYYSMSVNRFNPEAGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYITENGACINDEVVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDFRTQVRTPKESYYWYRNVVSNNWLETRR 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. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:28:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9a47fc627033878/tmp/folded.pdb (00:28:41)
[INFO] Main: Simulation completed successfully. (00:54:04)
|
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 |
|---|---|---|---|---|
| 2 | T | A | -0.4729 | |
| 3 | I | A | 0.1018 | |
| 4 | F | A | -0.4016 | |
| 5 | Q | A | -1.3342 | |
| 6 | F | A | 0.0000 | |
| 7 | P | A | -1.7108 | |
| 8 | Q | A | -2.3010 | |
| 9 | D | A | -2.6515 | |
| 10 | F | A | 0.0000 | |
| 11 | M | A | -1.1777 | |
| 12 | W | A | 0.0000 | |
| 13 | G | A | 0.0000 | |
| 14 | T | A | 0.0000 | |
| 15 | A | A | 0.0000 | |
| 16 | T | A | 0.0000 | |
| 17 | A | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | Y | A | 0.0000 | |
| 20 | Q | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | E | A | 0.0000 | |
| 23 | G | A | 0.0000 | |
| 24 | A | A | -0.6840 | |
| 25 | Y | A | -0.6087 | |
| 26 | Q | A | -1.8187 | |
| 27 | E | A | -2.5978 | |
| 28 | D | A | -2.5697 | |
| 29 | G | A | -1.9936 | |
| 30 | R | A | 0.0000 | |
| 31 | G | A | -0.7744 | |
| 32 | L | A | 0.1106 | |
| 33 | S | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | D | A | 0.0000 | |
| 37 | T | A | -0.1807 | |
| 38 | F | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | H | A | -0.7145 | |
| 41 | T | A | -0.6104 | |
| 42 | P | A | -0.6949 | |
| 43 | G | A | -0.7741 | |
| 44 | K | A | -0.8824 | |
| 45 | V | A | 0.0000 | |
| 46 | F | A | -0.1348 | |
| 47 | N | A | -0.8573 | |
| 48 | G | A | 0.0000 | |
| 49 | D | A | 0.0000 | |
| 50 | N | A | -0.1824 | |
| 51 | G | A | 0.0000 | |
| 52 | N | A | 0.2900 | |
| 53 | V | A | 1.4612 | |
| 54 | A | A | 0.0000 | |
| 55 | C | A | 0.0000 | |
| 56 | D | A | -0.0414 | |
| 57 | S | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | H | A | -1.3763 | |
| 60 | R | A | -1.3342 | |
| 61 | Y | A | 0.0000 | |
| 62 | E | A | -1.8296 | |
| 63 | E | A | -1.8386 | |
| 64 | D | A | 0.0000 | |
| 65 | I | A | 0.0000 | |
| 66 | R | A | -3.0427 | |
| 67 | L | A | -2.0196 | |
| 68 | M | A | 0.0000 | |
| 69 | K | A | -3.2334 | |
| 70 | E | A | -3.0142 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.7947 | |
| 73 | I | A | 0.0000 | |
| 74 | R | A | -1.8736 | |
| 75 | T | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | F | A | 0.0000 | |
| 79 | S | A | 0.0000 | |
| 80 | V | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | W | A | 0.0000 | |
| 83 | P | A | 0.0000 | |
| 84 | R | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -0.9873 | |
| 88 | N | A | -1.7185 | |
| 89 | G | A | 0.0000 | |
| 90 | D | A | -1.9959 | |
| 91 | G | A | -1.7488 | |
| 92 | E | A | -1.8477 | |
| 93 | V | A | -0.5347 | |
| 94 | N | A | -1.5081 | |
| 95 | Q | A | -2.1807 | |
| 96 | E | A | -2.9748 | |
| 97 | G | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | D | A | -2.4842 | |
| 100 | Y | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | H | A | -2.0973 | |
| 103 | R | A | -2.5883 | |
| 104 | V | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | D | A | -2.7773 | |
| 107 | L | A | -2.2609 | |
| 108 | L | A | 0.0000 | |
| 109 | N | A | -2.6062 | |
| 110 | D | A | -2.8128 | |
| 111 | N | A | -2.7770 | |
| 112 | G | A | -2.2067 | |
| 113 | I | A | 0.0000 | |
| 114 | E | A | -1.9505 | |
| 115 | P | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | C | A | 0.0000 | |
| 118 | T | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | Y | A | 0.0000 | |
| 121 | H | A | 0.0000 | |
| 122 | W | A | 0.0000 | |
| 123 | D | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | P | A | 0.0000 | |
| 126 | Q | A | -0.8530 | |
| 127 | A | A | -1.2183 | |
| 128 | L | A | 0.0000 | |
| 129 | Q | A | -1.3348 | |
| 130 | D | A | -1.9990 | |
| 131 | A | A | -1.3850 | |
| 132 | G | A | -1.4177 | |
| 133 | G | A | 0.0000 | |
| 134 | W | A | 0.0000 | |
| 135 | G | A | -0.9953 | |
| 136 | N | A | -1.6294 | |
| 137 | R | A | -1.8668 | |
| 138 | R | A | -2.4899 | |
| 139 | T | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | Q | A | -2.0533 | |
| 142 | A | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | V | A | -0.6056 | |
| 145 | Q | A | -1.0760 | |
| 146 | F | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | E | A | 0.0000 | |
| 149 | T | A | 0.0000 | |
| 150 | M | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | R | A | -2.4142 | |
| 153 | E | A | -2.0168 | |
| 154 | F | A | 0.0000 | |
| 155 | H | A | -1.8328 | |
| 156 | G | A | -1.4338 | |
| 157 | K | A | -1.6409 | |
| 158 | I | A | 0.0000 | |
| 159 | Q | A | -1.1590 | |
| 160 | H | A | 0.0000 | |
| 161 | W | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | N | A | 0.0000 | |
| 166 | E | A | 0.0000 | |
| 167 | P | A | 0.0000 | |
| 168 | W | A | 0.1301 | |
| 169 | C | A | 0.3973 | |
| 170 | I | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | L | A | 0.8890 | |
| 174 | S | A | 0.0000 | |
| 175 | N | A | 0.0000 | |
| 176 | M | A | 0.3970 | |
| 177 | L | A | 0.9983 | |
| 178 | G | A | 0.7387 | |
| 179 | V | A | 1.2160 | |
| 180 | H | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | P | A | 0.1428 | |
| 183 | G | A | 0.3471 | |
| 184 | L | A | 0.5912 | |
| 185 | T | A | 0.0536 | |
| 186 | N | A | -0.9758 | |
| 187 | L | A | -0.5845 | |
| 188 | Q | A | -0.9155 | |
| 189 | T | A | -0.6378 | |
| 190 | A | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | D | A | -0.5146 | |
| 193 | V | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | H | A | 0.0000 | |
| 196 | H | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | H | A | 0.0000 | |
| 202 | G | A | 0.0000 | |
| 203 | L | A | -0.0309 | |
| 204 | S | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | R | A | -1.1726 | |
| 207 | R | A | -1.4892 | |
| 208 | F | A | 0.0000 | |
| 209 | R | A | -1.9267 | |
| 210 | E | A | -2.4068 | |
| 211 | L | A | -1.5540 | |
| 212 | G | A | -1.5712 | |
| 213 | T | A | 0.0000 | |
| 214 | S | A | -1.1337 | |
| 215 | G | A | -1.0544 | |
| 216 | Q | A | -0.7620 | |
| 217 | I | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | P | A | 0.0000 | |
| 222 | N | A | -0.1428 | |
| 223 | V | A | 0.0000 | |
| 224 | S | A | -0.0154 | |
| 225 | W | A | 0.0270 | |
| 226 | A | A | 0.0000 | |
| 227 | V | A | 0.2627 | |
| 228 | P | A | -0.5543 | |
| 229 | Y | A | 0.7186 | |
| 230 | S | A | -0.3560 | |
| 231 | T | A | -0.9331 | |
| 232 | S | A | -1.8552 | |
| 233 | E | A | -3.1512 | |
| 234 | E | A | -3.0160 | |
| 235 | D | A | 0.0000 | |
| 236 | K | A | -2.7261 | |
| 237 | A | A | -1.7816 | |
| 238 | A | A | 0.0000 | |
| 239 | C | A | 0.0000 | |
| 240 | A | A | -0.3254 | |
| 241 | R | A | 0.0000 | |
| 242 | T | A | -0.2025 | |
| 243 | I | A | 0.0000 | |
| 244 | S | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | H | A | -0.1028 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | 0.0000 | |
| 249 | W | A | 0.0000 | |
| 250 | F | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | Q | A | -0.8637 | |
| 253 | P | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | Y | A | -0.7777 | |
| 256 | Q | A | -1.5029 | |
| 257 | G | A | -1.2864 | |
| 258 | S | A | -0.9600 | |
| 259 | Y | A | 0.0000 | |
| 260 | P | A | 0.0000 | |
| 261 | Q | A | -0.8693 | |
| 262 | F | A | 0.2169 | |
| 263 | L | A | 0.0000 | |
| 264 | V | A | -0.5889 | |
| 265 | D | A | -1.6873 | |
| 266 | W | A | -1.0580 | |
| 267 | F | A | 0.0000 | |
| 268 | A | A | -1.5066 | |
| 269 | E | A | -2.5478 | |
| 270 | Q | A | -1.9010 | |
| 271 | G | A | -1.5548 | |
| 272 | A | A | 0.0000 | |
| 273 | T | A | -0.3912 | |
| 274 | V | A | 0.3418 | |
| 275 | P | A | 0.0596 | |
| 276 | I | A | 0.3348 | |
| 277 | Q | A | -1.4380 | |
| 278 | D | A | -2.3703 | |
| 279 | G | A | -1.7119 | |
| 280 | D | A | 0.0000 | |
| 281 | M | A | -1.2650 | |
| 282 | D | A | -2.1938 | |
| 283 | I | A | -0.8661 | |
| 284 | I | A | 0.0000 | |
| 285 | G | A | -1.1209 | |
| 286 | E | A | -0.6769 | |
| 287 | P | A | -0.4922 | |
| 288 | I | A | -0.3480 | |
| 289 | D | A | -0.7684 | |
| 290 | M | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | G | A | 0.0000 | |
| 293 | I | A | 0.0000 | |
| 294 | N | A | 0.0000 | |
| 295 | Y | A | 0.0000 | |
| 296 | Y | A | 0.1902 | |
| 297 | S | A | 0.0686 | |
| 298 | M | A | 0.0000 | |
| 299 | S | A | -0.2550 | |
| 300 | V | A | -0.0111 | |
| 301 | N | A | 0.0000 | |
| 302 | R | A | -1.6112 | |
| 303 | F | A | -1.7539 | |
| 304 | N | A | -1.6557 | |
| 305 | P | A | -1.4477 | |
| 306 | E | A | -2.1797 | |
| 307 | A | A | -1.7783 | |
| 308 | G | A | -1.0031 | |
| 309 | F | A | -0.2771 | |
| 310 | L | A | -0.3133 | |
| 311 | Q | A | -1.3100 | |
| 312 | S | A | -1.6912 | |
| 313 | E | A | -2.0819 | |
| 314 | E | A | -2.0921 | |
| 315 | I | A | -1.0342 | |
| 316 | N | A | -1.1910 | |
| 317 | M | A | 0.2180 | |
| 318 | G | A | -0.0226 | |
| 319 | L | A | 0.6187 | |
| 320 | P | A | 0.3442 | |
| 321 | V | A | 0.5485 | |
| 322 | T | A | 0.0000 | |
| 323 | D | A | -1.8504 | |
| 324 | I | A | -0.6993 | |
| 325 | G | A | -0.2759 | |
| 326 | W | A | 0.4053 | |
| 327 | P | A | 0.3641 | |
| 328 | V | A | 0.2310 | |
| 329 | E | A | -0.4801 | |
| 330 | S | A | 0.0000 | |
| 331 | R | A | -1.6143 | |
| 332 | G | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | Y | A | -0.8973 | |
| 335 | E | A | -0.9314 | |
| 336 | V | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | H | A | -1.0235 | |
| 339 | Y | A | -0.5077 | |
| 340 | L | A | 0.0000 | |
| 341 | Q | A | -1.3558 | |
| 342 | K | A | -1.7553 | |
| 343 | Y | A | -1.0755 | |
| 344 | G | A | -1.1419 | |
| 345 | N | A | -1.4760 | |
| 346 | I | A | -0.9462 | |
| 347 | D | A | -1.0663 | |
| 348 | I | A | 0.0000 | |
| 349 | Y | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | T | A | 0.0000 | |
| 352 | E | A | 0.0000 | |
| 353 | N | A | 0.0000 | |
| 354 | G | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | C | A | 0.0000 | |
| 357 | I | A | 0.0000 | |
| 358 | N | A | -1.6457 | |
| 359 | D | A | -1.7208 | |
| 360 | E | A | -1.1111 | |
| 361 | V | A | 0.0358 | |
| 362 | V | A | 0.5315 | |
| 363 | N | A | -0.7719 | |
| 364 | G | A | -0.7472 | |
| 365 | K | A | -0.9034 | |
| 366 | V | A | 0.0000 | |
| 367 | Q | A | -1.5329 | |
| 368 | D | A | 0.0000 | |
| 369 | D | A | -2.4740 | |
| 370 | R | A | -2.1103 | |
| 371 | R | A | 0.0000 | |
| 372 | I | A | -0.9774 | |
| 373 | S | A | -1.1049 | |
| 374 | Y | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | Q | A | -0.6779 | |
| 377 | Q | A | -1.0588 | |
| 378 | H | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | V | A | -0.5713 | |
| 381 | Q | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | H | A | -1.0932 | |
| 384 | R | A | -1.5289 | |
| 385 | T | A | 0.0000 | |
| 386 | I | A | -1.2968 | |
| 387 | H | A | -2.1022 | |
| 388 | D | A | -2.1209 | |
| 389 | G | A | -1.6182 | |
| 390 | L | A | 0.0000 | |
| 391 | H | A | -1.5267 | |
| 392 | V | A | 0.0000 | |
| 393 | K | A | -1.3523 | |
| 394 | G | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | M | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | W | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | L | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | D | A | 0.0000 | |
| 403 | N | A | 0.0000 | |
| 404 | F | A | 0.0000 | |
| 405 | E | A | -0.4547 | |
| 406 | W | A | 0.0000 | |
| 407 | A | A | -0.3109 | |
| 408 | E | A | -0.7981 | |
| 409 | G | A | 0.0000 | |
| 410 | Y | A | -0.4356 | |
| 411 | N | A | -1.2840 | |
| 412 | M | A | -0.9716 | |
| 413 | R | A | -1.0121 | |
| 414 | F | A | 0.0000 | |
| 415 | G | A | 0.0000 | |
| 416 | M | A | 0.0000 | |
| 417 | I | A | 0.0000 | |
| 418 | H | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | D | A | -0.3188 | |
| 421 | F | A | 0.0635 | |
| 422 | R | A | -0.7746 | |
| 423 | T | A | -0.1886 | |
| 424 | Q | A | 0.1892 | |
| 425 | V | A | 1.0628 | |
| 426 | R | A | 0.0000 | |
| 427 | T | A | 0.0041 | |
| 428 | P | A | -0.2321 | |
| 429 | K | A | 0.0000 | |
| 430 | E | A | -1.0875 | |
| 431 | S | A | 0.0000 | |
| 432 | Y | A | 0.0000 | |
| 433 | Y | A | -0.4325 | |
| 434 | W | A | -0.3668 | |
| 435 | Y | A | 0.0000 | |
| 436 | R | A | -1.2209 | |
| 437 | N | A | -0.8862 | |
| 438 | V | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | S | A | -0.8601 | |
| 441 | N | A | -0.9010 | |
| 442 | N | A | -1.2403 | |
| 443 | W | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | E | A | -0.7705 | |
| 446 | T | A | -1.3446 | |
| 447 | R | A | -2.4945 | |
| 448 | R | A | -2.5927 | |
| 2 | T | B | -0.5613 | |
| 3 | I | B | -0.0322 | |
| 4 | F | B | -0.4473 | |
| 5 | Q | B | -1.3552 | |
| 6 | F | B | 0.0000 | |
| 7 | P | B | -1.7017 | |
| 8 | Q | B | -2.2998 | |
| 9 | D | B | -2.6428 | |
| 10 | F | B | 0.0000 | |
| 11 | M | B | -1.1489 | |
| 12 | W | B | 0.0000 | |
| 13 | G | B | 0.0000 | |
| 14 | T | B | 0.0000 | |
| 15 | A | B | 0.0000 | |
| 16 | T | B | 0.0000 | |
| 17 | A | B | 0.0000 | |
| 18 | A | B | 0.0000 | |
| 19 | Y | B | 0.0000 | |
| 20 | Q | B | 0.0000 | |
| 21 | I | B | 0.0000 | |
| 22 | E | B | 0.0000 | |
| 23 | G | B | 0.0000 | |
| 24 | A | B | -0.5302 | |
| 25 | Y | B | -0.5090 | |
| 26 | Q | B | -1.7594 | |
| 27 | E | B | -2.4874 | |
| 28 | D | B | -2.5032 | |
| 29 | G | B | -1.9616 | |
| 30 | R | B | 0.0000 | |
| 31 | G | B | -0.8023 | |
| 32 | L | B | 0.0267 | |
| 33 | S | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | D | B | 0.0000 | |
| 37 | T | B | -0.1971 | |
| 38 | F | B | 0.0000 | |
| 39 | A | B | 0.0000 | |
| 40 | H | B | -0.7073 | |
| 41 | T | B | -0.6066 | |
| 42 | P | B | -0.7039 | |
| 43 | G | B | -0.7791 | |
| 44 | K | B | -0.9001 | |
| 45 | V | B | 0.0000 | |
| 46 | F | B | -0.0922 | |
| 47 | N | B | -0.8023 | |
| 48 | G | B | 0.0000 | |
| 49 | D | B | 0.0000 | |
| 50 | N | B | -0.1412 | |
| 51 | G | B | 0.0000 | |
| 52 | N | B | 0.3468 | |
| 53 | V | B | 1.5305 | |
| 54 | A | B | 0.0000 | |
| 55 | C | B | 0.0000 | |
| 56 | D | B | 0.0000 | |
| 57 | S | B | 0.0000 | |
| 58 | Y | B | 0.0000 | |
| 59 | H | B | -1.7593 | |
| 60 | R | B | -2.6233 | |
| 61 | Y | B | 0.0000 | |
| 62 | E | B | -3.6453 | |
| 63 | E | B | -3.5242 | |
| 64 | D | B | 0.0000 | |
| 65 | I | B | 0.0000 | |
| 66 | R | B | -3.3603 | |
| 67 | L | B | -2.3064 | |
| 68 | M | B | 0.0000 | |
| 69 | K | B | -3.0677 | |
| 70 | E | B | -2.8661 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.7515 | |
| 73 | I | B | 0.0000 | |
| 74 | R | B | -1.7918 | |
| 75 | T | B | 0.0000 | |
| 76 | Y | B | 0.0000 | |
| 77 | R | B | 0.0000 | |
| 78 | F | B | 0.0000 | |
| 79 | S | B | 0.0000 | |
| 80 | V | B | 0.0000 | |
| 81 | S | B | 0.0000 | |
| 82 | W | B | 0.0000 | |
| 83 | P | B | 0.0000 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.1093 | |
| 88 | N | B | -1.9360 | |
| 89 | G | B | 0.0000 | |
| 90 | D | B | -2.4107 | |
| 91 | G | B | -1.9964 | |
| 92 | E | B | -1.9773 | |
| 93 | V | B | -0.6210 | |
| 94 | N | B | -1.5453 | |
| 95 | Q | B | -2.2389 | |
| 96 | E | B | -2.9738 | |
| 97 | G | B | 0.0000 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -2.5149 | |
| 100 | Y | B | 0.0000 | |
| 101 | Y | B | 0.0000 | |
| 102 | H | B | -2.0076 | |
| 103 | R | B | -2.6844 | |
| 104 | V | B | 0.0000 | |
| 105 | V | B | 0.0000 | |
| 106 | D | B | -2.4859 | |
| 107 | L | B | -2.3040 | |
| 108 | L | B | 0.0000 | |
| 109 | N | B | -2.4173 | |
| 110 | D | B | -2.6164 | |
| 111 | N | B | 0.0000 | |
| 112 | G | B | -2.0168 | |
| 113 | I | B | 0.0000 | |
| 114 | E | B | -1.8279 | |
| 115 | P | B | 0.0000 | |
| 116 | F | B | 0.0000 | |
| 117 | C | B | 0.0000 | |
| 118 | T | B | 0.0000 | |
| 119 | L | B | 0.0000 | |
| 120 | Y | B | 0.0000 | |
| 121 | H | B | 0.0000 | |
| 122 | W | B | 0.0000 | |
| 123 | D | B | 0.0000 | |
| 124 | L | B | 0.0000 | |
| 125 | P | B | 0.0000 | |
| 126 | Q | B | -0.8957 | |
| 127 | A | B | -1.3225 | |
| 128 | L | B | 0.0000 | |
| 129 | Q | B | -1.3300 | |
| 130 | D | B | -2.0153 | |
| 131 | A | B | -1.3775 | |
| 132 | G | B | -1.3982 | |
| 133 | G | B | 0.0000 | |
| 134 | W | B | 0.0000 | |
| 135 | G | B | -0.9749 | |
| 136 | N | B | -1.5658 | |
| 137 | R | B | -1.9026 | |
| 138 | R | B | -2.4530 | |
| 139 | T | B | 0.0000 | |
| 140 | I | B | 0.0000 | |
| 141 | Q | B | -2.1277 | |
| 142 | A | B | 0.0000 | |
| 143 | F | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | Q | B | -1.1693 | |
| 146 | F | B | 0.0000 | |
| 147 | A | B | 0.0000 | |
| 148 | E | B | -1.1843 | |
| 149 | T | B | 0.0000 | |
| 150 | M | B | 0.0000 | |
| 151 | F | B | 0.0000 | |
| 152 | R | B | -2.5264 | |
| 153 | E | B | -1.9745 | |
| 154 | F | B | 0.0000 | |
| 155 | H | B | -2.2990 | |
| 156 | G | B | -1.6508 | |
| 157 | K | B | -1.6749 | |
| 158 | I | B | 0.0000 | |
| 159 | Q | B | -1.2221 | |
| 160 | H | B | 0.0000 | |
| 161 | W | B | 0.0000 | |
| 162 | L | B | 0.0000 | |
| 163 | T | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | N | B | 0.0000 | |
| 166 | E | B | 0.0000 | |
| 167 | P | B | 0.0000 | |
| 168 | W | B | 0.1383 | |
| 169 | C | B | 0.4038 | |
| 170 | I | B | 0.0000 | |
| 171 | A | B | 0.0000 | |
| 172 | F | B | 0.0000 | |
| 173 | L | B | 0.8942 | |
| 174 | S | B | 0.0000 | |
| 175 | N | B | 0.0000 | |
| 176 | M | B | 0.3973 | |
| 177 | L | B | 1.0190 | |
| 178 | G | B | 0.7395 | |
| 179 | V | B | 1.2069 | |
| 180 | H | B | 0.0000 | |
| 181 | A | B | 0.0000 | |
| 182 | P | B | 0.1389 | |
| 183 | G | B | 0.3406 | |
| 184 | L | B | 0.5927 | |
| 185 | T | B | 0.0554 | |
| 186 | N | B | -0.9816 | |
| 187 | L | B | -0.6329 | |
| 188 | Q | B | -0.9707 | |
| 189 | T | B | -0.6431 | |
| 190 | A | B | 0.0000 | |
| 191 | I | B | 0.0000 | |
| 192 | D | B | -0.5609 | |
| 193 | V | B | 0.0000 | |
| 194 | G | B | 0.0000 | |
| 195 | H | B | 0.0000 | |
| 196 | H | B | 0.0000 | |
| 197 | L | B | 0.0000 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | A | B | 0.0000 | |
| 201 | H | B | 0.0000 | |
| 202 | G | B | 0.0000 | |
| 203 | L | B | -0.0746 | |
| 204 | S | B | 0.0000 | |
| 205 | V | B | 0.0000 | |
| 206 | R | B | -1.1424 | |
| 207 | R | B | -1.4576 | |
| 208 | F | B | 0.0000 | |
| 209 | R | B | -1.8995 | |
| 210 | E | B | -2.3001 | |
| 211 | L | B | -1.4762 | |
| 212 | G | B | -1.5633 | |
| 213 | T | B | -1.6782 | |
| 214 | S | B | -1.2914 | |
| 215 | G | B | -1.2060 | |
| 216 | Q | B | -0.7722 | |
| 217 | I | B | 0.0000 | |
| 218 | G | B | 0.0000 | |
| 219 | I | B | 0.0000 | |
| 220 | A | B | 0.0000 | |
| 221 | P | B | 0.0000 | |
| 222 | N | B | -0.1451 | |
| 223 | V | B | 0.0000 | |
| 224 | S | B | -0.0157 | |
| 225 | W | B | 0.0100 | |
| 226 | A | B | 0.0000 | |
| 227 | V | B | 0.1130 | |
| 228 | P | B | -0.5812 | |
| 229 | Y | B | 0.7363 | |
| 230 | S | B | -0.3484 | |
| 231 | T | B | -0.9330 | |
| 232 | S | B | -1.8524 | |
| 233 | E | B | -3.2570 | |
| 234 | E | B | -3.0316 | |
| 235 | D | B | 0.0000 | |
| 236 | K | B | -2.7392 | |
| 237 | A | B | -1.7951 | |
| 238 | A | B | 0.0000 | |
| 239 | C | B | 0.0000 | |
| 240 | A | B | -0.3399 | |
| 241 | R | B | 0.0000 | |
| 242 | T | B | -0.2097 | |
| 243 | I | B | 0.0000 | |
| 244 | S | B | 0.0000 | |
| 245 | L | B | 0.0000 | |
| 246 | H | B | -0.0954 | |
| 247 | S | B | 0.0000 | |
| 248 | D | B | 0.0000 | |
| 249 | W | B | 0.0000 | |
| 250 | F | B | 0.0000 | |
| 251 | L | B | 0.0000 | |
| 252 | Q | B | -0.8376 | |
| 253 | P | B | 0.0000 | |
| 254 | I | B | 0.0000 | |
| 255 | Y | B | -0.7525 | |
| 256 | Q | B | -1.4975 | |
| 257 | G | B | -1.2797 | |
| 258 | S | B | -0.9654 | |
| 259 | Y | B | 0.0000 | |
| 260 | P | B | 0.0000 | |
| 261 | Q | B | -0.9496 | |
| 262 | F | B | 0.1316 | |
| 263 | L | B | 0.0000 | |
| 264 | V | B | -0.7782 | |
| 265 | D | B | -1.9100 | |
| 266 | W | B | -1.2074 | |
| 267 | F | B | 0.0000 | |
| 268 | A | B | -1.6730 | |
| 269 | E | B | -2.7058 | |
| 270 | Q | B | -2.1521 | |
| 271 | G | B | -1.6822 | |
| 272 | A | B | 0.0000 | |
| 273 | T | B | -0.4970 | |
| 274 | V | B | 0.2588 | |
| 275 | P | B | -0.0278 | |
| 276 | I | B | 0.1466 | |
| 277 | Q | B | -1.4845 | |
| 278 | D | B | -2.3915 | |
| 279 | G | B | -1.7305 | |
| 280 | D | B | 0.0000 | |
| 281 | M | B | -1.2963 | |
| 282 | D | B | -2.1932 | |
| 283 | I | B | -0.8688 | |
| 284 | I | B | 0.0000 | |
| 285 | G | B | -1.1167 | |
| 286 | E | B | -0.6760 | |
| 287 | P | B | -0.4898 | |
| 288 | I | B | -0.3394 | |
| 289 | D | B | -0.7563 | |
| 290 | M | B | 0.0000 | |
| 291 | I | B | 0.0000 | |
| 292 | G | B | 0.0000 | |
| 293 | I | B | 0.0000 | |
| 294 | N | B | 0.0000 | |
| 295 | Y | B | 0.0000 | |
| 296 | Y | B | 0.1921 | |
| 297 | S | B | 0.1550 | |
| 298 | M | B | 0.0000 | |
| 299 | S | B | -0.2456 | |
| 300 | V | B | -0.0058 | |
| 301 | N | B | 0.0000 | |
| 302 | R | B | -1.7727 | |
| 303 | F | B | -1.7550 | |
| 304 | N | B | -1.6557 | |
| 305 | P | B | -1.4531 | |
| 306 | E | B | -2.1863 | |
| 307 | A | B | -1.7795 | |
| 308 | G | B | -1.0114 | |
| 309 | F | B | -0.3282 | |
| 310 | L | B | -0.3254 | |
| 311 | Q | B | -1.3329 | |
| 312 | S | B | -1.6836 | |
| 313 | E | B | -2.0409 | |
| 314 | E | B | -2.0528 | |
| 315 | I | B | -0.9566 | |
| 316 | N | B | -1.1050 | |
| 317 | M | B | 0.3500 | |
| 318 | G | B | 0.1531 | |
| 319 | L | B | 0.8970 | |
| 320 | P | B | 0.7827 | |
| 321 | V | B | 1.3690 | |
| 322 | T | B | 0.0000 | |
| 323 | D | B | -0.7856 | |
| 324 | I | B | -0.1403 | |
| 325 | G | B | 0.2090 | |
| 326 | W | B | 0.7940 | |
| 327 | P | B | 0.7940 | |
| 328 | V | B | 0.4754 | |
| 329 | E | B | -0.2821 | |
| 330 | S | B | 0.0000 | |
| 331 | R | B | -1.4757 | |
| 332 | G | B | 0.0000 | |
| 333 | L | B | 0.0000 | |
| 334 | Y | B | -0.9087 | |
| 335 | E | B | -0.9217 | |
| 336 | V | B | 0.0000 | |
| 337 | L | B | 0.0000 | |
| 338 | H | B | -0.9926 | |
| 339 | Y | B | -0.4537 | |
| 340 | L | B | 0.0000 | |
| 341 | Q | B | -1.2612 | |
| 342 | K | B | -1.5675 | |
| 343 | Y | B | -0.9770 | |
| 344 | G | B | -1.0771 | |
| 345 | N | B | -1.4404 | |
| 346 | I | B | -0.9157 | |
| 347 | D | B | -1.0506 | |
| 348 | I | B | 0.0000 | |
| 349 | Y | B | 0.0000 | |
| 350 | I | B | 0.0000 | |
| 351 | T | B | 0.0000 | |
| 352 | E | B | 0.0000 | |
| 353 | N | B | 0.0000 | |
| 354 | G | B | 0.0000 | |
| 355 | A | B | 0.0000 | |
| 356 | C | B | 0.0000 | |
| 357 | I | B | 0.0000 | |
| 358 | N | B | -1.5296 | |
| 359 | D | B | -1.7809 | |
| 360 | E | B | -1.2668 | |
| 361 | V | B | -0.1632 | |
| 362 | V | B | 0.3662 | |
| 363 | N | B | -0.9101 | |
| 364 | G | B | -0.9742 | |
| 365 | K | B | -1.3122 | |
| 366 | V | B | 0.0000 | |
| 367 | Q | B | -1.7406 | |
| 368 | D | B | 0.0000 | |
| 369 | D | B | -2.6543 | |
| 370 | R | B | -2.4429 | |
| 371 | R | B | 0.0000 | |
| 372 | I | B | -1.0536 | |
| 373 | S | B | -1.2038 | |
| 374 | Y | B | 0.0000 | |
| 375 | M | B | 0.0000 | |
| 376 | Q | B | -0.6298 | |
| 377 | Q | B | -0.8060 | |
| 378 | H | B | 0.0000 | |
| 379 | L | B | 0.0000 | |
| 380 | V | B | -0.4969 | |
| 381 | Q | B | -0.9301 | |
| 382 | V | B | 0.0000 | |
| 383 | H | B | -1.1097 | |
| 384 | R | B | -1.5569 | |
| 385 | T | B | 0.0000 | |
| 386 | I | B | -1.3243 | |
| 387 | H | B | -2.1276 | |
| 388 | D | B | -2.1364 | |
| 389 | G | B | -1.6366 | |
| 390 | L | B | 0.0000 | |
| 391 | H | B | -1.5852 | |
| 392 | V | B | 0.0000 | |
| 393 | K | B | -1.3385 | |
| 394 | G | B | 0.0000 | |
| 395 | Y | B | 0.0000 | |
| 396 | M | B | 0.0000 | |
| 397 | A | B | 0.0000 | |
| 398 | W | B | 0.0000 | |
| 399 | S | B | 0.0000 | |
| 400 | L | B | 0.0000 | |
| 401 | L | B | 0.0000 | |
| 402 | D | B | 0.0000 | |
| 403 | N | B | 0.0000 | |
| 404 | F | B | 0.0000 | |
| 405 | E | B | 0.0000 | |
| 406 | W | B | 0.0000 | |
| 407 | A | B | -0.2630 | |
| 408 | E | B | -0.7290 | |
| 409 | G | B | 0.0000 | |
| 410 | Y | B | -0.3683 | |
| 411 | N | B | -1.1371 | |
| 412 | M | B | -0.7363 | |
| 413 | R | B | -0.8561 | |
| 414 | F | B | 0.0000 | |
| 415 | G | B | 0.0000 | |
| 416 | M | B | 0.0000 | |
| 417 | I | B | 0.0000 | |
| 418 | H | B | 0.0000 | |
| 419 | V | B | 0.0000 | |
| 420 | D | B | -0.3198 | |
| 421 | F | B | 0.1136 | |
| 422 | R | B | -0.7098 | |
| 423 | T | B | -0.1603 | |
| 424 | Q | B | 0.1042 | |
| 425 | V | B | 1.2016 | |
| 426 | R | B | 0.2802 | |
| 427 | T | B | -0.0999 | |
| 428 | P | B | -0.3363 | |
| 429 | K | B | 0.0000 | |
| 430 | E | B | -0.9861 | |
| 431 | S | B | 0.0000 | |
| 432 | Y | B | 0.0000 | |
| 433 | Y | B | -0.4122 | |
| 434 | W | B | -0.3047 | |
| 435 | Y | B | 0.0000 | |
| 436 | R | B | -1.1669 | |
| 437 | N | B | -0.8633 | |
| 438 | V | B | 0.0000 | |
| 439 | V | B | 0.0000 | |
| 440 | S | B | -0.8385 | |
| 441 | N | B | -0.8713 | |
| 442 | N | B | -1.2174 | |
| 443 | W | B | 0.0000 | |
| 444 | L | B | 0.0000 | |
| 445 | E | B | -0.8873 | |
| 446 | T | B | -1.4230 | |
| 447 | R | B | -2.6609 | |
| 448 | R | B | -2.6616 | |
| 2 | T | C | -0.5517 | |
| 3 | I | C | -0.0427 | |
| 4 | F | C | -0.4734 | |
| 5 | Q | C | -1.3738 | |
| 6 | F | C | 0.0000 | |
| 7 | P | C | -1.7088 | |
| 8 | Q | C | -2.3076 | |
| 9 | D | C | -2.6452 | |
| 10 | F | C | 0.0000 | |
| 11 | M | C | -1.1349 | |
| 12 | W | C | 0.0000 | |
| 13 | G | C | 0.0000 | |
| 14 | T | C | 0.0000 | |
| 15 | A | C | 0.0000 | |
| 16 | T | C | 0.0000 | |
| 17 | A | C | 0.0000 | |
| 18 | A | C | 0.0000 | |
| 19 | Y | C | 0.0000 | |
| 20 | Q | C | 0.0000 | |
| 21 | I | C | 0.0000 | |
| 22 | E | C | 0.0000 | |
| 23 | G | C | 0.0000 | |
| 24 | A | C | 0.0000 | |
| 25 | Y | C | -0.6223 | |
| 26 | Q | C | -1.8996 | |
| 27 | E | C | -2.7885 | |
| 28 | D | C | -2.8165 | |
| 29 | G | C | -2.1183 | |
| 30 | R | C | 0.0000 | |
| 31 | G | C | -0.8366 | |
| 32 | L | C | 0.0365 | |
| 33 | S | C | 0.0000 | |
| 34 | I | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | D | C | 0.0000 | |
| 37 | T | C | -0.2035 | |
| 38 | F | C | 0.0000 | |
| 39 | A | C | 0.0000 | |
| 40 | H | C | -0.7063 | |
| 41 | T | C | -0.6184 | |
| 42 | P | C | -0.7175 | |
| 43 | G | C | -0.7862 | |
| 44 | K | C | -0.8964 | |
| 45 | V | C | 0.0000 | |
| 46 | F | C | 0.0217 | |
| 47 | N | C | -0.8176 | |
| 48 | G | C | 0.0000 | |
| 49 | D | C | 0.0000 | |
| 50 | N | C | -0.1404 | |
| 51 | G | C | 0.0000 | |
| 52 | N | C | 0.1822 | |
| 53 | V | C | 1.3639 | |
| 54 | A | C | 0.0000 | |
| 55 | C | C | 0.0000 | |
| 56 | D | C | -0.2404 | |
| 57 | S | C | 0.0000 | |
| 58 | Y | C | 0.0000 | |
| 59 | H | C | -1.7954 | |
| 60 | R | C | -2.6256 | |
| 61 | Y | C | 0.0000 | |
| 62 | E | C | -3.2099 | |
| 63 | E | C | -3.3184 | |
| 64 | D | C | 0.0000 | |
| 65 | I | C | 0.0000 | |
| 66 | R | C | -3.0200 | |
| 67 | L | C | -2.1250 | |
| 68 | M | C | 0.0000 | |
| 69 | K | C | -2.9008 | |
| 70 | E | C | -2.7465 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.7055 | |
| 73 | I | C | 0.0000 | |
| 74 | R | C | -1.7081 | |
| 75 | T | C | 0.0000 | |
| 76 | Y | C | 0.0000 | |
| 77 | R | C | 0.0000 | |
| 78 | F | C | 0.0000 | |
| 79 | S | C | 0.0000 | |
| 80 | V | C | 0.0000 | |
| 81 | S | C | 0.0000 | |
| 82 | W | C | 0.0000 | |
| 83 | P | C | 0.0000 | |
| 84 | R | C | 0.0000 | |
| 85 | I | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | P | C | -1.1033 | |
| 88 | N | C | -1.9302 | |
| 89 | G | C | 0.0000 | |
| 90 | D | C | -2.7388 | |
| 91 | G | C | -2.1561 | |
| 92 | E | C | -1.9910 | |
| 93 | V | C | -0.5850 | |
| 94 | N | C | -1.4917 | |
| 95 | Q | C | -2.1561 | |
| 96 | E | C | -2.9279 | |
| 97 | G | C | 0.0000 | |
| 98 | L | C | 0.0000 | |
| 99 | D | C | -2.4914 | |
| 100 | Y | C | 0.0000 | |
| 101 | Y | C | 0.0000 | |
| 102 | H | C | -2.0126 | |
| 103 | R | C | -2.6086 | |
| 104 | V | C | 0.0000 | |
| 105 | V | C | 0.0000 | |
| 106 | D | C | -2.4004 | |
| 107 | L | C | -2.0884 | |
| 108 | L | C | 0.0000 | |
| 109 | N | C | -2.2358 | |
| 110 | D | C | -2.5118 | |
| 111 | N | C | 0.0000 | |
| 112 | G | C | -1.9053 | |
| 113 | I | C | 0.0000 | |
| 114 | E | C | -1.6583 | |
| 115 | P | C | 0.0000 | |
| 116 | F | C | 0.0000 | |
| 117 | C | C | 0.0000 | |
| 118 | T | C | 0.0000 | |
| 119 | L | C | 0.0000 | |
| 120 | Y | C | 0.0000 | |
| 121 | H | C | 0.0000 | |
| 122 | W | C | 0.0000 | |
| 123 | D | C | 0.0000 | |
| 124 | L | C | 0.0000 | |
| 125 | P | C | 0.0000 | |
| 126 | Q | C | -0.8854 | |
| 127 | A | C | -1.3341 | |
| 128 | L | C | 0.0000 | |
| 129 | Q | C | -1.3331 | |
| 130 | D | C | -2.0135 | |
| 131 | A | C | -1.4445 | |
| 132 | G | C | -1.4641 | |
| 133 | G | C | 0.0000 | |
| 134 | W | C | 0.0000 | |
| 135 | G | C | -1.0507 | |
| 136 | N | C | -1.7489 | |
| 137 | R | C | -2.1610 | |
| 138 | R | C | -2.9549 | |
| 139 | T | C | 0.0000 | |
| 140 | I | C | 0.0000 | |
| 141 | Q | C | -2.4189 | |
| 142 | A | C | 0.0000 | |
| 143 | F | C | 0.0000 | |
| 144 | V | C | 0.0000 | |
| 145 | Q | C | -1.5338 | |
| 146 | F | C | 0.0000 | |
| 147 | A | C | 0.0000 | |
| 148 | E | C | -1.2814 | |
| 149 | T | C | -1.0665 | |
| 150 | M | C | 0.0000 | |
| 151 | F | C | 0.0000 | |
| 152 | R | C | -2.5460 | |
| 153 | E | C | -2.1061 | |
| 154 | F | C | 0.0000 | |
| 155 | H | C | -2.0743 | |
| 156 | G | C | -1.5514 | |
| 157 | K | C | -1.6134 | |
| 158 | I | C | 0.0000 | |
| 159 | Q | C | -1.2626 | |
| 160 | H | C | -0.7967 | |
| 161 | W | C | 0.0000 | |
| 162 | L | C | 0.0000 | |
| 163 | T | C | 0.0000 | |
| 164 | F | C | 0.0000 | |
| 165 | N | C | 0.0000 | |
| 166 | E | C | 0.0000 | |
| 167 | P | C | 0.0000 | |
| 168 | W | C | 0.0974 | |
| 169 | C | C | 0.0000 | |
| 170 | I | C | 0.0000 | |
| 171 | A | C | 0.0000 | |
| 172 | F | C | 0.0000 | |
| 173 | L | C | 0.8689 | |
| 174 | S | C | 0.0000 | |
| 175 | N | C | 0.0000 | |
| 176 | M | C | 0.3634 | |
| 177 | L | C | 0.9862 | |
| 178 | G | C | 0.7349 | |
| 179 | V | C | 1.2062 | |
| 180 | H | C | 0.0000 | |
| 181 | A | C | 0.0000 | |
| 182 | P | C | 0.1503 | |
| 183 | G | C | 0.3445 | |
| 184 | L | C | 0.5970 | |
| 185 | T | C | 0.0309 | |
| 186 | N | C | -1.0467 | |
| 187 | L | C | -0.6365 | |
| 188 | Q | C | -0.9754 | |
| 189 | T | C | -0.6654 | |
| 190 | A | C | 0.0000 | |
| 191 | I | C | 0.0000 | |
| 192 | D | C | -0.5749 | |
| 193 | V | C | 0.0000 | |
| 194 | G | C | 0.0000 | |
| 195 | H | C | 0.0000 | |
| 196 | H | C | 0.0000 | |
| 197 | L | C | 0.0000 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | A | C | 0.0000 | |
| 201 | H | C | 0.0000 | |
| 202 | G | C | 0.0000 | |
| 203 | L | C | -0.4710 | |
| 204 | S | C | 0.0000 | |
| 205 | V | C | 0.0000 | |
| 206 | R | C | -2.1329 | |
| 207 | R | C | -1.9648 | |
| 208 | F | C | 0.0000 | |
| 209 | R | C | -2.2775 | |
| 210 | E | C | -2.6302 | |
| 211 | L | C | -1.7236 | |
| 212 | G | C | -1.6997 | |
| 213 | T | C | 0.0000 | |
| 214 | S | C | -1.2810 | |
| 215 | G | C | -1.2132 | |
| 216 | Q | C | -0.8479 | |
| 217 | I | C | 0.0000 | |
| 218 | G | C | 0.0000 | |
| 219 | I | C | 0.0000 | |
| 220 | A | C | 0.0000 | |
| 221 | P | C | 0.0000 | |
| 222 | N | C | -0.1539 | |
| 223 | V | C | 0.0000 | |
| 224 | S | C | -0.0159 | |
| 225 | W | C | 0.0355 | |
| 226 | A | C | 0.0000 | |
| 227 | V | C | 0.2307 | |
| 228 | P | C | -0.5668 | |
| 229 | Y | C | 0.7045 | |
| 230 | S | C | -0.3424 | |
| 231 | T | C | -0.9306 | |
| 232 | S | C | -1.8546 | |
| 233 | E | C | -3.1605 | |
| 234 | E | C | -3.0503 | |
| 235 | D | C | 0.0000 | |
| 236 | K | C | -2.7360 | |
| 237 | A | C | -1.7946 | |
| 238 | A | C | 0.0000 | |
| 239 | C | C | 0.0000 | |
| 240 | A | C | -0.3320 | |
| 241 | R | C | 0.0000 | |
| 242 | T | C | -0.2265 | |
| 243 | I | C | 0.0000 | |
| 244 | S | C | 0.0000 | |
| 245 | L | C | 0.0000 | |
| 246 | H | C | -0.1137 | |
| 247 | S | C | 0.0000 | |
| 248 | D | C | 0.0000 | |
| 249 | W | C | 0.0000 | |
| 250 | F | C | 0.0000 | |
| 251 | L | C | 0.0000 | |
| 252 | Q | C | -0.8337 | |
| 253 | P | C | 0.0000 | |
| 254 | I | C | 0.0000 | |
| 255 | Y | C | -0.7642 | |
| 256 | Q | C | -1.4965 | |
| 257 | G | C | -1.2941 | |
| 258 | S | C | -0.9687 | |
| 259 | Y | C | 0.0000 | |
| 260 | P | C | 0.0000 | |
| 261 | Q | C | -0.9176 | |
| 262 | F | C | 0.1694 | |
| 263 | L | C | 0.0000 | |
| 264 | V | C | -0.7149 | |
| 265 | D | C | -1.7897 | |
| 266 | W | C | -1.1163 | |
| 267 | F | C | 0.0000 | |
| 268 | A | C | -1.5670 | |
| 269 | E | C | -2.5813 | |
| 270 | Q | C | -1.9272 | |
| 271 | G | C | -1.5719 | |
| 272 | A | C | 0.0000 | |
| 273 | T | C | -0.4607 | |
| 274 | V | C | 0.2571 | |
| 275 | P | C | -0.0272 | |
| 276 | I | C | 0.1536 | |
| 277 | Q | C | -1.4690 | |
| 278 | D | C | -2.3836 | |
| 279 | G | C | -1.7201 | |
| 280 | D | C | 0.0000 | |
| 281 | M | C | -1.3133 | |
| 282 | D | C | -2.2132 | |
| 283 | I | C | -1.0599 | |
| 284 | I | C | 0.0000 | |
| 285 | G | C | -1.1504 | |
| 286 | E | C | -1.0280 | |
| 287 | P | C | -0.6605 | |
| 288 | I | C | -0.5046 | |
| 289 | D | C | -0.8616 | |
| 290 | M | C | 0.0000 | |
| 291 | I | C | 0.0000 | |
| 292 | G | C | 0.0000 | |
| 293 | I | C | 0.0000 | |
| 294 | N | C | 0.0000 | |
| 295 | Y | C | 0.0000 | |
| 296 | Y | C | 0.2370 | |
| 297 | S | C | 0.1657 | |
| 298 | M | C | 0.0000 | |
| 299 | S | C | -0.2616 | |
| 300 | V | C | -0.0560 | |
| 301 | N | C | 0.0000 | |
| 302 | R | C | -1.6695 | |
| 303 | F | C | -1.8394 | |
| 304 | N | C | -1.7608 | |
| 305 | P | C | -1.4546 | |
| 306 | E | C | -2.2054 | |
| 307 | A | C | -1.8469 | |
| 308 | G | C | -1.0339 | |
| 309 | F | C | -0.2713 | |
| 310 | L | C | -0.3398 | |
| 311 | Q | C | -1.3669 | |
| 312 | S | C | -1.7827 | |
| 313 | E | C | -2.2420 | |
| 314 | E | C | -2.1617 | |
| 315 | I | C | -1.0249 | |
| 316 | N | C | -1.2177 | |
| 317 | M | C | 0.1113 | |
| 318 | G | C | -0.0333 | |
| 319 | L | C | 0.7478 | |
| 320 | P | C | 0.5409 | |
| 321 | V | C | 0.8636 | |
| 322 | T | C | 0.0000 | |
| 323 | D | C | -0.9572 | |
| 324 | I | C | -0.2651 | |
| 325 | G | C | 0.0449 | |
| 326 | W | C | 0.6358 | |
| 327 | P | C | 0.6137 | |
| 328 | V | C | 0.5661 | |
| 329 | E | C | -0.2770 | |
| 330 | S | C | 0.0000 | |
| 331 | R | C | -1.3783 | |
| 332 | G | C | 0.0000 | |
| 333 | L | C | 0.0000 | |
| 334 | Y | C | -0.8288 | |
| 335 | E | C | -0.8979 | |
| 336 | V | C | 0.0000 | |
| 337 | L | C | 0.0000 | |
| 338 | H | C | -0.9842 | |
| 339 | Y | C | -0.4542 | |
| 340 | L | C | 0.0000 | |
| 341 | Q | C | -1.2952 | |
| 342 | K | C | -1.6193 | |
| 343 | Y | C | -1.0041 | |
| 344 | G | C | -1.1353 | |
| 345 | N | C | -1.5217 | |
| 346 | I | C | -1.0608 | |
| 347 | D | C | -1.3016 | |
| 348 | I | C | 0.0000 | |
| 349 | Y | C | 0.0000 | |
| 350 | I | C | 0.0000 | |
| 351 | T | C | 0.0000 | |
| 352 | E | C | 0.0000 | |
| 353 | N | C | 0.0000 | |
| 354 | G | C | 0.0000 | |
| 355 | A | C | 0.0000 | |
| 356 | C | C | 0.0000 | |
| 357 | I | C | 0.0000 | |
| 358 | N | C | -1.4525 | |
| 359 | D | C | -1.7876 | |
| 360 | E | C | -1.2187 | |
| 361 | V | C | -0.1399 | |
| 362 | V | C | 0.3904 | |
| 363 | N | C | -0.8898 | |
| 364 | G | C | -0.9401 | |
| 365 | K | C | -1.2478 | |
| 366 | V | C | 0.0000 | |
| 367 | Q | C | -1.7567 | |
| 368 | D | C | 0.0000 | |
| 369 | D | C | -2.6753 | |
| 370 | R | C | -2.4803 | |
| 371 | R | C | 0.0000 | |
| 372 | I | C | -1.0825 | |
| 373 | S | C | -1.2438 | |
| 374 | Y | C | 0.0000 | |
| 375 | M | C | 0.0000 | |
| 376 | Q | C | -0.7386 | |
| 377 | Q | C | -1.0307 | |
| 378 | H | C | 0.0000 | |
| 379 | L | C | 0.0000 | |
| 380 | V | C | -0.5688 | |
| 381 | Q | C | 0.0000 | |
| 382 | V | C | 0.0000 | |
| 383 | H | C | -1.0891 | |
| 384 | R | C | -1.5262 | |
| 385 | T | C | 0.0000 | |
| 386 | I | C | -1.3274 | |
| 387 | H | C | -2.1182 | |
| 388 | D | C | -2.1335 | |
| 389 | G | C | -1.6510 | |
| 390 | L | C | 0.0000 | |
| 391 | H | C | -1.7289 | |
| 392 | V | C | 0.0000 | |
| 393 | K | C | -1.4036 | |
| 394 | G | C | 0.0000 | |
| 395 | Y | C | 0.0000 | |
| 396 | M | C | 0.0000 | |
| 397 | A | C | 0.0000 | |
| 398 | W | C | 0.0000 | |
| 399 | S | C | 0.0000 | |
| 400 | L | C | 0.0000 | |
| 401 | L | C | 0.0000 | |
| 402 | D | C | 0.0000 | |
| 403 | N | C | 0.0000 | |
| 404 | F | C | 0.0000 | |
| 405 | E | C | 0.0000 | |
| 406 | W | C | 0.0000 | |
| 407 | A | C | -0.2311 | |
| 408 | E | C | -0.6889 | |
| 409 | G | C | 0.0000 | |
| 410 | Y | C | -0.3457 | |
| 411 | N | C | -1.1151 | |
| 412 | M | C | -0.7436 | |
| 413 | R | C | -0.8549 | |
| 414 | F | C | 0.0000 | |
| 415 | G | C | 0.0000 | |
| 416 | M | C | 0.0000 | |
| 417 | I | C | 0.0000 | |
| 418 | H | C | 0.0000 | |
| 419 | V | C | 0.0000 | |
| 420 | D | C | 0.0290 | |
| 421 | F | C | 0.2942 | |
| 422 | R | C | -0.4361 | |
| 423 | T | C | 0.0578 | |
| 424 | Q | C | 0.2649 | |
| 425 | V | C | 1.3584 | |
| 426 | R | C | 0.3544 | |
| 427 | T | C | -0.0307 | |
| 428 | P | C | -0.3155 | |
| 429 | K | C | 0.0000 | |
| 430 | E | C | -0.9599 | |
| 431 | S | C | 0.0000 | |
| 432 | Y | C | 0.0000 | |
| 433 | Y | C | -0.3807 | |
| 434 | W | C | -0.2777 | |
| 435 | Y | C | 0.0000 | |
| 436 | R | C | -1.1371 | |
| 437 | N | C | -0.8256 | |
| 438 | V | C | 0.0000 | |
| 439 | V | C | 0.0000 | |
| 440 | S | C | -0.8320 | |
| 441 | N | C | -0.8737 | |
| 442 | N | C | -1.2526 | |
| 443 | W | C | 0.0000 | |
| 444 | L | C | 0.0000 | |
| 445 | E | C | -0.8705 | |
| 446 | T | C | -1.4170 | |
| 447 | R | C | -2.5576 | |
| 448 | R | C | -2.6111 | |
| 2 | T | D | -0.6679 | |
| 3 | I | D | -0.1381 | |
| 4 | F | D | -0.5078 | |
| 5 | Q | D | -1.3886 | |
| 6 | F | D | 0.0000 | |
| 7 | P | D | -1.7170 | |
| 8 | Q | D | -2.3040 | |
| 9 | D | D | -2.6528 | |
| 10 | F | D | 0.0000 | |
| 11 | M | D | -1.1383 | |
| 12 | W | D | 0.0000 | |
| 13 | G | D | 0.0000 | |
| 14 | T | D | 0.0000 | |
| 15 | A | D | 0.0000 | |
| 16 | T | D | 0.0000 | |
| 17 | A | D | 0.0000 | |
| 18 | A | D | 0.0000 | |
| 19 | Y | D | 0.0000 | |
| 20 | Q | D | 0.0000 | |
| 21 | I | D | 0.0000 | |
| 22 | E | D | 0.0000 | |
| 23 | G | D | 0.0000 | |
| 24 | A | D | 0.0000 | |
| 25 | Y | D | -0.4859 | |
| 26 | Q | D | -1.6710 | |
| 27 | E | D | -2.3237 | |
| 28 | D | D | -2.5784 | |
| 29 | G | D | -1.9707 | |
| 30 | R | D | 0.0000 | |
| 31 | G | D | -0.7743 | |
| 32 | L | D | 0.0303 | |
| 33 | S | D | 0.0000 | |
| 34 | I | D | 0.0000 | |
| 35 | W | D | 0.0000 | |
| 36 | D | D | 0.0000 | |
| 37 | T | D | -0.2158 | |
| 38 | F | D | 0.0000 | |
| 39 | A | D | 0.0000 | |
| 40 | H | D | -0.7441 | |
| 41 | T | D | -0.6439 | |
| 42 | P | D | -0.7039 | |
| 43 | G | D | -0.7982 | |
| 44 | K | D | -0.9832 | |
| 45 | V | D | 0.0000 | |
| 46 | F | D | -0.1051 | |
| 47 | N | D | -0.8235 | |
| 48 | G | D | 0.0000 | |
| 49 | D | D | 0.0000 | |
| 50 | N | D | -0.1619 | |
| 51 | G | D | 0.0000 | |
| 52 | N | D | 0.2078 | |
| 53 | V | D | 1.3956 | |
| 54 | A | D | 0.0000 | |
| 55 | C | D | 0.0000 | |
| 56 | D | D | -0.3091 | |
| 57 | S | D | 0.0000 | |
| 58 | Y | D | 0.0000 | |
| 59 | H | D | -1.7240 | |
| 60 | R | D | -2.8836 | |
| 61 | Y | D | 0.0000 | |
| 62 | E | D | -3.5333 | |
| 63 | E | D | -3.2528 | |
| 64 | D | D | 0.0000 | |
| 65 | I | D | 0.0000 | |
| 66 | R | D | -3.2066 | |
| 67 | L | D | 0.0000 | |
| 68 | M | D | 0.0000 | |
| 69 | K | D | -2.8084 | |
| 70 | E | D | -2.1312 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.5003 | |
| 73 | I | D | 0.0000 | |
| 74 | R | D | -1.7461 | |
| 75 | T | D | 0.0000 | |
| 76 | Y | D | 0.0000 | |
| 77 | R | D | 0.0000 | |
| 78 | F | D | 0.0000 | |
| 79 | S | D | 0.0000 | |
| 80 | V | D | 0.0000 | |
| 81 | S | D | 0.0000 | |
| 82 | W | D | 0.0000 | |
| 83 | P | D | 0.0000 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.0584 | |
| 88 | N | D | -1.8426 | |
| 89 | G | D | 0.0000 | |
| 90 | D | D | -2.3880 | |
| 91 | G | D | -1.9616 | |
| 92 | E | D | -1.9258 | |
| 93 | V | D | -0.5151 | |
| 94 | N | D | -1.4924 | |
| 95 | Q | D | -2.1697 | |
| 96 | E | D | -2.8932 | |
| 97 | G | D | 0.0000 | |
| 98 | L | D | 0.0000 | |
| 99 | D | D | -2.4791 | |
| 100 | Y | D | 0.0000 | |
| 101 | Y | D | 0.0000 | |
| 102 | H | D | -1.9708 | |
| 103 | R | D | -2.5714 | |
| 104 | V | D | 0.0000 | |
| 105 | V | D | 0.0000 | |
| 106 | D | D | -2.4326 | |
| 107 | L | D | -2.2504 | |
| 108 | L | D | 0.0000 | |
| 109 | N | D | -2.3360 | |
| 110 | D | D | -2.6593 | |
| 111 | N | D | -2.5531 | |
| 112 | G | D | -2.0678 | |
| 113 | I | D | 0.0000 | |
| 114 | E | D | -1.6341 | |
| 115 | P | D | 0.0000 | |
| 116 | F | D | 0.0000 | |
| 117 | C | D | 0.0000 | |
| 118 | T | D | 0.0000 | |
| 119 | L | D | 0.0000 | |
| 120 | Y | D | 0.0000 | |
| 121 | H | D | 0.0000 | |
| 122 | W | D | 0.0000 | |
| 123 | D | D | 0.0000 | |
| 124 | L | D | 0.0000 | |
| 125 | P | D | 0.0000 | |
| 126 | Q | D | -0.8826 | |
| 127 | A | D | -1.3031 | |
| 128 | L | D | 0.0000 | |
| 129 | Q | D | -1.3348 | |
| 130 | D | D | -2.0173 | |
| 131 | A | D | -1.3667 | |
| 132 | G | D | -1.3885 | |
| 133 | G | D | 0.0000 | |
| 134 | W | D | 0.0000 | |
| 135 | G | D | -0.9600 | |
| 136 | N | D | -1.5377 | |
| 137 | R | D | -1.8659 | |
| 138 | R | D | -2.3496 | |
| 139 | T | D | 0.0000 | |
| 140 | I | D | 0.0000 | |
| 141 | Q | D | -2.0354 | |
| 142 | A | D | 0.0000 | |
| 143 | F | D | 0.0000 | |
| 144 | V | D | -0.6531 | |
| 145 | Q | D | -1.1043 | |
| 146 | F | D | 0.0000 | |
| 147 | A | D | 0.0000 | |
| 148 | E | D | -1.1944 | |
| 149 | T | D | -0.9910 | |
| 150 | M | D | 0.0000 | |
| 151 | F | D | 0.0000 | |
| 152 | R | D | -2.5508 | |
| 153 | E | D | -2.1166 | |
| 154 | F | D | 0.0000 | |
| 155 | H | D | -2.0560 | |
| 156 | G | D | -1.5311 | |
| 157 | K | D | -1.5765 | |
| 158 | I | D | 0.0000 | |
| 159 | Q | D | -1.1748 | |
| 160 | H | D | 0.0000 | |
| 161 | W | D | 0.0000 | |
| 162 | L | D | 0.0000 | |
| 163 | T | D | 0.0000 | |
| 164 | F | D | 0.0000 | |
| 165 | N | D | 0.0000 | |
| 166 | E | D | 0.0000 | |
| 167 | P | D | 0.0000 | |
| 168 | W | D | 0.1317 | |
| 169 | C | D | 0.4108 | |
| 170 | I | D | 0.0000 | |
| 171 | A | D | 0.0000 | |
| 172 | F | D | 0.0000 | |
| 173 | L | D | 0.9129 | |
| 174 | S | D | 0.0000 | |
| 175 | N | D | 0.0000 | |
| 176 | M | D | 0.4273 | |
| 177 | L | D | 1.0727 | |
| 178 | G | D | 0.7504 | |
| 179 | V | D | 1.2146 | |
| 180 | H | D | 0.0000 | |
| 181 | A | D | 0.0000 | |
| 182 | P | D | 0.1319 | |
| 183 | G | D | 0.3301 | |
| 184 | L | D | 0.5818 | |
| 185 | T | D | 0.0691 | |
| 186 | N | D | -0.9686 | |
| 187 | L | D | -0.6116 | |
| 188 | Q | D | -0.9351 | |
| 189 | T | D | -0.6223 | |
| 190 | A | D | 0.0000 | |
| 191 | I | D | 0.0000 | |
| 192 | D | D | -0.5484 | |
| 193 | V | D | 0.0000 | |
| 194 | G | D | 0.0000 | |
| 195 | H | D | 0.0000 | |
| 196 | H | D | 0.0000 | |
| 197 | L | D | 0.0000 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | A | D | 0.0000 | |
| 201 | H | D | 0.0000 | |
| 202 | G | D | 0.0000 | |
| 203 | L | D | -0.0149 | |
| 204 | S | D | 0.0000 | |
| 205 | V | D | 0.0000 | |
| 206 | R | D | -1.1294 | |
| 207 | R | D | -1.4448 | |
| 208 | F | D | 0.0000 | |
| 209 | R | D | -1.9480 | |
| 210 | E | D | -2.3413 | |
| 211 | L | D | -1.5119 | |
| 212 | G | D | -1.5596 | |
| 213 | T | D | 0.0000 | |
| 214 | S | D | -1.2525 | |
| 215 | G | D | -1.2019 | |
| 216 | Q | D | -0.9209 | |
| 217 | I | D | 0.0000 | |
| 218 | G | D | 0.0000 | |
| 219 | I | D | 0.0000 | |
| 220 | A | D | 0.0000 | |
| 221 | P | D | 0.0000 | |
| 222 | N | D | -0.1538 | |
| 223 | V | D | 0.0000 | |
| 224 | S | D | -0.0233 | |
| 225 | W | D | -0.0003 | |
| 226 | A | D | 0.0000 | |
| 227 | V | D | 0.2989 | |
| 228 | P | D | -0.5116 | |
| 229 | Y | D | 0.7401 | |
| 230 | S | D | -0.3349 | |
| 231 | T | D | -0.9165 | |
| 232 | S | D | -1.8359 | |
| 233 | E | D | -3.1339 | |
| 234 | E | D | -2.9972 | |
| 235 | D | D | 0.0000 | |
| 236 | K | D | -2.6728 | |
| 237 | A | D | -1.7663 | |
| 238 | A | D | 0.0000 | |
| 239 | C | D | 0.0000 | |
| 240 | A | D | -0.3099 | |
| 241 | R | D | 0.0000 | |
| 242 | T | D | -0.1999 | |
| 243 | I | D | 0.0000 | |
| 244 | S | D | 0.0000 | |
| 245 | L | D | 0.0000 | |
| 246 | H | D | -0.1042 | |
| 247 | S | D | 0.0000 | |
| 248 | D | D | 0.0000 | |
| 249 | W | D | 0.0000 | |
| 250 | F | D | 0.0000 | |
| 251 | L | D | 0.0000 | |
| 252 | Q | D | -0.8477 | |
| 253 | P | D | 0.0000 | |
| 254 | I | D | 0.0000 | |
| 255 | Y | D | -0.7618 | |
| 256 | Q | D | -1.4927 | |
| 257 | G | D | -1.2731 | |
| 258 | S | D | -0.9512 | |
| 259 | Y | D | 0.0000 | |
| 260 | P | D | 0.0000 | |
| 261 | Q | D | -0.8586 | |
| 262 | F | D | 0.2239 | |
| 263 | L | D | 0.0000 | |
| 264 | V | D | -0.5838 | |
| 265 | D | D | -1.6776 | |
| 266 | W | D | -1.0791 | |
| 267 | F | D | 0.0000 | |
| 268 | A | D | -1.5597 | |
| 269 | E | D | -2.6365 | |
| 270 | Q | D | -2.1024 | |
| 271 | G | D | -1.6497 | |
| 272 | A | D | 0.0000 | |
| 273 | T | D | -0.4382 | |
| 274 | V | D | 0.2902 | |
| 275 | P | D | -0.0221 | |
| 276 | I | D | 0.1442 | |
| 277 | Q | D | -1.4889 | |
| 278 | D | D | -2.3902 | |
| 279 | G | D | -1.7150 | |
| 280 | D | D | 0.0000 | |
| 281 | M | D | -1.2863 | |
| 282 | D | D | -2.1810 | |
| 283 | I | D | -0.8611 | |
| 284 | I | D | 0.0000 | |
| 285 | G | D | -1.0931 | |
| 286 | E | D | -0.7424 | |
| 287 | P | D | -0.5095 | |
| 288 | I | D | -0.4294 | |
| 289 | D | D | -0.9357 | |
| 290 | M | D | 0.0000 | |
| 291 | I | D | 0.0000 | |
| 292 | G | D | 0.0000 | |
| 293 | I | D | 0.0000 | |
| 294 | N | D | 0.0000 | |
| 295 | Y | D | 0.0000 | |
| 296 | Y | D | 0.2040 | |
| 297 | S | D | 0.1397 | |
| 298 | M | D | 0.0000 | |
| 299 | S | D | -0.2426 | |
| 300 | V | D | -0.0042 | |
| 301 | N | D | 0.0000 | |
| 302 | R | D | -1.5892 | |
| 303 | F | D | -1.7442 | |
| 304 | N | D | -1.6562 | |
| 305 | P | D | -1.4556 | |
| 306 | E | D | -2.1869 | |
| 307 | A | D | -1.7824 | |
| 308 | G | D | -1.0074 | |
| 309 | F | D | -0.3220 | |
| 310 | L | D | -0.3250 | |
| 311 | Q | D | -1.3365 | |
| 312 | S | D | -1.6823 | |
| 313 | E | D | -2.0529 | |
| 314 | E | D | -2.0857 | |
| 315 | I | D | -1.0503 | |
| 316 | N | D | -1.2214 | |
| 317 | M | D | 0.1657 | |
| 318 | G | D | -0.0056 | |
| 319 | L | D | 0.6877 | |
| 320 | P | D | 0.6703 | |
| 321 | V | D | 1.2767 | |
| 322 | T | D | 0.0000 | |
| 323 | D | D | -0.7418 | |
| 324 | I | D | -0.1193 | |
| 325 | G | D | 0.2484 | |
| 326 | W | D | 0.7840 | |
| 327 | P | D | 0.7289 | |
| 328 | V | D | 0.4404 | |
| 329 | E | D | -0.3913 | |
| 330 | S | D | 0.0000 | |
| 331 | R | D | -1.6790 | |
| 332 | G | D | 0.0000 | |
| 333 | L | D | 0.0000 | |
| 334 | Y | D | -0.9519 | |
| 335 | E | D | -1.0415 | |
| 336 | V | D | 0.0000 | |
| 337 | L | D | 0.0000 | |
| 338 | H | D | -1.0109 | |
| 339 | Y | D | -0.5065 | |
| 340 | L | D | 0.0000 | |
| 341 | Q | D | -1.3040 | |
| 342 | K | D | -1.6820 | |
| 343 | Y | D | -1.0364 | |
| 344 | G | D | -1.1389 | |
| 345 | N | D | -1.4945 | |
| 346 | I | D | -1.0700 | |
| 347 | D | D | -1.3489 | |
| 348 | I | D | 0.0000 | |
| 349 | Y | D | 0.0000 | |
| 350 | I | D | 0.0000 | |
| 351 | T | D | 0.0000 | |
| 352 | E | D | 0.0000 | |
| 353 | N | D | 0.0000 | |
| 354 | G | D | 0.0000 | |
| 355 | A | D | 0.0000 | |
| 356 | C | D | 0.0000 | |
| 357 | I | D | 0.0000 | |
| 358 | N | D | -1.4536 | |
| 359 | D | D | -1.7340 | |
| 360 | E | D | -1.1563 | |
| 361 | V | D | 0.0423 | |
| 362 | V | D | 0.5062 | |
| 363 | N | D | -0.7499 | |
| 364 | G | D | -0.6357 | |
| 365 | K | D | -0.8135 | |
| 366 | V | D | 0.0000 | |
| 367 | Q | D | -2.1412 | |
| 368 | D | D | 0.0000 | |
| 369 | D | D | -2.8080 | |
| 370 | R | D | -2.4783 | |
| 371 | R | D | 0.0000 | |
| 372 | I | D | -1.1355 | |
| 373 | S | D | -1.2517 | |
| 374 | Y | D | 0.0000 | |
| 375 | M | D | 0.0000 | |
| 376 | Q | D | -0.7855 | |
| 377 | Q | D | -1.1285 | |
| 378 | H | D | 0.0000 | |
| 379 | L | D | 0.0000 | |
| 380 | V | D | -0.6263 | |
| 381 | Q | D | 0.0000 | |
| 382 | V | D | 0.0000 | |
| 383 | H | D | -1.0801 | |
| 384 | R | D | -1.5100 | |
| 385 | T | D | 0.0000 | |
| 386 | I | D | -1.2770 | |
| 387 | H | D | -2.0797 | |
| 388 | D | D | -2.0785 | |
| 389 | G | D | -1.5854 | |
| 390 | L | D | 0.0000 | |
| 391 | H | D | -1.5816 | |
| 392 | V | D | 0.0000 | |
| 393 | K | D | -1.4377 | |
| 394 | G | D | 0.0000 | |
| 395 | Y | D | 0.0000 | |
| 396 | M | D | 0.0000 | |
| 397 | A | D | 0.0000 | |
| 398 | W | D | 0.0000 | |
| 399 | S | D | 0.0000 | |
| 400 | L | D | 0.0000 | |
| 401 | L | D | 0.0000 | |
| 402 | D | D | 0.0000 | |
| 403 | N | D | 0.0000 | |
| 404 | F | D | 0.0000 | |
| 405 | E | D | 0.0000 | |
| 406 | W | D | 0.0000 | |
| 407 | A | D | -0.2744 | |
| 408 | E | D | -0.7244 | |
| 409 | G | D | 0.0000 | |
| 410 | Y | D | -0.3721 | |
| 411 | N | D | -1.1513 | |
| 412 | M | D | -0.7409 | |
| 413 | R | D | -0.8442 | |
| 414 | F | D | 0.0000 | |
| 415 | G | D | 0.0000 | |
| 416 | M | D | 0.0000 | |
| 417 | I | D | 0.0000 | |
| 418 | H | D | 0.0000 | |
| 419 | V | D | 0.0000 | |
| 420 | D | D | -0.0137 | |
| 421 | F | D | 0.2895 | |
| 422 | R | D | -0.4413 | |
| 423 | T | D | -0.0419 | |
| 424 | Q | D | -0.0712 | |
| 425 | V | D | 1.2225 | |
| 426 | R | D | 0.3271 | |
| 427 | T | D | 0.0385 | |
| 428 | P | D | -0.2249 | |
| 429 | K | D | 0.0000 | |
| 430 | E | D | -1.0456 | |
| 431 | S | D | 0.0000 | |
| 432 | Y | D | 0.0000 | |
| 433 | Y | D | -0.3210 | |
| 434 | W | D | -0.3414 | |
| 435 | Y | D | 0.0000 | |
| 436 | R | D | -1.0666 | |
| 437 | N | D | -0.9013 | |
| 438 | V | D | 0.0000 | |
| 439 | V | D | 0.0000 | |
| 440 | S | D | -0.8507 | |
| 441 | N | D | -0.9315 | |
| 442 | N | D | -1.2348 | |
| 443 | W | D | 0.0000 | |
| 444 | L | D | 0.0000 | |
| 445 | E | D | -1.1131 | |
| 446 | T | D | -1.6447 | |
| 447 | R | D | -2.8895 | |
| 448 | R | D | -2.7543 |
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 | -0.3618 | 3.3427 | View | CSV | PDB |
| 4.5 | -0.4124 | 3.318 | View | CSV | PDB |
| 5.0 | -0.4753 | 3.2911 | View | CSV | PDB |
| 5.5 | -0.5417 | 3.2637 | View | CSV | PDB |
| 6.0 | -0.6028 | 3.2369 | View | CSV | PDB |
| 6.5 | -0.6517 | 3.2122 | View | CSV | PDB |
| 7.0 | -0.6859 | 3.1904 | View | CSV | PDB |
| 7.5 | -0.7092 | 3.1719 | View | CSV | PDB |
| 8.0 | -0.7259 | 3.1579 | View | CSV | PDB |
| 8.5 | -0.7369 | 3.1496 | View | CSV | PDB |
| 9.0 | -0.7405 | 3.1458 | 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