SCORES dslf_ca_dih dslf_cs_ang dslf_ss_dih dslf_ss_dst fa_atr fa_dun fa_pair fa_rep fa_sol hack_elec hbond_bb_sc hbond_lr_bb hbond_sc hbond_sr_bb if_X_dslf_ca_dih if_X_dslf_cs_ang if_X_dslf_ss_dih if_X_dslf_ss_dst if_X_fa_atr if_X_fa_dun if_X_fa_pair if_X_fa_rep if_X_fa_sol if_X_hack_elec if_X_hbond_bb_sc if_X_hbond_lr_bb if_X_hbond_sc if_X_hbond_sr_bb if_X_omega if_X_p_aa_pp if_X_pro_close if_X_ref interface_delta_X ligand_centroid_travel_X ligand_is_touching_X ligand_radius_of_gyration_X ligand_rms_no_super_X ligand_rms_with_super_X omega p_aa_pp pro_close ref total_score
2Q5K_mutant_with_ROC_0001 0 0 0 0 -683.11 151.974 -20.7217 72.6299 303.84 -38.4363 -40.9626 -190.752 -23.8326 -62.5684 0 0 0 0 -18.2866 0 0 0.823728 10.1305 -0.0425502 -0.211395 0 -0.470583 0 0 0 0 0 -8.05694 10.9503 1 5.5172 13.9051 5.14839 37.2087 -37.3315 13.3362 -73.94 -592.666
2Q5K_mutant_with_ROC_0002 0 0 0 0 -691.454 151.219 -17.8113 68.3837 301.582 -35.3334 -45.9124 -192.333 -17.0524 -63.1084 0 0 0 0 -30.1155 0 0 2.38595 11.8782 -0.445628 -0.265926 0 -0.000894001 0 0 0 0 0 -16.5638 3.25534 1 5.5172 10.4699 4.14311 57.9678 -38.1109 12.5771 -73.94 -583.326
2Q5K_mutant_with_ROC_0003 0 0 0 0 -691.006 157.347 -19.6574 74.0028 308.229 -38.2362 -53.1316 -190.165 -23.6404 -65.6842 0 0 0 0 -29.9976 0 0 5.08981 15.9163 -2.16923 -3.8731 0 -3.50988 0 0 0 0 0 -18.5436 1.93558 1 5.5172 10.0338 3.54907 67.2 -35.5522 10.1879 -73.94 -574.047
2Q5K_mutant_with_ROC_0004 0 0 0 0 -694.839 149.726 -18.1656 73.1167 305.508 -37.813 -49.6344 -192.575 -25.544 -65.7344 0 0 0 0 -29.5013 0 0.574576 4.62533 12.3536 -0.279629 -3.0614 0 -0.210541 0 0 0 0 0 -15.4994 2.7537 1 5.5172 10.4937 4.305 36.3238 -35.308 9.67788 -73.94 -619.201
2Q5K_mutant_with_ROC_0005 0 0 0 0 -694.173 143.681 -19.1777 72.2819 306.588 -35.5424 -45.9355 -191.985 -20.1248 -64.2361 0 0 0 0 -28.1254 0 0.22381 3.60251 14.0589 -1.02627 -0.228364 0 -3.55414 0 0 0 0 0 -15.049 2.41995 1 5.5172 9.68415 4.43412 34.3005 -35.3074 9.62173 -73.94 -613.948
2Q5K_mutant_with_ROC_0006 0 0 0 0 -701.493 149.102 -20.6352 76.8835 312.185 -39.5906 -48.6369 -190.962 -28.8409 -65.3886 0 0 0 0 -33.9694 0 0 4.37101 15.0917 -0.728173 -2.58721 0 -0.396666 0 0 0 0 0 -18.2187 4.01358 1 5.5172 9.48353 3.57028 41.838 -36.522 9.53316 -73.94 -616.467
2Q5K_mutant_with_ROC_0007 0 0 0 0 -704.141 151.908 -18.9441 71.5422 315.554 -39.4754 -52.8819 -191.183 -25.1493 -66.5737 0 0 0 0 -34.3601 0 0.827287 3.24877 18.327 -2.16369 -4.52466 0 -4.19927 0 0 0 0 0 -22.8446 1.27308 1 5.5172 9.49561 4.03728 68.9956 -36.2493 3.5135 -73.94 -597.024
2Q5K_mutant_with_ROC_0008 0 0 0 0 -684.393 151.412 -18.4107 71.2749 301.365 -37.2377 -43.1561 -183.73 -22.0196 -64.8025 0 0 0 0 -29.1698 0 0.11357 2.45787 11.0408 -0.138517 -0.295827 0 0 0 0 0 0 0 -15.9919 2.59644 1 5.5172 8.44147 4.61084 56.4795 -33.7406 9.27736 -73.94 -571.621
2Q5K_mutant_with_ROC_0009 0 0 0 0 -693.484 151.689 -18.8035 70.6422 304.538 -37.52 -48.5747 -191.02 -24.0391 -66.6109 0 0 0 0 -28.6993 0 0.575126 2.68066 12.7646 -0.210705 -2.72886 0 -2.52115 0 0 0 0 0 -18.1396 1.11829 1 5.5172 10.6368 1.33541 31.2549 -37.7007 9.8633 -73.94 -623.706
2Q5K_mutant_with_ROC_0010 0 0 0 0 -683.47 150.94 -18.507 72.5911 303.998 -38.4756 -43.9818 -188.181 -25.6502 -62.2118 0 0 0 0 -21.1327 0 0 1.4311 9.58541 -0.237111 -3.78016 0 -0.320933 0 0 0 0 0 -14.4544 10.5252 1 5.5172 13.3558 4.82761 35.7894 -36.7376 10.8982 -73.94 -596.938
2Q5K_mutant_with_ROC_0011 0 0 0 0 -689.333 144.75 -19.6002 65.99 311.335 -39.8426 -46.9869 -196.903 -31.0219 -62.9773 0 0 0 0 -29.7038 0 0 2.33166 15.8444 -0.28758 -2.34048 0 -0.315895 0 0 0 0 0 -14.4717 5.5867 1 5.5172 10.45 4.69722 33.76 -37.5923 9.5656 -73.94 -632.796
2Q5K_mutant_with_ROC_0012 0 0 0 0 -693.057 150.538 -18.9718 69.5822 305.41 -38.6402 -55.5049 -189.928 -24.3171 -62.7479 0 0 0 0 -32.0487 0 0 2.86509 15.4403 -1.23679 -8.68027 0 -0.189311 0 0 0 0 0 -23.8497 1.96231 1 5.5172 10.7532 3.58759 34.0779 -36.2947 3.82569 -73.94 -629.968
2Q5K_mutant_with_ROC_0013 0 0 0 0 -694.722 147.868 -20.0575 69.1823 309.72 -36.5588 -53.4432 -191.995 -21.1333 -65.9681 0 0 0 0 -31.2832 0 0.645057 4.0704 15.1664 -0.75067 -7.31655 0 -0.00438019 0 0 0 0 0 -19.473 5.45684 1 5.5172 11.1224 4.50504 35.5557 -35.0015 9.48119 -73.94 -621.013
2Q5K_mutant_with_ROC_0014 0 0 0 0 -687.492 154.998 -19.2447 72.9745 305.113 -36.4902 -42.653 -189.3 -17.8516 -62.072 0 0 0 0 -22.7439 0 -0.0789315 1.60805 12.0502 -0.732988 -1.76334 0 -1.88713 0 0 0 0 0 -13.548 8.20043 1 5.5172 10.2392 5.41594 36.7739 -32.9094 9.81986 -73.94 -582.274
2Q5K_mutant_with_ROC_0015 0 0 0 0 -692.433 152.649 -19.9198 69.3941 302.859 -37.6069 -47.824 -190.603 -23.0858 -65.2316 0 0 0 0 -29.1755 0 0 3.09971 12.6766 -0.827494 -2.73643 0 -2.87859 0 0 0 0 0 -19.8417 1.38397 1 5.5172 5.40934 3.56419 42.7354 -35.1318 9.61991 -73.94 -608.52
2Q5K_mutant_with_ROC_0016 0 0 0 0 -696.517 148.812 -19.0819 70.2385 307.684 -36.1702 -46.6023 -186.999 -18.7525 -65.0164 0 0 0 0 -35.9294 0 0.65212 3.45427 17.0593 -2.6124 -2.98876 0 -4.01743 0 0 0 0 0 -24.3822 4.54061 1 5.5172 7.03605 2.91846 62.7861 -34.7841 12.9829 -73.94 -575.36
2Q5K_mutant_with_ROC_0017 0 0 0 0 -691.868 149.76 -19.1447 73.0329 307.203 -38.954 -54.5803 -189.207 -23.39 -65.4648 0 0 0 0 -29.7523 0 0 3.6355 15.6153 -1.82422 -5.9515 0 -1.90974 0 0 0 0 0 -20.187 3.27683 1 5.5172 6.12375 2.2946 40.4187 -35.2393 3.55943 -73.94 -617.815
2Q5K_mutant_with_ROC_0018 0 0 0 0 -699.538 146.164 -17.7643 71.6339 311.131 -38.6004 -51.8706 -191.037 -26.3674 -65.6736 0 0 0 0 -30.3593 0 0 2.31189 15.552 -0.9341 -4.69926 0 -4.45675 0 0 0 0 0 -22.5856 2.72471 1 5.5172 5.30772 3.72687 38.0018 -33.995 9.63075 -73.94 -622.225
2Q5K_mutant_with_ROC_0019 0 0 0 0 -702.982 151.837 -17.8904 72.0119 311.898 -40.5904 -46.8635 -192.254 -31.2604 -69.2292 0 0 0 0 -32.774 0 0 2.90847 15.0478 -1.02757 -0.227908 0 -5.15539 0 0 0 0 0 -21.2287 1.11386 1 5.5172 9.54165 3.75409 39.4465 -30.3407 3.51848 -73.94 -626.638
2Q5K_mutant_with_ROC_0020 0 0 0 0 -688.515 152.762 -18.2816 69.3455 303.846 -38.0192 -42.3335 -190.534 -23.4648 -65.4297 0 0 0 0 -24.805 0 0 1.8499 9.77445 -0.272931 -2.58986 0 -0.259999 0 0 0 0 0 -16.3035 6.64934 1 5.5172 8.64129 4.09948 33.1577 -35.8531 13.1182 -73.94 -604.141
2Q5K_mutant_with_ROC_0021 0 0 0 0 -699.658 148.377 -19.0437 73.3562 311.048 -37.4059 -52.4322 -189.91 -22.3378 -65.4032 0 0 0 0 -32.3852 0 0.389222 3.20999 16.3982 -2.50127 -4.96965 0 -2.55153 0 0 0 0 0 -22.4103 1.4956 1 5.5172 10.1437 3.37692 32.7298 -36.9574 10.0051 -73.94 -621.572
2Q5K_mutant_with_ROC_0022 0 0 0 0 -701.506 153.486 -18.0471 67.2292 307.282 -39.2499 -51.8691 -192.646 -25.2326 -65.2001 0 0 0 0 -33.7681 0 0 1.96357 13.9493 -1.85175 -5.26521 0 -3.04848 0 0 0 0 0 -28.0208 1.15325 1 5.5172 10.071 2.49126 55.0392 -38.7323 13.3197 -73.94 -610.067
2Q5K_mutant_with_ROC_0023 0 0 0 0 -686.578 150.083 -18.7079 69.1273 306.197 -36.5073 -49.2753 -180.752 -24.1964 -65.8256 0 0 0 0 -28.3639 0 -0.198719 2.27961 13.7001 -0.686705 -2.01095 0 -2.88292 0 0 0 0 0 -18.1634 3.71547 1 5.5172 10.5717 3.14697 39.7078 -33.9469 9.35969 -73.94 -595.255
2Q5K_mutant_with_ROC_0024 0 0 0 0 -695.968 155.762 -19.8682 68.7792 307.972 -38.3257 -52.6887 -192.492 -20.5188 -63.588 0 0 0 0 -31.403 0 0 2.19269 16.6016 -1.21621 -10.3234 0 -1.00364 0 0 0 0 0 -25.152 4.48487 1 5.5172 10.9157 1.59209 54.1545 -37.3545 9.58 -73.94 -598.495
2Q5K_mutant_with_ROC_0025 0 0 0 0 -694.039 159.729 -18.9372 71.0896 304.624 -39.1861 -49.559 -193.726 -27.0275 -65.5651 0 0 0 0 -29.8203 0 0 3.7685 12.3712 -1.01442 -2.67548 0 -2.43797 0 0 0 0 0 -19.8085 1.46938 1 5.5172 9.87607 3.07909 35.3418 -37.2902 7.07115 -73.94 -621.415
2Q5K_mutant_with_ROC_0026 0 0 0 0 -688.451 152.484 -19.7112 72.4565 303.88 -35.179 -44.5837 -189.805 -17.0343 -62.5531 0 0 0 0 -24.2666 0 0.432832 2.45527 11.5413 -0.0254355 -0.346188 0 -0.307713 0 0 0 0 0 -10.5166 6.35333 1 5.5172 9.66932 3.53831 35.2025 -36.9663 3.44635 -73.94 -600.754
2Q5K_mutant_with_ROC_0027 0 0 0 0 -688.619 156.237 -20.598 73.6858 306.561 -37.5008 -48.1992 -192.391 -25.8426 -66.284 0 0 0 0 -29.0169 0 0 3.9924 13.6444 -0.253229 -0.288384 0 -2.55525 0 0 0 0 0 -14.477 1.41777 1 5.5172 5.49356 4.36 32.8164 -36.3369 9.353 -73.94 -611.058
2Q5K_mutant_with_ROC_0028 0 0 0 0 -700.926 153.075 -20.0438 70.0927 311.311 -40.2945 -50.3892 -193.334 -32.0322 -65.5209 0 0 0 0 -36.4521 0 0 3.49463 17.5974 -1.12059 -4.10178 0 -4.7614 0 0 0 0 0 -25.3438 2.09469 1 5.5172 5.26078 4.40178 50.3427 -34.7515 3.41303 -73.94 -622.996
2Q5K_mutant_with_ROC_0029 0 0 0 0 -698.945 149.418 -19.3031 68.49 305.336 -38.5135 -46.672 -194.45 -23.5797 -65.5794 0 0 0 0 -30.7006 0 0.987768 3.50592 10.7604 0.26008 -0.298547 0 -0.193466 0 0 0 0 0 -15.6785 2.40218 1 5.5172 5.78491 4.4337 47.8928 -37.2301 9.55569 -73.94 -617.521
2Q5K_mutant_with_ROC_0030 0 0 0 0 -692.134 151.27 -19.6956 68.6596 307.069 -40.2389 -46.614 -191.164 -33.9795 -64.8893 0 0 0 0 -32.36 0 0 2.87001 15.8409 -1.03088 -3.27778 0 -2.29016 0 0 0 0 0 -20.2479 7.72816 1 5.5172 9.31048 4.0991 32.5567 -34.6993 9.65573 -73.94 -628.144
2Q5K_mutant_with_ROC_0031 0 0 0 0 -700.417 154.003 -18.95 69.5096 308.661 -38.8149 -48.8219 -193.237 -27.4172 -64.9545 0 0 0 0 -30.7383 0 0.574115 3.28951 13.0972 -0.8586 -3.67525 0 -2.73472 0 0 0 0 0 -21.046 5.22821 1 5.5172 7.66627 4.65642 39.3789 -37.7762 9.47739 -73.94 -623.299
2Q5K_mutant_with_ROC_0032 0 0 0 0 -703.607 148.567 -19.3119 73.8565 315.401 -40.3655 -48.2858 -191.77 -26.5544 -65.0155 0 0 0 0 -35.5339 0 0.0324336 3.18875 19.028 -1.4153 -1.96081 0 -2.90156 0 0 0 0 0 -19.5624 2.4351 1 5.5172 4.42546 1.70208 33.1585 -37.4157 6.97207 -73.94 -628.311
2Q5K_mutant_with_ROC_0033 0 0 0 0 -691.25 156.204 -18.8883 70.429 307.615 -38.5837 -52.8596 -191.872 -24.8274 -65.602 0 0 0 0 -26.3235 0 0 2.16121 13.2047 -0.647109 -5.56281 0 -0.321852 0 0 0 0 0 -17.4893 6.85508 1 5.5172 8.86665 2.43142 48.1412 -35.5512 6.70091 -73.94 -604.285
2Q5K_mutant_with_ROC_0034 0 0 0 0 -697.311 153.022 -19.817 71.6658 307.968 -37.1373 -53.793 -192.945 -20.6789 -63.5466 0 0 0 0 -29.6064 0 -0.443576 3.89217 14.1469 -0.987451 -5.62799 0 -0.105956 0 0 0 0 0 -18.7323 3.77453 1 5.5172 8.99868 4.28477 48.1609 -36.9803 5.57806 -73.94 -609.753
2Q5K_mutant_with_ROC_0035 0 0 0 0 -697.446 148.17 -20.5593 78.0273 307.765 -37.9079 -50.7026 -192.781 -25.5504 -64.7539 0 0 0 0 -27.1806 0 -0.0370313 3.06747 10.7881 -0.15642 -1.96796 0 -0.389585 0 0 0 0 0 -15.876 3.58973 1 5.5172 10.1024 3.34223 35.4742 -34.6212 3.21395 -73.94 -625.612
2Q5K_mutant_with_ROC_0036 0 0 0 0 -690.805 152.446 -19.3374 66.9203 304.325 -37.5343 -44.1699 -191.501 -21.9922 -65.5821 0 0 0 0 -27.5077 0 0 1.87849 11.2085 -0.0585052 -2.07281 0 -0.228746 0 0 0 0 0 -16.7808 6.37405 1 5.5172 7.69022 3.76679 42.8282 -30.984 3.53923 -73.94 -605.787
2Q5K_mutant_with_ROC_0037 0 0 0 0 -698.328 152.309 -18.074 69.8098 310.429 -39.5262 -51.6174 -191.875 -28.3159 -62.7316 0 0 0 0 -32.0801 0 0 2.19937 14.8786 -1.15457 -5.13698 0 -2.71973 0 0 0 0 0 -24.0134 4.46881 1 5.5172 11.5498 3.85876 32.0885 -38.4897 12.8708 -73.94 -625.39
2Q5K_mutant_with_ROC_0038 0 0 0 0 -694.735 149.196 -19.5967 81.4845 311.005 -39.5778 -48.0388 -189.223 -24.893 -65.9124 0 0 0 0 -24.6273 0 0.33803 3.57182 12.3874 -0.0317749 -0.286776 0 0 0 0 0 0 0 -8.64862 3.36554 1 5.5172 5.13065 3.06442 42.286 -34.6056 3.04139 -73.94 -603.509
2Q5K_mutant_with_ROC_0039 0 0 0 0 -696.446 150.755 -19.5441 69.3115 309.586 -37.9745 -49.1196 -191.888 -21.4273 -65.14 0 0 0 0 -29.1153 0 -0.167301 2.27284 13.6133 -0.415293 -0.757698 0 -0.216061 0 0 0 0 0 -14.7856 0.588484 1 5.5172 4.48814 3.87785 44.2617 -34.1742 4.19422 -73.94 -611.545
2Q5K_mutant_with_ROC_0040 0 0 0 0 -693.568 152.598 -19.2294 69.9727 307.813 -38.5857 -48.8389 -190.979 -29.2728 -65.973 0 0 0 0 -30.6113 0 0 3.35133 14.7374 -1.00876 -2.63088 0 -6.09601 0 0 0 0 0 -22.2582 1.6746 1 5.5172 5.53555 3.22434 31.0951 -33.9906 10.131 -73.94 -622.768
2Q5K_mutant_with_ROC_0041 0 0 0 0 -683.026 154.124 -18.1838 72.6976 304.719 -39.1434 -48.6876 -192.222 -29.7357 -65.3823 0 0 0 0 -20.8745 0 0.574017 3.48547 9.74229 -0.0729578 -0.589284 0 -0.383698 0 0 0 0 0 -8.11866 8.65094 1 5.5172 11.4659 3.92198 41.1362 -35.7621 9.69419 -73.94 -603.712
2Q5K_mutant_with_ROC_0042 0 0 0 0 -691.974 153.446 -19.7692 73.1866 306.551 -40.1769 -58.9667 -190.883 -22.8963 -66.689 0 0 0 0 -28.6737 0 0.575925 3.19395 14.0741 -2.11859 -11.6714 0 -0.208899 0 0 0 0 0 -24.8286 2.82127 1 5.5172 4.90476 3.53661 35.2929 -34.5212 7.25002 -73.94 -624.089
2Q5K_mutant_with_ROC_0043 0 0 0 0 -701.626 154.127 -18.901 69.088 308.793 -39.5859 -47.0966 -194.147 -28.6062 -62.498 0 0 0 0 -33.305 0 0.872896 3.98479 14.5079 -1.10811 -0.848409 0 -2.3531 0 0 0 0 0 -18.2491 2.02411 1 5.5172 11.0997 3.86854 38.2962 -36.9941 6.93382 -73.94 -626.157
2Q5K_mutant_with_ROC_0044 0 0 0 0 -694.896 154.107 -20.4316 71.5104 304.879 -39.42 -50.4241 -193.179 -28.5888 -69.0637 0 0 0 0 -30.5875 0 -0.177259 3.5936 9.9637 -0.884618 -5.21382 0 -0.515415 0 0 0 0 0 -23.8213 2.65212 1 5.5172 7.5272 4.9547 45.6197 -33.6945 9.88724 -73.94 -617.635
2Q5K_mutant_with_ROC_0045 0 0 0 0 -701.932 156.95 -19.8654 78.7005 312.715 -38.5722 -54.7702 -191.74 -22.0812 -65.1269 0 0 0 0 -33.3739 0 0 3.13078 17.7358 -0.364321 -2.4904 0 -0.319494 0 0 0 0 0 -15.6816 2.90058 1 5.5172 6.1104 4.45339 37.816 -37.089 6.99263 -73.94 -611.942
2Q5K_mutant_with_ROC_0046 0 0 0 0 -687.572 152.175 -19.2296 69.5591 304.864 -40.5529 -49.3584 -191.159 -28.3547 -65.872 0 0 0 0 -28.9403 0 0.258919 4.89028 11.9294 -2.83275 -2.76311 0 -2.67039 0 0 0 0 0 -20.1279 1.66246 1 5.5172 9.61341 4.18984 39.5547 -32.5442 3.61589 -73.94 -618.814
2Q5K_mutant_with_ROC_0047 0 0 0 0 -697.483 151.377 -18.1491 72.4256 313.619 -39.8522 -56.4666 -192.84 -27.4756 -66.5795 0 0 0 0 -34.2311 0 0.601121 2.98031 18.6665 -1.26026 -8.76597 0 -3.15535 0 0 0 0 0 -25.1647 0.795774 1 5.5172 2.11482 1.9246 49.9974 -36.877 7.28722 -73.94 -614.957
2Q5K_mutant_with_ROC_0048 0 0 0 0 -688.705 154.341 -18.3759 70.1252 304.646 -37.9483 -48.7526 -191.273 -20.6181 -65.4252 0 0 0 0 -24.3501 0 0 2.47361 10.7922 0.0198021 -2.56302 0 -0.157524 0 0 0 0 0 -13.7851 3.17663 1 5.5172 10.4848 4.02304 31.6757 -36.4246 8.87351 -73.94 -611.8
2Q5K_mutant_with_ROC_0049 0 0 0 0 -696.524 147.398 -20.5557 73.4425 305.834 -38.3039 -46.0882 -189.665 -27.38 -63.2081 0 0 0 0 -30.1138 0 0 3.71837 11.9051 -0.400277 -0.257607 0 -2.58186 0 0 0 0 0 -17.73 4.53854 1 5.5172 7.10268 4.4045 48.6129 -36.6288 9.42885 -73.94 -607.578
2Q5K_mutant_with_ROC_0050 0 0 0 0 -692.923 150.225 -19.2296 79.245 309.64 -35.2883 -45.4462 -188.623 -16.7508 -64.269 0 0 0 0 -24.4515 0 0 1.38869 13.0649 -0.0758714 -0.292542 0 -0.743404 0 0 0 0 0 -11.1097 6.13537 1 5.5172 8.86668 4.21611 33.9302 -36.8748 6.77495 -73.94 -593.53
2Q5K_mutant_with_ROC_0051 0 0 0 0 -697.346 156.726 -20.3788 73.2075 311.015 -37.5556 -48.7544 -188.495 -23.847 -65.8492 0 0 0 0 -31.146 0 0 3.27036 16.0038 -0.532492 -2.49435 0 -1.0945 0 0 0 0 0 -15.9931 1.34963 1 5.5172 5.2269 3.79304 62.1446 -34.7105 9.54202 -73.94 -578.242
2Q5K_mutant_with_ROC_0052 0 0 0 0 -697.689 155.339 -21.0725 71.6756 314.104 -39.1929 -53.0495 -192.907 -26.044 -61.5608 0 0 0 0 -32.7345 0 0 3.82034 19.6554 -0.798278 -6.39984 0 -0.425627 0 0 0 0 0 -16.8826 6.78912 1 5.5172 10.8796 5.03034 46.0322 -35.7912 9.85856 -73.94 -604.237
2Q5K_mutant_with_ROC_0053 0 0 0 0 -698.382 149.062 -21.4105 526.86 311.763 -39.3802 -48.3109 -192.933 -24.9578 -66.0678 0 0 0 0 -29.7356 0 0.265943 2.95169 15.5755 -0.955138 -2.83932 0 -2.93848 0 0 0 0 0 -17.6754 0.78563 1 5.5172 9.43 2.28043 36.1034 -35.2748 3.20878 -73.94 -173.66
2Q5K_mutant_with_ROC_0054 0 0 0 0 -703.624 152.347 -20.1838 74.4747 309.856 -38.7003 -48.4297 -195.387 -23.7158 -67.7418 0 0 0 0 -31.9323 0 0 3.33601 14.7607 -0.807512 -2.34079 0 -2.44899 0 0 0 0 0 -19.4329 5.2014 1 5.5172 6.99693 3.98038 41.4758 -38.9862 9.71137 -73.94 -622.844
2Q5K_mutant_with_ROC_0055 0 0 0 0 -689.892 153.595 -18.9344 71.2601 305.485 -38.2958 -48.3512 -190.992 -23.8841 -63.9195 0 0 0 0 -24.7175 0 0 1.69599 11.2975 -0.393032 -1.49132 0 -0.198918 0 0 0 0 0 -13.8073 1.62319 1 5.5172 2.94432 2.54581 49.2391 -35.5479 9.72666 -73.94 -594.452
2Q5K_mutant_with_ROC_0056 0 0 0 0 -686.52 153.251 -19.7522 71.4746 304.256 -38.2276 -46.7832 -192.294 -26.1557 -63.5142 0 0 0 0 -24.5451 0 0.137866 4.13016 11.4301 -1.00611 -0.17799 0 -3.19155 0 0 0 0 0 -13.2226 3.21663 1 5.5172 6.06703 3.24006 36.4058 -36.2379 3.9496 -73.94 -614.088
2Q5K_mutant_with_ROC_0057 0 0 0 0 -696.429 146.323 -20.5973 68.2174 310.721 -37.1063 -45.7657 -193.132 -27.1562 -66.1055 0 0 0 0 -32.5869 0 -0.190591 2.44521 17.165 -1.2328 -0.688237 0 -5.701 0 0 0 0 0 -20.7893 2.04223 1 5.5172 10.9659 2.27249 33.7126 -37.1674 9.40205 -73.94 -629.023
2Q5K_mutant_with_ROC_0058 0 0 0 0 -694.67 155.552 -17.9961 79.9582 306.143 -37.8528 -51.49 -189.441 -24.9595 -66.69 0 0 0 0 -23.3433 0 0.493953 1.03596 9.68001 -1.49934 -2.80841 0 -5.19274 0 0 0 0 0 -21.6339 6.25311 1 5.5172 9.91011 4.72888 35.8679 -38.3354 12.6332 -73.94 -605.219
2Q5K_mutant_with_ROC_0059 0 0 0 0 -698.817 151.725 -17.4774 73.3612 307.4 -39.8859 -51.0409 -191.507 -29.5928 -64.942 0 0 0 0 -30.4375 0 0.46949 2.35083 11.5706 -1.25443 -4.31533 0 -2.48874 0 0 0 0 0 -24.1051 4.01637 1 5.5172 6.29962 3.99487 48.2852 -35.5036 3.38572 -73.94 -618.55
2Q5K_mutant_with_ROC_0060 0 0 0 0 -700.185 151.075 -19.4382 71.2311 310 -40.7157 -52.1734 -191.554 -28.4991 -64.1168 0 0 0 0 -31.4808 0 0 2.37802 13.965 -1.11385 -5.2788 0 -2.85159 0 0 0 0 0 -24.3821 4.57948 1 5.5172 11.5797 3.88299 44.7912 -37.2815 6.99083 -73.94 -623.816
2Q5K_mutant_with_ROC_0061 0 0 0 0 -694.659 155.107 -19.2656 72.7452 304.582 -37.2582 -49.5165 -191.306 -21.7995 -65.6736 0 0 0 0 -28.4099 0 0.749934 2.80432 12.0918 -0.289412 -2.51416 0 -0.172519 0 0 0 0 0 -15.74 0.842434 1 5.5172 10.743 1.49813 38.7887 -38.6174 3.86117 -73.94 -616.951
2Q5K_mutant_with_ROC_0062 0 0 0 0 -696.071 152.486 -19.706 71.6507 306.661 -40.3606 -45.9475 -192.438 -25.841 -63.9838 0 0 0 0 -30.2972 0 0 2.42205 12.4271 -1.60956 -5.03524 0 -1.458 0 0 0 0 0 -23.5509 7.44199 1 5.5172 9.79976 3.68461 33.1472 -35.2993 7.03249 -73.94 -622.61
2Q5K_mutant_with_ROC_0063 0 0 0 0 -702.466 147.078 -19.9242 71.9091 310.865 -40.8338 -52.7954 -189.037 -25.5029 -68.1684 0 0 0 0 -29.3306 0 0 2.78931 14.4948 -2.57897 -6.67101 0 -5.70663 0 0 0 0 0 -27.0031 1.28739 1 5.5172 4.66124 3.69478 35.9582 -34.4962 6.91627 -73.94 -634.438
2Q5K_mutant_with_ROC_0064 0 0 0 0 -693.452 147.375 -20.31 75.1104 303.756 -38.6772 -47.6947 -191.017 -25.4411 -63.1379 0 0 0 0 -32.0199 0 -0.377524 5.9795 12.552 -0.969015 -1.15534 0 -2.07483 0 0 0 0 0 -18.0651 2.94651 1 5.5172 9.09478 3.32408 37.913 -35.4619 9.2988 -73.94 -615.679
2Q5K_mutant_with_ROC_0065 0 0 0 0 -698.168 150.739 -19.6219 72.8331 309.212 -37.7695 -51.1038 -189.723 -20.5124 -65.6028 0 0 0 0 -27.9576 0 -0.176108 2.18946 13.0123 -0.385339 -2.30411 0 -0.145563 0 0 0 0 0 -15.7669 1.00868 1 5.5172 10.0538 3.85063 46.3735 -36.7211 7.22928 -73.94 -606.775
2Q5K_mutant_with_ROC_0066 0 0 0 0 -691.151 146.48 -19.6549 70.0621 304.196 -38.4025 -49.5616 -190.225 -26.4801 -66.2977 0 0 0 0 -27.412 0 0 1.63041 12.4488 -1.28799 -2.65325 0 -5.80579 0 0 0 0 0 -23.0798 1.36551 1 5.5172 4.35945 3.8155 32.6773 -36.3071 6.68897 -73.94 -631.915
2Q5K_mutant_with_ROC_0067 0 0 0 0 -704.024 152.189 -17.3021 66.4323 311.46 -37.2043 -48.2255 -193.331 -23.3401 -63.0834 0 0 0 0 -35.3011 0 0 2.60303 14.5162 -0.391249 -0.402941 0 -2.59424 0 0 0 0 0 -21.5703 0.391536 1 5.5172 9.19977 2.52286 35.9916 -38.5716 6.84066 -73.94 -626.109
2Q5K_mutant_with_ROC_0068 0 0 0 0 -687.65 153.039 -17.744 71.7426 303.94 -39.4437 -48.6523 -191.894 -23.3568 -62.1945 0 0 0 0 -25.1797 0 0.652368 2.63509 12.3908 -1.66913 -4.56731 0 -2.4078 0 0 0 0 0 -18.1457 5.85299 1 5.5172 7.64203 4.05291 32.4101 -35.7463 9.8275 -73.94 -609.662
2Q5K_mutant_with_ROC_0069 0 0 0 0 -698.618 155.251 -17.1406 75.2112 308.345 -39.6967 -54.3728 -189.866 -28.8415 -66.1852 0 0 0 0 -29.2054 0 0 2.88827 12.1404 -1.32462 -4.50617 0 -2.50273 0 0 0 0 0 -22.5102 1.55378 1 5.5172 4.87253 3.87186 39.069 -32.1392 4.22978 -73.94 -618.693
2Q5K_mutant_with_ROC_0070 0 0 0 0 -696.35 149.896 -19.7296 69.107 307.104 -40.1132 -45.971 -191.588 -30.2846 -65.1595 0 0 0 0 -35.6444 0 0.625834 3.98783 15.0429 -0.652311 -2.34857 0 -2.76603 0 0 0 0 0 -21.7547 4.43868 1 5.5172 11.3193 4.34838 35.2574 -36.4211 8.21991 -73.94 -629.973
2Q5K_mutant_with_ROC_0071 0 0 0 0 -698.764 154.473 -20.6824 547.864 310.077 -39.4974 -55.7221 -190.783 -21.7063 -66.896 0 0 0 0 -29.4645 0 0 3.10861 13.931 -0.93311 -7.57318 0 -0.0376852 0 0 0 0 0 -20.9689 1.47781 1 5.5172 3.10297 2.25898 38.345 -37.2702 7.34048 -73.94 -147.163
2Q5K_mutant_with_ROC_0072 0 0 0 0 -693.137 150.942 -20.4476 73.0829 305.362 -37.8923 -45.0649 -188.843 -26.0358 -66.1442 0 0 0 0 -32.8639 0 0.234048 4.18752 12.3951 -0.12631 -0.243541 0 -2.4222 0 0 0 0 0 -18.8393 2.94024 1 5.5172 6.21258 4.52769 97.5173 -35.8193 10.0673 -73.94 -550.353
2Q5K_mutant_with_ROC_0073 0 0 0 0 -687.313 156.522 -19.8331 67.3238 303.079 -33.9713 -43.8652 -188.741 -13.6984 -63.1551 0 0 0 0 -26.3863 0 0 1.78509 13.874 -0.0994997 -0.0782271 0 -0.77706 0 0 0 0 0 -11.6821 6.33081 1 5.5172 8.90096 4.37992 48.2748 -36.3117 9.28492 -73.94 -576.344
2Q5K_mutant_with_ROC_0074 0 0 0 0 -688.791 145.041 -17.5225 71.3469 302.906 -37.6092 -49.0315 -192.472 -22.8058 -68.7306 0 0 0 0 -27.9147 0 0.408706 1.6468 11.6647 -0.587745 -2.97801 0 -0.171389 0 0 0 0 0 -17.9316 3.00612 1 5.5172 10.1138 3.62248 47.5718 -38.6944 9.9434 -73.94 -612.788
2Q5K_mutant_with_ROC_0075 0 0 0 0 -695.897 148.039 -18.9078 75.1896 309.685 -36.7444 -54.4867 -187.753 -21.431 -63.235 0 0 0 0 -32.4051 0 0 3.16488 16.7667 -0.821637 -9.0931 0 -0.133458 0 0 0 0 0 -22.5216 1.38598 1 5.5172 10.3991 3.41613 35.0318 -36.6342 9.9143 -73.94 -611.169
2Q5K_mutant_with_ROC_0076 0 0 0 0 -697.028 150.535 -19.9966 75.4659 308.689 -39.5927 -49.6777 -192.109 -25.8027 -63.4608 0 0 0 0 -29.4803 0 -0.213936 2.88254 12.5855 -0.501112 -0.796229 0 -2.53187 0 0 0 0 0 -18.0554 5.58311 1 5.5172 9.6267 4.79731 33.4445 -34.4572 4.3405 -73.94 -623.59
2Q5K_mutant_with_ROC_0077 0 0 0 0 -694.605 144.548 -17.2739 71.2871 308.82 -38.7168 -47.3753 -191.602 -30.7793 -65.2755 0 0 0 0 -29.8288 0 0 2.99066 14.579 -0.596012 -0.18805 0 -3.03916 0 0 0 0 0 -16.0824 2.53654 1 5.5172 10.8304 2.1764 36.659 -37.609 9.61195 -73.94 -626.252
2Q5K_mutant_with_ROC_0078 0 0 0 0 -696.004 150.695 -18.1579 70.4436 309.06 -38.6311 -49.6139 -191.699 -25.1558 -63.904 0 0 0 0 -33.4616 0 0.576733 3.12985 15.5018 -0.143409 -3.13774 0 -1.12696 0 0 0 0 0 -18.6612 2.11105 1 5.5172 10.5203 2.74583 37.54 -35.1558 9.67614 -73.94 -614.847
2Q5K_mutant_with_ROC_0079 0 0 0 0 -694.611 146.612 -20.1082 75.2641 308.968 -37.4016 -49.1939 -190.456 -21.9253 -65.8313 0 0 0 0 -29.5389 0 0.284957 4.03092 13.7042 -0.663872 -2.34055 0 -2.72774 0 0 0 0 0 -17.2511 0.269982 1 5.5172 1.64039 1.57624 38.6014 -34.3327 7.1947 -73.94 -611.16
2Q5K_mutant_with_ROC_0080 0 0 0 0 -693.367 153.501 -20.8249 70.8546 307.627 -39.1876 -51.7826 -189.496 -30.5237 -61.8766 0 0 0 0 -31.2784 0 0 3.17674 15.157 -1.05934 -2.57719 0 -2.57875 0 0 0 0 0 -19.16 1.1489 1 5.5172 5.76415 4.19057 76.3051 -36.2593 3.32248 -73.94 -585.647
2Q5K_mutant_with_ROC_0081 0 0 0 0 -694.494 150.811 -19.3201 71.216 310.072 -38.0696 -54.1616 -193.603 -24.0477 -63.1474 0 0 0 0 -30.7896 0 0 4.17861 13.6722 -0.953237 -7.5788 0 -0.258289 0 0 0 0 0 -21.7291 4.35297 1 5.5172 6.37923 3.86838 39.3936 -36.4367 9.51246 -73.94 -616.214
2Q5K_mutant_with_ROC_0082 0 0 0 0 -701.859 147.033 -18.4768 70.6763 311.249 -38.2323 -54.4573 -191.325 -23.1337 -65.7167 0 0 0 0 -35.6313 0 0 2.22065 18.2459 -1.38138 -8.64535 0 -1.53774 0 0 0 0 0 -26.7293 1.84069 1 5.5172 4.94527 3.9611 31.7006 -37.7442 9.56847 -73.94 -634.657
2Q5K_mutant_with_ROC_0083 0 0 0 0 -688.695 153.762 -18.313 65.4821 305.037 -37.4891 -47.0019 -190.06 -25.323 -63.4416 0 0 0 0 -24.9271 0 0.82343 1.26972 11.8321 -0.179458 -0.177869 0 -0.283762 0 0 0 0 0 -11.643 6.0515 1 5.5172 7.1391 3.46869 47.3467 -36.4139 3.90254 -73.94 -605.146
2Q5K_mutant_with_ROC_0084 0 0 0 0 -684.463 152.681 -20.0657 69.2777 302.306 -38.2362 -49.045 -190.412 -21.59 -66.266 0 0 0 0 -27.3682 0 0 4.35579 9.0317 -0.767004 -2.67042 0 0 0 0 0 0 0 -17.4181 3.29159 1 5.5172 5.9989 3.43696 39.5446 -36.7902 9.79426 -73.94 -607.204
2Q5K_mutant_with_ROC_0085 0 0 0 0 -692.84 158.71 -17.736 68.2653 304.262 -35.6233 -46.5498 -189.334 -21.4322 -62.6751 0 0 0 0 -30.4733 0 0 2.18629 15.2682 -0.64944 -2.04975 0 -4.16133 0 0 0 0 0 -19.8794 4.70107 1 5.5172 10.6272 2.95988 39.1015 -36.6018 9.477 -73.94 -596.917
2Q5K_mutant_with_ROC_0086 0 0 0 0 -692.348 150.086 -19.9723 72.5524 308.83 -37.2081 -51.1291 -190.86 -21.4606 -64.8167 0 0 0 0 -27.4492 0 0 1.80015 14.058 -0.663372 -5.53915 0 -0.273035 0 0 0 0 0 -18.0665 5.17384 1 5.5172 11.0456 2.09894 59.4547 -34.432 9.56912 -73.94 -585.676
2Q5K_mutant_with_ROC_0087 0 0 0 0 -687.679 150.983 -18.7335 73.6065 302.704 -37.6386 -47.9792 -190.416 -23.0854 -63.5507 0 0 0 0 -23.8131 0 0 2.04578 9.7776 -0.0865409 -0.186218 0 -0.202567 0 0 0 0 0 -12.465 1.35759 1 5.5172 3.38688 3.03336 38.7599 -36.3722 13.2593 -73.94 -600.081
2Q5K_mutant_with_ROC_0088 0 0 0 0 -688.952 150.471 -18.6541 70.6983 303.705 -36.7528 -45.3553 -190.844 -22.2188 -65.1282 0 0 0 0 -28.2814 0 0.840934 3.1158 12.0023 -0.402167 -2.85694 0 -0.190072 0 0 0 0 0 -15.7716 1.59034 1 5.5172 10.5598 3.9483 39.5896 -38.3279 3.40616 -73.94 -612.304
2Q5K_mutant_with_ROC_0089 0 0 0 0 -699.284 154.004 -18.8716 74.0395 309.142 -39.9768 -61.5291 -191.964 -28.2294 -62.6887 0 0 0 0 -31.914 0 0.848351 4.35 15.164 -1.68338 -12.8306 0 -0.365118 0 0 0 0 0 -26.4308 3.41097 1 5.5172 10.2616 4.65472 43.1048 -39.2961 10.3955 -73.94 -625.095
2Q5K_mutant_with_ROC_0090 0 0 0 0 -691.656 153.21 -19.1245 70.4602 308.314 -38.8638 -49.8476 -195.08 -29.4923 -65.3068 0 0 0 0 -28.1138 0 0 2.66084 13.9921 -1.14951 -2.12811 0 -4.67378 0 0 0 0 0 -19.4123 3.44093 1 5.5172 6.62356 3.62552 31.6598 -37.3403 5.38013 -73.94 -631.626
2Q5K_mutant_with_ROC_0091 0 0 0 0 -698.758 153.168 -21.4862 73.2866 309.941 -38.7527 -54.2079 -194.691 -26.2254 -65.6082 0 0 0 0 -35.0288 0 0 4.87245 15.2269 -0.510625 -5.79212 0 -0.53391 0 0 0 0 0 -21.7661 2.34233 1 5.5172 5.39642 4.08237 31.58 -36.1177 10.1614 -73.94 -631.65
2Q5K_mutant_with_ROC_0092 0 0 0 0 -695.662 150.582 -20.4763 68.9839 310.889 -39.2921 -51.512 -188.617 -26.155 -65.3022 0 0 0 0 -30.4605 0 0 1.6101 16.3094 -0.535789 -4.16695 0 -2.78982 0 0 0 0 0 -20.0335 1.43476 1 5.5172 10.092 3.71088 38.2249 -34.6388 3.51967 -73.94 -623.396
2Q5K_mutant_with_ROC_0093 0 0 0 0 -695.974 153.663 -19.2956 70.65 305.729 -37.799 -49.2733 -189.577 -24.2606 -65.0648 0 0 0 0 -27.0824 0 0 3.09038 11.2141 -0.483687 -1.93798 0 -0.217746 0 0 0 0 0 -15.4173 3.25999 1 5.5172 10.5633 3.00915 40.026 -35.6762 9.94979 -73.94 -610.843
2Q5K_mutant_with_ROC_0094 0 0 0 0 -690.765 154.123 -18.9943 74.8134 304.752 -38.0537 -38.5133 -186.503 -27.8355 -63.0923 0 0 0 0 -23.6707 0 0 1.93364 10.0991 -0.106655 -0.110538 0 -2.65028 0 0 0 0 0 -14.5054 5.7472 1 5.5172 11.1356 3.4228 77.6966 -34.4892 6.7807 -73.94 -554.02
2Q5K_mutant_with_ROC_0095 0 0 0 0 -692.974 161.922 -18.0396 72.512 303.807 -37.9133 -49.3583 -190.649 -22.3693 -59.4504 0 0 0 0 -31.4593 0 -0.209026 3.35796 12.9629 -0.853469 -2.73928 0 -0.198415 0 0 0 0 0 -19.1386 2.80857 1 5.5172 5.73008 4.04592 60.3291 -36.0078 9.82654 -73.94 -572.305
2Q5K_mutant_with_ROC_0096 0 0 0 0 -687.851 142.811 -19.2178 69.4918 307.916 -39.1778 -50.3833 -191.814 -26.9577 -65.1262 0 0 0 0 -29.0096 0 0 2.50294 13.5453 -0.352326 -2.45217 0 -0.183746 0 0 0 0 0 -15.9497 0.916395 1 5.5172 10.7469 1.57497 33.1949 -36.4144 9.91225 -73.94 -627.557
2Q5K_mutant_with_ROC_0097 0 0 0 0 -692.031 155.38 -18.0674 73.4437 309.396 -39.4782 -53.378 -190.65 -26.0564 -64.9542 0 0 0 0 -27.7374 0 0 2.06013 15.635 -0.667872 -6.26135 0 -0.200832 0 0 0 0 0 -17.1724 2.62573 1 5.5172 11.0947 2.73032 37.2436 -35.8456 9.46177 -73.94 -609.476
2Q5K_mutant_with_ROC_0098 0 0 0 0 -690.855 149.86 -19.2981 70.6084 303.348 -40.2674 -48.2221 -193.503 -28.8829 -64.5041 0 0 0 0 -26.8226 0 0 2.34273 10.3863 -0.633255 -0.217666 0 -2.90688 0 0 0 0 0 -17.8514 0.631329 1 5.5172 7.95604 5.33233 38.3496 -37.6228 6.76872 -73.94 -628.162
2Q5K_mutant_with_ROC_0099 0 0 0 0 -698.924 157.228 -20.355 70.844 312.591 -37.1933 -48.3852 -192.187 -22.8316 -63.2858 0 0 0 0 -29.8894 0 0 3.28973 15.3382 -0.563697 -2.49818 0 -1.22763 0 0 0 0 0 -15.5509 1.55876 1 5.5172 5.39823 3.85483 38.0559 -38.5248 9.62435 -73.94 -607.284
2Q5K_mutant_with_ROC_0100 0 0 0 0 -705.392 148.194 -18.4228 73.2445 314.074 -39.3588 -51.4205 -191.741 -33.5099 -66.0621 0 0 0 0 -33.0209 0 0 4.0562 15.8186 -1.23526 -5.50502 0 -5.38641 0 0 0 0 0 -25.2728 1.80481 1 5.5172 5.74855 4.44093 56.8281 -36.9227 3.54101 -73.94 -620.888
