| numb | residue | # | ligand | ID | weight | netcharge | acceptors | donors | logP | trypsin | Gold_Goldscore_Fitness | Experimental | LV1 | LV2 | LV3 | LV4 | LV5 | abs(diff expr-LV1) | abs(diff expr-LV2) | abs(diff expr-LV3) | abs(diff expr-LV4) | abs(diff expr-LV5) | mean | sd |
| 1 | trypsin_bo | 1 | 1 | 159 | 588 | 1 | 3 | 3 | 2.15 | 0.17 | 48.5972 | -9.231 | -10.85 | -9.773 | -9.344 | -9.158 | -9.411 | 1.619 | 0.542 | 0.113 | 0.073 | 0.180 | ||
| 11 | trypsin_bo | 2 | 1 | 160 | 551 | 1 | 2 | 3 | 2.08 | 0.16 | 47.0121 | -9.266 | -9.302 | -8.881 | -9.013 | -9.102 | -9.167 | 0.036 | 0.385 | 0.253 | 0.164 | 0.099 | ||
| 21 | trypsin_bo | 3 | 1 | 161 | 486 | 1 | 2 | 3 | 4.2 | 0.20 | 41.5722 | -9.134 | -8.509 | -7.459 | -6.918 | -7.469 | -7.645 | 0.625 | 1.675 | 2.216 | 1.665 | 1.489 | ||
| 31 | trypsin_bo | 4 | 1 | 162 | 480 | 1 | 2 | 3 | 3.44 | 0.14 | 62.6681 | -9.345 | -9.841 | -8.788 | -8.392 | -8.542 | -8.66 | 0.496 | 0.557 | 0.953 | 0.803 | 0.685 | ||
| 41 | trypsin_bo | 5 | 1 | 163 | 621 | 1 | 3 | 3 | 3.23 | 0.76 | 34.4966 | -8.343 | -10.28 | -10.22 | -10.87 | -11.26 | -12.51 | 1.937 | 1.877 | 2.527 | 2.917 | 4.167 | ||
| 51 | trypsin_bo | 6 | 1 | 164 | 538 | 1 | 3 | 3 | 1.34 | 0.17 | 21.0773 | -9.231 | -9.713 | -9.493 | -9.763 | -10.02 | -10.52 | 0.482 | 0.262 | 0.532 | 0.789 | 1.289 | ||
| 61 | trypsin_bo | 7 | 1 | 165 | 504 | 1 | 3 | 3 | 0 | 0.63 | 57.1474 | -8.455 | -10.8 | -10.21 | -9.942 | -10.39 | -10.76 | 2.345 | 1.755 | 1.487 | 1.935 | 2.305 | ||
| 71 | trypsin_bo | 8 | 1 | 166 | 480 | 1 | 2 | 3 | 3.44 | 0.63 | 56.9391 | -8.455 | -10.93 | -10.68 | -10.91 | -10.61 | -11.17 | 2.475 | 2.225 | 2.455 | 2.155 | 2.715 | ||
| 81 | trypsin_bo | 9 | 1 | 167 | 524 | 1 | 3 | 3 | 2.58 | 0.04 | 71.8781 | -10.15 | -9.058 | -8.653 | -8.893 | -9.465 | -10.08 | 1.092 | 1.497 | 1.257 | 0.685 | 0.070 | ||
| 91 | trypsin_bo | 10 | 1 | 168 | 557 | 0 | 3 | 3 | 2.35 | 0.13 | 65.462 | -9.389 | -9.931 | -10.09 | -10.51 | -11.11 | -12.25 | 0.542 | 0.701 | 1.121 | 1.721 | 2.861 | ||
| 101 | trypsin_bo | 11 | 1 | 169 | 524 | 1 | 3 | 3 | 2.58 | 0.02 | 60.4371 | -10.5 | -9.641 | -9.383 | -9.408 | -9.121 | -9.194 | 0.859 | 1.117 | 1.092 | 1.379 | 1.306 | ||
| 111 | trypsin_bo | 12 | 1 | 170 | 480 | 1 | 2 | 3 | 3.69 | 0.24 | 60.9113 | -9.026 | -9.701 | -9.121 | -9.133 | -9.456 | -10.01 | 0.675 | 0.095 | 0.107 | 0.430 | 0.984 | ||
| 121 | trypsin_bo | 13 | 1 | 171 | 523 | 1 | 4 | 3 | 0 | 0.14 | 51.2388 | -9.345 | -9.947 | -9.057 | -9.013 | -8.698 | -9.038 | 0.602 | 0.288 | 0.332 | 0.647 | 0.307 | ||
| 131 | trypsin_bo | 14 | 1 | 172 | 560 | 1 | 4 | 3 | 1.95 | 0.07 | 60.8427 | -9.723 | -9.877 | -10.57 | -11.07 | -11.27 | -11.42 | 0.154 | 0.847 | 1.347 | 1.547 | 1.697 | ||
| 141 | trypsin_bo | 15 | 1 | 173 | 444 | 1 | 2 | 3 | 2.74 | 0.52 | 62.3892 | -8.568 | -9.763 | -8.837 | -8.611 | -8.737 | -9.009 | 1.195 | 0.269 | 0.043 | 0.169 | 0.441 | ||
| 151 | trypsin_bo | 16 | 1 | 174 | 567 | 1 | 3 | 3 | 1.58 | 1.80 | 36.9319 | -7.833 | -9.571 | -9.108 | -9.284 | -9.117 | -9.349 | 1.738 | 1.275 | 1.451 | 1.284 | 1.516 | ||
| 161 | trypsin_bo | 17 | 1 | 175 | 556 | 1 | 3 | 3 | 5.35 | 0.73 | 25.7595 | -8.368 | -9.683 | -8.774 | -8.496 | -8.284 | -8.636 | 1.315 | 0.406 | 0.128 | 0.084 | 0.268 | ||
| 171 | trypsin_bo | 18 | 1 | 176 | 514 | 1 | 2 | 3 | 3.76 | 0.26 | 63.6973 | -8.978 | -8.792 | -8.535 | -8.617 | -9.191 | -9.512 | 0.186 | 0.443 | 0.361 | 0.213 | 0.534 | ||
| 181 | trypsin_bo | 19 | 1 | 177 | 494 | 1 | 3 | 3 | 2.23 | 0.22 | 63.5429 | -9.078 | -9.384 | -9.21 | -9.675 | -10.13 | -10.65 | 0.306 | 0.132 | 0.597 | 1.052 | 1.572 | ||
| 191 | trypsin_bo | 20 | 1 | 178 | 489 | 1 | 2 | 3 | 3.91 | 0.52 | 77.879 | -8.568 | -7.936 | -6.604 | -6.269 | -6.128 | -6.028 | 0.632 | 1.964 | 2.299 | 2.440 | 2.540 | ||
| 201 | trypsin_bo | 21 | 1 | 179 | 468 | 1 | 3 | 3 | 1.79 | 0.21 | 62.2865 | -9.105 | -9.528 | -8.891 | -8.817 | -9.025 | -9.494 | 0.423 | 0.214 | 0.288 | 0.080 | 0.389 | ||
| 211 | trypsin_bo | 22 | 1 | 180 | 525 | 1 | 4 | 4 | 0.38 | 1.10 | 56.6678 | -8.125 | -9.339 | -9.111 | -9.398 | -9.694 | -10.14 | 1.214 | 0.986 | 1.273 | 1.569 | 2.015 | ||
| 221 | trypsin_bo | 23 | 1 | 181 | 472 | 1 | 2 | 3 | 3.57 | 4.00 | 46.476 | -7.36 | -9.452 | -9.156 | -9.392 | -9.735 | -10.55 | 2.092 | 1.796 | 2.032 | 2.375 | 3.190 | ||
| 231 | trypsin_bo | 24 | 1 | 182 | 466 | 1 | 2 | 3 | 3.24 | 0.33 | 62.3316 | -8.837 | -9.671 | -9.604 | -10.04 | -10.27 | -10.83 | 0.834 | 0.767 | 1.203 | 1.433 | 1.993 | ||
| 241 | trypsin_bo | 25 | 1 | 183 | 556 | 1 | 2 | 3 | 5.55 | 0.69 | -1.2519 | -8.4 | -10.98 | -12.09 | -11.98 | -12.49 | -15.12 | 2.580 | 3.690 | 3.580 | 4.090 | 6.720 | ||
| 251 | trypsin_bo | 26 | 1 | 184 | 502 | 1 | 3 | 3 | 3.7 | 0.78 | 37.2384 | -8.328 | -10.15 | -10.27 | -10.44 | -10.66 | -11.01 | 1.822 | 1.942 | 2.112 | 2.332 | 2.682 | ||
| 261 | trypsin_bo | 27 | 1 | 185 | 538 | 1 | 3 | 3 | 2.51 | 2.20 | 57.2874 | -7.714 | -10.56 | -10.21 | -10.47 | -10.65 | -11.3 | 2.846 | 2.496 | 2.756 | 2.936 | 3.586 | ||
| 271 | trypsin_bo | 28 | 1 | 186 | 441 | 1 | 2 | 3 | 3.48 | 1.40 | 68.3315 | -7.982 | -10.44 | -10.34 | -10.58 | -10.52 | -10.38 | 2.458 | 2.358 | 2.598 | 2.538 | 2.398 | ||
| 281 | trypsin_bo | 29 | 1 | 187 | 555 | 0 | 3 | 3 | 3.75 | 4.50 | 62.5079 | -7.29 | -8.855 | -8.742 | -8.751 | -9.265 | -9.895 | 1.565 | 1.452 | 1.461 | 1.975 | 2.605 | ||
| 291 | trypsin_bo | 30 | 1 | 188 | 514 | 1 | 2 | 3 | 3.64 | 1.50 | 62.7405 | -7.941 | -9.979 | -9.614 | -8.556 | -8.951 | -10.94 | 2.038 | 1.673 | 0.615 | 1.010 | 2.999 | ||
| 301 | trypsin_bo | 31 | 1 | 189 | 454 | 1 | 2 | 4 | 3.04 | 4.00 | 66.3078 | -7.36 | -7.905 | -6.716 | -6.611 | -6.391 | -6.314 | 0.545 | 0.644 | 0.749 | 0.969 | 1.046 | ||
| 311 | trypsin_bo | 32 | 1 | 190 | 524 | 1 | 3 | 3 | 2.58 | 0.39 | 60.878 | -8.738 | -9.026 | -8.183 | -7.922 | -7.719 | -7.928 | 0.288 | 0.555 | 0.816 | 1.019 | 0.810 | ||
| 321 | trypsin_bo | 33 | 1 | 191 | 600 | 1 | 3 | 3 | 4.69 | 0.27 | 16.215 | -8.957 | -8.493 | -8.775 | -9.236 | -9.535 | -10.56 | 0.464 | 0.182 | 0.279 | 0.578 | 1.603 | ||
| 331 | trypsin_bo | 34 | 1 | 192 | 523 | 1 | 3 | 4 | 1.9 | 0.16 | 65.8763 | -9.266 | -10.63 | -10.86 | -10.89 | -11.47 | -14.44 | 1.364 | 1.594 | 1.624 | 2.204 | 5.174 | ||
| 341 | trypsin_bo | 35 | 1 | 193 | 516 | 1 | 3 | 3 | 2.71 | 0.99 | 44.3309 | -8.186 | -8.84 | -8.279 | -8.056 | -7.945 | -8.207 | 0.654 | 0.093 | 0.130 | 0.241 | 0.021 | ||
| 351 | trypsin_bo | 36 | 1 | 194 | 572 | 1 | 3 | 3 | 2.82 | 1.20 | 68.7519 | -8.073 | -9.659 | -8.869 | -9.024 | -9.071 | -9.717 | 1.586 | 0.796 | 0.951 | 0.998 | 1.644 | ||
| 361 | trypsin_bo | 37 | 1 | 195 | 600 | 1 | 3 | 3 | 3.89 | 0.07 | 64.9313 | -9.781 | -10.36 | -9.709 | -9.66 | -9.392 | -9.073 | 0.579 | 0.072 | 0.121 | 0.389 | 0.708 | ||
| 371 | trypsin_bo | 38 | 1 | 196 | 466 | 1 | 2 | 3 | 3.24 | 0.61 | 55.5639 | -8.474 | -9.413 | -8.988 | -9.017 | -9.231 | -9.508 | 0.939 | 0.514 | 0.543 | 0.757 | 1.034 | ||
| 381 | trypsin_bo | 39 | 1 | 197 | 599 | 1 | 3 | 4 | 4 | 0.79 | 1.3045 | -8.32 | -8.737 | -8.353 | -7.737 | -7.537 | -7.568 | 0.417 | 0.033 | 0.583 | 0.783 | 0.752 | ||
| 391 | trypsin_bo | 40 | 1 | 198 | 509 | 0 | 3 | 3 | 1.83 | 0.63 | 59.6243 | -8.455 | -9.457 | -8.436 | -7.67 | -8.048 | -8.298 | 1.002 | 0.019 | 0.785 | 0.407 | 0.157 | ||
| 401 | trypsin_bo | 41 | 1 | 199 | 412 | 1 | 2 | 3 | 2.6 | 2.50 | 69.7715 | -7.638 | -9.367 | -8.732 | -8.882 | -9.036 | -9.245 | 1.729 | 1.094 | 1.244 | 1.398 | 1.607 | ||
| 411 | trypsin_bo | 42 | 1 | 200 | 599 | 1 | 3 | 4 | 3.13 | 0.12 | 59.0422 | -9.436 | -10.69 | -11.27 | -11.11 | -11.73 | -14.13 | 1.254 | 1.834 | 1.674 | 2.294 | 4.694 | ||
| 421 | trypsin_bo | 43 | 1 | 201 | 506 | 1 | 2 | 3 | 3.47 | 1.20 | 64.5131 | -8.073 | -7.459 | -5.627 | -4.425 | -4.168 | -3.359 | 0.614 | 2.446 | 3.648 | 3.905 | 4.714 | ||
| 431 | trypsin_bo | 44 | 1 | 202 | 481 | 1 | 3 | 3 | 2.58 | 3.60 | 57.5174 | -7.423 | -9.346 | -8.462 | -8.307 | -8.534 | -8.828 | 1.923 | 1.039 | 0.884 | 1.111 | 1.405 | ||
| 441 | trypsin_bo | 45 | 1 | 203 | 430 | 1 | 2 | 3 | 2.53 | 1.20 | 59.219 | -8.073 | -9.636 | -8.885 | -8.84 | -9.098 | -9.551 | 1.563 | 0.812 | 0.767 | 1.025 | 1.478 | ||
| 451 | trypsin_bo | 46 | 1 | 204 | 416 | 1 | 2 | 3 | 2.08 | 2.20 | 63.2975 | -7.714 | -8.521 | -7.682 | -7.58 | -7.395 | -7.303 | 0.807 | 0.032 | 0.134 | 0.319 | 0.411 | ||
| 461 | trypsin_bo | 47 | 1 | 205 | 538 | 1 | 3 | 3 | 0 | 2.10 | -35.0147 | -7.742 | -10.78 | -10.7 | -9.59 | -9.985 | -10.85 | 3.038 | 2.958 | 1.848 | 2.243 | 3.108 | ||
| 471 | trypsin_bo | 48 | 1 | 206 | 468 | 2 | 2 | 4 | 1.26 | 0.22 | 64.6542 | -9.078 | -9.364 | -9.074 | -9.238 | -9.547 | -9.7 | 0.286 | 0.004 | 0.160 | 0.469 | 0.622 | ||
| 481 | trypsin_bo | 49 | 1 | 207 | 552 | 1 | 3 | 3 | 3.46 | 0.43 | 68.2788 | -8.681 | -9.367 | -9.975 | -10.38 | -10.63 | -10.71 | 0.686 | 1.294 | 1.699 | 1.949 | 2.029 | ||
| 491 | trypsin_bo | 50 | 1 | 208 | 509 | 0 | 3 | 3 | 2.11 | 0.58 | 61.0676 | -8.504 | -9.454 | -8.803 | -8.504 | -8.745 | -8.945 | 0.950 | 0.299 | 0.000 | 0.241 | 0.441 | ||
| 501 | trypsin_bo | 51 | 1 | 209 | 570 | 1 | 3 | 3 | 2.95 | 1.00 | 67.0848 | -8.181 | -11.19 | -10.66 | -10.14 | -10.38 | -13.86 | 3.009 | 2.479 | 1.959 | 2.199 | 5.679 | ||
| 511 | trypsin_bo | 52 | 1 | 210 | 510 | 1 | 3 | 3 | 1.85 | 8.09 | 76.7777 | -6.943 | -8.475 | -6.923 | -6.399 | -6.184 | -6.031 | 1.532 | 0.020 | 0.544 | 0.759 | 0.912 | ||
| 521 | trypsin_bo | 53 | 1 | 211 | 648 | 1 | 3 | 3 | 4.13 | 1.20 | 74.9784 | -8.073 | -9.667 | -9.555 | -8.884 | -9.271 | -11.94 | 1.594 | 1.482 | 0.811 | 1.198 | 3.867 | ||
| 531 | dummy | 212 | 676 | 1 | 3 | 3 | 5.99 | 0.85 | 6.0382 | -8.073 | -9.667 | -9.555 | -8.884 | -9.271 | -11.94 | 1.594 | 1.482 | 0.811 | 1.198 | 3.867 | ||||
| 541 | trypsin_bo | 55 | 1 | 213 | 509 | 0 | 3 | 3 | 2.11 | 0.44 | 62.5285 | -8.667 | -9.403 | -9.203 | -9.385 | -9.665 | -9.958 | 0.736 | 0.536 | 0.718 | 0.998 | 1.291 | ||
| 551 | trypsin_bo | 56 | 1 | 214 | 404 | 1 | 4 | 3 | 0 | 14.00 | 39.6437 | -6.618 | -9.169 | -8.61 | -8.668 | -8.413 | -8.461 | 2.551 | 1.992 | 2.050 | 1.795 | 1.843 | ||
| 561 | dummy | 215 | 675 | 1 | 3 | 4 | 0 | 0.46 | -17.3815 | -8.073 | -9.667 | -9.555 | -8.884 | -9.271 | -11.94 | 1.594 | 1.482 | 0.811 | 1.198 | 3.867 | ||||
| 571 | trypsin_bo | 58 | 1 | 216 | 592 | 1 | 3 | 3 | 4.48 | 0.08 | 59.3643 | -9.676 | -11.15 | -11.79 | -11.28 | -11.65 | -13.37 | 1.474 | 2.114 | 1.604 | 1.974 | 3.694 | ||
| 581 | trypsin_bo | 59 | 1 | 217 | 523 | 1 | 3 | 4 | 1.62 | 7.91 | 60.8333 | -6.956 | -9.146 | -9.052 | -9.134 | -9.687 | -10.34 | 2.190 | 2.096 | 2.178 | 2.731 | 3.384 | ||
| 591 | trypsin_bo | 60 | 1 | 218 | 495 | 0 | 3 | 3 | 1.38 | 16.00 | 65.9028 | -6.539 | -9.01 | -7.932 | -7.084 | -7.636 | -8.084 | 2.471 | 1.393 | 0.545 | 1.097 | 1.545 | ||
| 601 | trypsin_bo | 61 | 1 | 219 | 599 | 1 | 3 | 4 | 3.13 | 0.27 | 67.6699 | -8.957 | -9.183 | -8.522 | -9.084 | -9.193 | -10.03 | 0.226 | 0.435 | 0.127 | 0.236 | 1.073 | ||
| 611 | trypsin_bo | 62 | 1 | 220 | 488 | 1 | 3 | 4 | 3.82 | 10.12 | 37.8554 | -6.81 | -8.057 | -6.366 | -5.452 | -5.231 | -4.728 | 1.247 | 0.444 | 1.358 | 1.579 | 2.082 | ||
| 621 | trypsin_bo | 63 | 1 | 221 | 411 | 1 | 2 | 4 | 1.92 | 25.00 | 70.256 | -6.275 | -10.62 | -10.1 | -10.02 | -10.12 | -10.43 | 4.345 | 3.825 | 3.745 | 3.845 | 4.155 | ||
| 631 | trypsin_bo | 64 | 1 | 222 | 440 | 1 | 2 | 4 | 2.45 | 16.00 | 71.2297 | -6.539 | -10.16 | -10.26 | -10.73 | -10.63 | -10.79 | 3.621 | 3.721 | 4.191 | 4.091 | 4.251 | ||
| 641 | trypsin_bo | 65 | 1 | 223 | 585 | 0 | 3 | 3 | 4.22 | 2.40 | 11.3925 | -7.663 | -9.355 | -8.547 | -7.956 | -7.65 | -7.583 | 1.692 | 0.884 | 0.293 | 0.013 | 0.080 | ||
| 651 | trypsin_bo | 66 | 1 | 224 | 355 | 2 | 2 | 3 | -2.18 | 28.97 | 43.3665 | -6.187 | -9.058 | -9 | -9.225 | -9.42 | -9.284 | 2.871 | 2.813 | 3.038 | 3.233 | 3.097 | ||
| 661 | trypsin_bo | 67 | 1 | 225 | 550 | 2 | 2 | 4 | 0 | 1.00 | 37.8664 | -8.181 | -9.733 | -9.33 | -9.324 | -8.998 | -9.087 | 1.552 | 1.149 | 1.143 | 0.817 | 0.906 | ||
| 671 | trypsin_bo | 68 | 1 | 226 | 434 | 1 | 3 | 4 | 2.17 | 139.96 | 46.5815 | -5.255 | -9.564 | -9.511 | -9.819 | -9.621 | -9.543 | 4.309 | 4.256 | 4.564 | 4.366 | 4.288 | ||
| 681 | trypsin_bo | 69 | 1 | 227 | 290 | 2 | 2 | 3 | -0.06 | 28.97 | 42.6927 | -6.187 | -8.133 | -7.099 | -6.747 | -6.404 | -5.523 | 1.946 | 0.912 | 0.560 | 0.217 | 0.664 | ||
| 691 | trypsin_bo | 70 | 1 | 228 | 425 | 0 | 3 | 3 | 1.44 | 118.03 | 71.5021 | -5.356 | -9.301 | -7.658 | -6.458 | -6.679 | -6.814 | 3.945 | 2.302 | 1.102 | 1.323 | 1.458 | ||
| 701 | trypsin_bo | 71 | 1 | 229 | 555 | 0 | 3 | 3 | 2.4 | 30.97 | 60.5489 | -6.148 | -11.74 | -12.35 | -12.17 | -13.14 | -16.68 | 5.592 | 6.202 | 6.022 | 6.992 | 10.532 | ||
| 711 | trypsin_bo | 72 | 1 | 230 | 404 | 1 | 2 | 4 | 2.04 | ###### | 49.8201 | -4.09 | -8.457 | -7.893 | -8.079 | -8.134 | -8.403 | 4.367 | 3.803 | 3.989 | 4.044 | 4.313 | ||
| 721 | trypsin_bo | 73 | 1 | 231 | 545 | 1 | 2 | 3 | 1.32 | 0.19 | 60.0869 | -9.164 | -8.882 | -7.645 | -7.017 | -7.105 | -6.988 | 0.282 | 1.519 | 2.147 | 2.059 | 2.176 | ||
| 731 | trypsin_bo | 74 | 1 | 232 | 455 | 1 | 2 | 3 | 3.8 | 0.26 | 70.6528 | -8.978 | -11.23 | -10.3 | -9.731 | -9.664 | -10.07 | 2.252 | 1.322 | 0.753 | 0.686 | 1.092 | ||
| 741 | trypsin_bo | 75 | 1 | 233 | 545 | 1 | 2 | 3 | 1.32 | 0.32 | 56.1796 | -8.856 | -9.152 | -8.644 | -8.817 | -8.624 | -9.064 | 0.296 | 0.212 | 0.039 | 0.232 | 0.208 | ||
| 751 | trypsin_bo | 76 | 1 | 234 | 494 | 1 | 2 | 3 | 4.15 | 0.61 | 62.7218 | -8.474 | -8.559 | -8.493 | -8.675 | -8.963 | -9.252 | 0.085 | 0.019 | 0.201 | 0.489 | 0.778 | ||
| 761 | trypsin_bo | 77 | 1 | 235 | 482 | 2 | 2 | 4 | 0.07 | 1.30 | 56.7543 | -8.025 | -8.881 | -7.798 | -7.555 | -7.314 | -7.557 | 0.856 | 0.227 | 0.470 | 0.711 | 0.468 | ||
| 771 | trypsin_bo | 78 | 1 | 236 | 452 | 1 | 2 | 3 | 2.78 | 0.44 | 67.9304 | -8.667 | -9.678 | -9.432 | -9.745 | -10.04 | -10.58 | 1.011 | 0.765 | 1.078 | 1.373 | 1.913 | ||
| 781 | trypsin_bo | 79 | 1 | 237 | 538 | 1 | 3 | 3 | 0 | 1.90 | -24.3339 | -7.8 | -10.65 | -10.82 | -10.63 | -11.21 | -14.09 | 2.850 | 3.020 | 2.830 | 3.410 | 6.290 | ||
| 791 | trypsin_bo | 80 | 1 | 238 | 432 | 1 | 3 | 3 | 1.08 | 0.71 | 58.2077 | -8.384 | -9.107 | -8.178 | -8.144 | -8.054 | -8.486 | 0.723 | 0.206 | 0.240 | 0.330 | 0.102 | ||
| 801 | trypsin_bo | 81 | 1 | 239 | 523 | 1 | 3 | 4 | 1.9 | 0.31 | 61.1657 | -8.875 | -9.692 | -10.27 | -10.91 | -11.14 | -11.37 | 0.817 | 1.395 | 2.035 | 2.265 | 2.495 | ||
| 811 | trypsin_bo | 82 | 1 | 240 | 621 | 1 | 2 | 3 | 3.43 | 0.98 | 5.7268 | -8.193 | -7.583 | -5.432 | -4.08 | -3.693 | -2.791 | 0.610 | 2.761 | 4.113 | 4.500 | 5.402 | ||
| 821 | trypsin_bo | 83 | 1 | 241 | 600 | 1 | 3 | 3 | 3.89 | 0.16 | 66.5125 | -9.266 | -10.78 | -9.506 | -9.122 | -9.154 | -9.788 | 1.514 | 0.240 | 0.144 | 0.112 | 0.522 | ||
| 831 | trypsin_bo | 84 | 1 | 242 | 543 | 1 | 3 | 3 | 3.49 | 0.03 | 59.1191 | -10.32 | -10.01 | -9.135 | -8.827 | -8.796 | -8.976 | 0.310 | 1.185 | 1.493 | 1.524 | 1.344 | ||
| 841 | trypsin_bo | 85 | 1 | 243 | 538 | 1 | 3 | 3 | 2.51 | 1.80 | 53.7666 | -7.833 | -10.97 | -10.19 | -9.884 | -9.598 | -9.91 | 3.137 | 2.357 | 2.051 | 1.765 | 2.077 | ||
| 851 | trypsin_bo | 86 | 1 | 244 | 552 | 1 | 3 | 3 | 3.46 | 0.02 | 58.81 | -10.41 | -8.937 | -8.515 | -8.754 | -8.633 | -8.873 | 1.473 | 1.895 | 1.656 | 1.777 | 1.537 | ||
| 861 | trypsin_bo | 87 | 1 | 245 | 488 | 1 | 2 | 4 | 4.02 | 26.00 | 11.9125 | -6.251 | -10.09 | -10.55 | -11.28 | -11.85 | -12.61 | 3.839 | 4.299 | 5.029 | 5.599 | 6.359 | ||
| 871 | trypsin_bo | 88 | 1 | 246 | 375 | 1 | 2 | 4 | 1.21 | 46.03 | 66.0263 | -5.913 | -9.144 | -8.37 | -8.346 | -8.556 | -8.964 | 3.231 | 2.457 | 2.433 | 2.643 | 3.051 | ||
| 1.541 | 1.383 | 1.433 | 1.604 | 2.179 | ||||||||||||||||||||
| 1.16500094 | 1.20323626 | 1.2687912 | 1.34278513 | 1.87259735 |