COMPLEX: Round1: WT: 557.619 fa_atr: -1047.349 fa_rep: 89.290 fa_sol: 420.986 fa_intra_rep: 1.522 fa_pair: -10.521 hbond_sr_bb: -42.436 hbond_lr_bb: -11.635 hbond_bb_sc: -11.707 hbond_sc: -7.560 dslf_ss_dst: -3.695 dslf_cs_ang: 0.856 dslf_ss_dih: 1.675 dslf_ca_dih: 0.714 rama: -18.768 omega: 5.227 fa_dun: 150.789 p_aa_pp: -9.789 ref: -28.140 cart_bonded: 1078.160 COMPLEX: Round2: WT: 555.428 fa_atr: -1039.269 fa_rep: 86.713 fa_sol: 416.764 fa_intra_rep: 1.540 fa_pair: -10.897 hbond_sr_bb: -42.447 hbond_lr_bb: -11.534 hbond_bb_sc: -11.032 hbond_sc: -11.379 dslf_ss_dst: -3.695 dslf_cs_ang: 0.838 dslf_ss_dih: 1.676 dslf_ca_dih: 0.714 rama: -18.208 omega: 4.696 fa_dun: 152.449 p_aa_pp: -9.962 ref: -28.140 cart_bonded: 1076.600 COMPLEX: Round3: WT: 554.450 fa_atr: -1047.343 fa_rep: 88.716 fa_sol: 423.156 fa_intra_rep: 1.558 fa_pair: -10.725 hbond_sr_bb: -42.510 hbond_lr_bb: -11.662 hbond_bb_sc: -12.094 hbond_sc: -13.592 dslf_ss_dst: -3.695 dslf_cs_ang: 0.856 dslf_ss_dih: 1.674 dslf_ca_dih: 0.714 rama: -18.518 omega: 5.177 fa_dun: 152.016 p_aa_pp: -9.714 ref: -28.140 cart_bonded: 1078.578 COMPLEX: Round1: MUT_8GLN: 556.522 fa_atr: -1050.482 fa_rep: 89.410 fa_sol: 423.026 fa_intra_rep: 1.522 fa_pair: -10.574 hbond_sr_bb: -42.108 hbond_lr_bb: -11.673 hbond_bb_sc: -11.430 hbond_sc: -10.854 dslf_ss_dst: -3.693 dslf_cs_ang: 0.888 dslf_ss_dih: 1.700 dslf_ca_dih: 0.715 rama: -18.719 omega: 5.160 fa_dun: 153.647 p_aa_pp: -9.737 ref: -28.130 cart_bonded: 1077.853 COMPLEX: Round2: MUT_8GLN: 555.738 fa_atr: -1039.478 fa_rep: 86.029 fa_sol: 419.469 fa_intra_rep: 1.512 fa_pair: -10.759 hbond_sr_bb: -42.543 hbond_lr_bb: -11.656 hbond_bb_sc: -11.052 hbond_sc: -10.982 dslf_ss_dst: -3.681 dslf_cs_ang: 0.897 dslf_ss_dih: 1.699 dslf_ca_dih: 0.715 rama: -18.430 omega: 5.012 fa_dun: 150.041 p_aa_pp: -9.668 ref: -28.130 cart_bonded: 1076.742 COMPLEX: Round3: MUT_8GLN: 554.921 fa_atr: -1046.812 fa_rep: 88.037 fa_sol: 422.059 fa_intra_rep: 1.546 fa_pair: -10.148 hbond_sr_bb: -42.151 hbond_lr_bb: -11.666 hbond_bb_sc: -11.412 hbond_sc: -13.782 dslf_ss_dst: -3.694 dslf_cs_ang: 0.898 dslf_ss_dih: 1.720 dslf_ca_dih: 0.715 rama: -18.505 omega: 5.109 fa_dun: 153.099 p_aa_pp: -9.699 ref: -28.130 cart_bonded: 1077.736 COMPLEX: Round1: MUT_10LYS: 555.691 fa_atr: -1042.323 fa_rep: 87.017 fa_sol: 419.991 fa_intra_rep: 1.515 fa_pair: -10.840 hbond_sr_bb: -42.584 hbond_lr_bb: -11.639 hbond_bb_sc: -11.050 hbond_sc: -8.808 dslf_ss_dst: -3.695 dslf_cs_ang: 0.937 dslf_ss_dih: 1.742 dslf_ca_dih: 0.716 rama: -18.479 omega: 4.987 fa_dun: 148.379 p_aa_pp: -9.695 ref: -27.980 cart_bonded: 1077.500 COMPLEX: Round2: MUT_10LYS: 555.038 fa_atr: -1039.913 fa_rep: 86.484 fa_sol: 418.383 fa_intra_rep: 1.542 fa_pair: -10.804 hbond_sr_bb: -42.455 hbond_lr_bb: -11.614 hbond_bb_sc: -11.052 hbond_sc: -11.685 dslf_ss_dst: -3.696 dslf_cs_ang: 0.863 dslf_ss_dih: 1.689 dslf_ca_dih: 0.714 rama: -18.556 omega: 5.183 fa_dun: 150.759 p_aa_pp: -9.801 ref: -27.980 cart_bonded: 1076.977 COMPLEX: Round3: MUT_10LYS: 555.249 fa_atr: -1046.274 fa_rep: 88.834 fa_sol: 418.839 fa_intra_rep: 1.512 fa_pair: -10.010 hbond_sr_bb: -42.202 hbond_lr_bb: -11.643 hbond_bb_sc: -11.015 hbond_sc: -10.537 dslf_ss_dst: -3.695 dslf_cs_ang: 0.937 dslf_ss_dih: 1.740 dslf_ca_dih: 0.716 rama: -18.781 omega: 5.096 fa_dun: 152.167 p_aa_pp: -9.808 ref: -27.980 cart_bonded: 1077.353 COMPLEX: Round1: MUT_16LYS: 553.640 fa_atr: -1046.026 fa_rep: 88.212 fa_sol: 419.891 fa_intra_rep: 1.528 fa_pair: -10.843 hbond_sr_bb: -42.516 hbond_lr_bb: -11.628 hbond_bb_sc: -11.635 hbond_sc: -10.563 dslf_ss_dst: -3.695 dslf_cs_ang: 0.856 dslf_ss_dih: 1.675 dslf_ca_dih: 0.714 rama: -18.540 omega: 5.180 fa_dun: 150.562 p_aa_pp: -9.690 ref: -27.980 cart_bonded: 1078.137 COMPLEX: Round2: MUT_16LYS: 553.804 fa_atr: -1051.434 fa_rep: 88.894 fa_sol: 422.765 fa_intra_rep: 1.548 fa_pair: -10.931 hbond_sr_bb: -42.331 hbond_lr_bb: -11.649 hbond_bb_sc: -11.036 hbond_sc: -11.536 dslf_ss_dst: -3.695 dslf_cs_ang: 0.854 dslf_ss_dih: 1.670 dslf_ca_dih: 0.714 rama: -18.692 omega: 5.148 fa_dun: 153.463 p_aa_pp: -9.741 ref: -27.980 cart_bonded: 1077.776 COMPLEX: Round3: MUT_16LYS: 552.329 fa_atr: -1047.020 fa_rep: 88.146 fa_sol: 421.084 fa_intra_rep: 1.549 fa_pair: -10.437 hbond_sr_bb: -42.331 hbond_lr_bb: -11.645 hbond_bb_sc: -11.433 hbond_sc: -14.160 dslf_ss_dst: -3.695 dslf_cs_ang: 0.856 dslf_ss_dih: 1.674 dslf_ca_dih: 0.714 rama: -18.447 omega: 5.112 fa_dun: 152.351 p_aa_pp: -9.670 ref: -27.980 cart_bonded: 1077.660 COMPLEX: Round1: MUT_25LYS: 556.366 fa_atr: -1042.480 fa_rep: 87.583 fa_sol: 419.379 fa_intra_rep: 1.542 fa_pair: -11.037 hbond_sr_bb: -42.488 hbond_lr_bb: -11.644 hbond_bb_sc: -11.055 hbond_sc: -10.199 dslf_ss_dst: -3.695 dslf_cs_ang: 0.856 dslf_ss_dih: 1.673 dslf_ca_dih: 0.714 rama: -18.496 omega: 5.097 fa_dun: 150.712 p_aa_pp: -9.692 ref: -27.810 cart_bonded: 1077.406 COMPLEX: Round2: MUT_25LYS: 556.270 fa_atr: -1041.286 fa_rep: 87.354 fa_sol: 418.549 fa_intra_rep: 1.514 fa_pair: -11.121 hbond_sr_bb: -42.512 hbond_lr_bb: -11.628 hbond_bb_sc: -11.055 hbond_sc: -9.473 dslf_ss_dst: -3.695 dslf_cs_ang: 0.857 dslf_ss_dih: 1.675 dslf_ca_dih: 0.714 rama: -18.474 omega: 5.151 fa_dun: 149.945 p_aa_pp: -9.717 ref: -27.810 cart_bonded: 1077.282 COMPLEX: Round3: MUT_25LYS: 556.218 fa_atr: -1041.174 fa_rep: 87.405 fa_sol: 418.707 fa_intra_rep: 1.535 fa_pair: -10.864 hbond_sr_bb: -42.481 hbond_lr_bb: -11.533 hbond_bb_sc: -11.052 hbond_sc: -11.713 dslf_ss_dst: -3.695 dslf_cs_ang: 0.824 dslf_ss_dih: 1.666 dslf_ca_dih: 0.714 rama: -18.147 omega: 4.699 fa_dun: 151.948 p_aa_pp: -9.871 ref: -27.810 cart_bonded: 1077.060 COMPLEX: Round1: MUT_28MET: 561.467 fa_atr: -1050.142 fa_rep: 90.067 fa_sol: 423.514 fa_intra_rep: 1.532 fa_pair: -10.570 hbond_sr_bb: -42.535 hbond_lr_bb: -11.645 hbond_bb_sc: -11.019 hbond_sc: -9.072 dslf_ss_dst: -3.694 dslf_cs_ang: 0.863 dslf_ss_dih: 1.682 dslf_ca_dih: 0.714 rama: -18.740 omega: 5.440 fa_dun: 154.548 p_aa_pp: -9.701 ref: -28.380 cart_bonded: 1078.608 COMPLEX: Round2: MUT_28MET: 560.136 fa_atr: -1042.509 fa_rep: 88.155 fa_sol: 421.009 fa_intra_rep: 1.545 fa_pair: -11.075 hbond_sr_bb: -42.095 hbond_lr_bb: -11.627 hbond_bb_sc: -11.465 hbond_sc: -11.645 dslf_ss_dst: -3.695 dslf_cs_ang: 0.859 dslf_ss_dih: 1.689 dslf_ca_dih: 0.714 rama: -18.610 omega: 5.324 fa_dun: 153.206 p_aa_pp: -9.686 ref: -28.380 cart_bonded: 1078.421 COMPLEX: Round3: MUT_28MET: 563.799 fa_atr: -1042.905 fa_rep: 87.116 fa_sol: 421.715 fa_intra_rep: 1.517 fa_pair: -10.317 hbond_sr_bb: -42.272 hbond_lr_bb: -11.642 hbond_bb_sc: -10.821 hbond_sc: -11.918 dslf_ss_dst: -3.695 dslf_cs_ang: 0.856 dslf_ss_dih: 1.674 dslf_ca_dih: 0.714 rama: -18.580 omega: 5.169 fa_dun: 157.756 p_aa_pp: -9.671 ref: -28.380 cart_bonded: 1077.484 COMPLEX: Round1: MUT_36SER: 552.240 fa_atr: -1044.180 fa_rep: 87.023 fa_sol: 420.086 fa_intra_rep: 1.547 fa_pair: -10.956 hbond_sr_bb: -42.474 hbond_lr_bb: -11.644 hbond_bb_sc: -11.218 hbond_sc: -14.203 dslf_ss_dst: -3.695 dslf_cs_ang: 0.856 dslf_ss_dih: 1.673 dslf_ca_dih: 0.714 rama: -18.346 omega: 5.066 fa_dun: 151.427 p_aa_pp: -9.675 ref: -27.840 cart_bonded: 1078.079 COMPLEX: Round2: MUT_36SER: 554.772 fa_atr: -1044.852 fa_rep: 87.266 fa_sol: 418.288 fa_intra_rep: 1.551 fa_pair: -10.777 hbond_sr_bb: -42.417 hbond_lr_bb: -11.549 hbond_bb_sc: -10.597 hbond_sc: -9.900 dslf_ss_dst: -3.695 dslf_cs_ang: 0.837 dslf_ss_dih: 1.669 dslf_ca_dih: 0.714 rama: -18.213 omega: 4.609 fa_dun: 152.600 p_aa_pp: -9.917 ref: -27.840 cart_bonded: 1076.995 COMPLEX: Round3: MUT_36SER: 555.557 fa_atr: -1047.670 fa_rep: 87.934 fa_sol: 420.380 fa_intra_rep: 1.546 fa_pair: -10.478 hbond_sr_bb: -42.180 hbond_lr_bb: -11.648 hbond_bb_sc: -10.611 hbond_sc: -10.164 dslf_ss_dst: -3.695 dslf_cs_ang: 0.856 dslf_ss_dih: 1.673 dslf_ca_dih: 0.714 rama: -18.642 omega: 5.123 fa_dun: 152.921 p_aa_pp: -9.848 ref: -27.840 cart_bonded: 1077.186 COMPLEX: Round1: MUT_37ALA: 557.319 fa_atr: -1043.961 fa_rep: 87.807 fa_sol: 421.397 fa_intra_rep: 1.505 fa_pair: -10.835 hbond_sr_bb: -42.511 hbond_lr_bb: -11.652 hbond_bb_sc: -11.439 hbond_sc: -10.885 dslf_ss_dst: -3.695 dslf_cs_ang: 0.855 dslf_ss_dih: 1.674 dslf_ca_dih: 0.714 rama: -18.570 omega: 5.111 fa_dun: 152.176 p_aa_pp: -9.522 ref: -28.270 cart_bonded: 1077.421 COMPLEX: Round2: MUT_37ALA: 558.354 fa_atr: -1046.053 fa_rep: 88.362 fa_sol: 420.976 fa_intra_rep: 1.525 fa_pair: -10.354 hbond_sr_bb: -42.127 hbond_lr_bb: -11.642 hbond_bb_sc: -10.102 hbond_sc: -12.615 dslf_ss_dst: -3.696 dslf_cs_ang: 0.857 dslf_ss_dih: 1.673 dslf_ca_dih: 0.714 rama: -18.688 omega: 5.165 fa_dun: 154.844 p_aa_pp: -9.610 ref: -28.270 cart_bonded: 1077.393 COMPLEX: Round3: MUT_37ALA: 559.041 fa_atr: -1045.937 fa_rep: 88.819 fa_sol: 420.683 fa_intra_rep: 1.519 fa_pair: -10.890 hbond_sr_bb: -42.252 hbond_lr_bb: -11.641 hbond_bb_sc: -11.413 hbond_sc: -9.146 dslf_ss_dst: -3.696 dslf_cs_ang: 0.858 dslf_ss_dih: 1.674 dslf_ca_dih: 0.714 rama: -18.631 omega: 5.211 fa_dun: 153.730 p_aa_pp: -9.601 ref: -28.270 cart_bonded: 1077.309 COMPLEX: Round1: MUT_41GLN: 556.462 fa_atr: -1042.075 fa_rep: 88.143 fa_sol: 417.928 fa_intra_rep: 1.541 fa_pair: -11.121 hbond_sr_bb: -42.417 hbond_lr_bb: -11.579 hbond_bb_sc: -11.041 hbond_sc: -13.912 dslf_ss_dst: -3.695 dslf_cs_ang: 0.927 dslf_ss_dih: 1.744 dslf_ca_dih: 0.716 rama: -18.177 omega: 4.649 fa_dun: 155.668 p_aa_pp: -9.865 ref: -28.130 cart_bonded: 1077.160 COMPLEX: Round2: MUT_41GLN: 555.291 fa_atr: -1045.923 fa_rep: 87.995 fa_sol: 422.887 fa_intra_rep: 1.543 fa_pair: -11.446 hbond_sr_bb: -42.219 hbond_lr_bb: -11.644 hbond_bb_sc: -10.204 hbond_sc: -16.116 dslf_ss_dst: -3.695 dslf_cs_ang: 0.856 dslf_ss_dih: 1.673 dslf_ca_dih: 0.714 rama: -18.549 omega: 5.139 fa_dun: 154.435 p_aa_pp: -9.715 ref: -28.130 cart_bonded: 1077.690 COMPLEX: Round3: MUT_41GLN: 557.506 fa_atr: -1039.687 fa_rep: 87.380 fa_sol: 417.105 fa_intra_rep: 1.535 fa_pair: -10.647 hbond_sr_bb: -42.145 hbond_lr_bb: -11.528 hbond_bb_sc: -11.038 hbond_sc: -12.801 dslf_ss_dst: -3.694 dslf_cs_ang: 0.837 dslf_ss_dih: 1.679 dslf_ca_dih: 0.714 rama: -18.348 omega: 4.746 fa_dun: 154.952 p_aa_pp: -9.968 ref: -28.130 cart_bonded: 1076.544 COMPLEX: Round1: MUT_42GLN: 557.183 fa_atr: -1053.785 fa_rep: 88.732 fa_sol: 426.057 fa_intra_rep: 1.544 fa_pair: -10.547 hbond_sr_bb: -42.134 hbond_lr_bb: -11.637 hbond_bb_sc: -9.752 hbond_sc: -11.533 dslf_ss_dst: -3.695 dslf_cs_ang: 0.857 dslf_ss_dih: 1.674 dslf_ca_dih: 0.714 rama: -18.602 omega: 5.155 fa_dun: 155.659 p_aa_pp: -9.727 ref: -29.270 cart_bonded: 1077.474 COMPLEX: Round2: MUT_42GLN: 555.414 fa_atr: -1045.473 fa_rep: 86.795 fa_sol: 423.168 fa_intra_rep: 1.527 fa_pair: -11.326 hbond_sr_bb: -42.463 hbond_lr_bb: -11.624 hbond_bb_sc: -11.049 hbond_sc: -10.607 dslf_ss_dst: -3.695 dslf_cs_ang: 0.859 dslf_ss_dih: 1.689 dslf_ca_dih: 0.714 rama: -18.410 omega: 5.198 fa_dun: 152.126 p_aa_pp: -9.698 ref: -29.270 cart_bonded: 1076.952 COMPLEX: Round3: MUT_42GLN: 557.087 fa_atr: -1051.353 fa_rep: 88.383 fa_sol: 424.575 fa_intra_rep: 1.525 fa_pair: -10.858 hbond_sr_bb: -42.476 hbond_lr_bb: -11.545 hbond_bb_sc: -9.766 hbond_sc: -10.581 dslf_ss_dst: -3.689 dslf_cs_ang: 0.832 dslf_ss_dih: 1.670 dslf_ca_dih: 0.714 rama: -18.170 omega: 4.689 fa_dun: 155.052 p_aa_pp: -9.815 ref: -29.270 cart_bonded: 1077.171 COMPLEX: Round1: MUT_59THR: 558.300 fa_atr: -1042.972 fa_rep: 87.972 fa_sol: 418.808 fa_intra_rep: 1.530 fa_pair: -10.265 hbond_sr_bb: -42.118 hbond_lr_bb: -11.648 hbond_bb_sc: -11.437 hbond_sc: -8.014 dslf_ss_dst: -3.695 dslf_cs_ang: 0.859 dslf_ss_dih: 1.689 dslf_ca_dih: 0.714 rama: -18.481 omega: 5.387 fa_dun: 149.924 p_aa_pp: -9.749 ref: -27.440 cart_bonded: 1077.235 COMPLEX: Round2: MUT_59THR: 554.759 fa_atr: -1041.194 fa_rep: 86.694 fa_sol: 419.139 fa_intra_rep: 1.515 fa_pair: -10.582 hbond_sr_bb: -42.453 hbond_lr_bb: -11.642 hbond_bb_sc: -11.053 hbond_sc: -10.523 dslf_ss_dst: -3.695 dslf_cs_ang: 0.858 dslf_ss_dih: 1.689 dslf_ca_dih: 0.714 rama: -18.500 omega: 5.104 fa_dun: 148.640 p_aa_pp: -9.569 ref: -27.440 cart_bonded: 1077.055 COMPLEX: Round3: MUT_59THR: 556.745 fa_atr: -1039.571 fa_rep: 86.395 fa_sol: 417.378 fa_intra_rep: 1.524 fa_pair: -10.425 hbond_sr_bb: -42.490 hbond_lr_bb: -11.637 hbond_bb_sc: -11.028 hbond_sc: -9.152 dslf_ss_dst: -3.696 dslf_cs_ang: 0.859 dslf_ss_dih: 1.689 dslf_ca_dih: 0.714 rama: -18.440 omega: 5.197 fa_dun: 149.697 p_aa_pp: -9.680 ref: -27.440 cart_bonded: 1076.849 COMPLEX: Round1: MUT_62GLU: 559.628 fa_atr: -1040.993 fa_rep: 87.540 fa_sol: 419.198 fa_intra_rep: 1.505 fa_pair: -10.779 hbond_sr_bb: -42.564 hbond_lr_bb: -11.646 hbond_bb_sc: -11.079 hbond_sc: -7.564 dslf_ss_dst: -3.695 dslf_cs_ang: 0.857 dslf_ss_dih: 1.676 dslf_ca_dih: 0.714 rama: -18.644 omega: 5.058 fa_dun: 150.667 p_aa_pp: -9.811 ref: -27.970 cart_bonded: 1077.159 COMPLEX: Round2: MUT_62GLU: 560.011 fa_atr: -1044.749 fa_rep: 88.399 fa_sol: 421.388 fa_intra_rep: 1.533 fa_pair: -10.949 hbond_sr_bb: -42.254 hbond_lr_bb: -11.656 hbond_bb_sc: -11.045 hbond_sc: -9.684 dslf_ss_dst: -3.694 dslf_cs_ang: 0.852 dslf_ss_dih: 1.668 dslf_ca_dih: 0.714 rama: -18.771 omega: 5.148 fa_dun: 153.402 p_aa_pp: -9.893 ref: -27.970 cart_bonded: 1077.570 COMPLEX: Round3: MUT_62GLU: 558.668 fa_atr: -1040.003 fa_rep: 87.581 fa_sol: 418.033 fa_intra_rep: 1.527 fa_pair: -10.419 hbond_sr_bb: -42.137 hbond_lr_bb: -11.634 hbond_bb_sc: -11.461 hbond_sc: -11.665 dslf_ss_dst: -3.695 dslf_cs_ang: 0.860 dslf_ss_dih: 1.689 dslf_ca_dih: 0.714 rama: -18.706 omega: 5.176 fa_dun: 153.755 p_aa_pp: -9.907 ref: -27.970 cart_bonded: 1076.930 COMPLEX: Round1: MUT_66LYS: 553.503 fa_atr: -1038.820 fa_rep: 86.175 fa_sol: 416.999 fa_intra_rep: 1.518 fa_pair: -10.873 hbond_sr_bb: -42.568 hbond_lr_bb: -11.641 hbond_bb_sc: -11.050 hbond_sc: -9.614 dslf_ss_dst: -3.695 dslf_cs_ang: 0.956 dslf_ss_dih: 1.766 dslf_ca_dih: 0.716 rama: -18.364 omega: 5.057 fa_dun: 148.138 p_aa_pp: -9.773 ref: -28.120 cart_bonded: 1076.696 COMPLEX: Round2: MUT_66LYS: 553.403 fa_atr: -1046.562 fa_rep: 87.604 fa_sol: 419.999 fa_intra_rep: 1.525 fa_pair: -10.650 hbond_sr_bb: -42.446 hbond_lr_bb: -11.643 hbond_bb_sc: -9.726 hbond_sc: -11.820 dslf_ss_dst: -3.695 dslf_cs_ang: 0.856 dslf_ss_dih: 1.673 dslf_ca_dih: 0.714 rama: -18.551 omega: 5.163 fa_dun: 151.569 p_aa_pp: -9.802 ref: -28.120 cart_bonded: 1077.315 COMPLEX: Round3: MUT_66LYS: 554.194 fa_atr: -1049.359 fa_rep: 88.283 fa_sol: 422.223 fa_intra_rep: 1.539 fa_pair: -10.674 hbond_sr_bb: -42.285 hbond_lr_bb: -11.664 hbond_bb_sc: -11.041 hbond_sc: -9.482 dslf_ss_dst: -3.695 dslf_cs_ang: 0.856 dslf_ss_dih: 1.673 dslf_ca_dih: 0.714 rama: -18.527 omega: 5.200 fa_dun: 150.839 p_aa_pp: -9.803 ref: -28.120 cart_bonded: 1077.518