Branch: rosetta:main 「revision: №62101」
Test: linux.clang.integration.release_debug_no_symbols
SubTest: cmaes_minimizer
SubTest files: 「file-system-view」
Daemon: hojo-2    
State: cmaes_minimizer

Brief Diff: Files /home/benchmark/working_dir/main:62100/cmaes_minimizer/log and /home/benchmark/working_dir/main:62101/cmaes_minimizer/log differ Files /home/benchmark/working_dir/main:62100/cmaes_minimizer/min_pose.pdb and /home/benchmark/working_dir/main:62101/cmaes_minimizer/min_pose.pdb differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62100/cmaes_minimizer/log /home/benchmark/working_dir/main:62101/cmaes_minimizer/log 99c99 < core.optimization.CMAES_Minimizer: Stop: TolFun: function value differences 9.48e-04 < stopTolFun=1.00e-03 --- > core.optimization.CMAES_Minimizer: Stop: TolFun: function value differences 7.47e-04 < stopTolFun=1.00e-03 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62100/cmaes_minimizer/min_pose.pdb /home/benchmark/working_dir/main:62101/cmaes_minimizer/min_pose.pdb 13c13 < ATOM 4 O ALA 2 35.363 12.778 -5.095 1.00 0.00 O --- > ATOM 4 O ALA 2 35.363 12.776 -5.095 1.00 0.00 O 22,112c22,112 < ATOM 13 N ALA 3 35.405 12.647 -7.426 1.00 0.00 N < ATOM 14 CA ALA 3 36.820 12.488 -7.105 1.00 0.00 C < ATOM 15 C ALA 3 37.372 13.738 -6.462 1.00 0.00 C < ATOM 16 O ALA 3 38.264 13.696 -5.606 1.00 0.00 O < ATOM 17 CB ALA 3 37.555 12.113 -8.404 1.00 0.00 C < ATOM 18 H ALA 3 34.960 12.652 -8.410 1.00 0.00 H < ATOM 19 HA ALA 3 36.927 11.666 -6.371 1.00 0.00 H < ATOM 20 1HB ALA 3 37.161 11.175 -8.841 1.00 0.00 H < ATOM 21 2HB ALA 3 37.456 12.897 -9.180 1.00 0.00 H < ATOM 22 3HB ALA 3 38.635 11.956 -8.235 1.00 0.00 H < ATOM 23 N ALA 4 36.831 15.044 -6.863 1.00 0.00 N < ATOM 24 CA ALA 4 37.613 16.048 -6.150 1.00 0.00 C < ATOM 25 C ALA 4 37.376 15.960 -4.660 1.00 0.00 C < ATOM 26 O ALA 4 38.267 16.205 -3.838 1.00 0.00 O < ATOM 27 CB ALA 4 37.249 17.425 -6.730 1.00 0.00 C < ATOM 28 H ALA 4 36.017 15.225 -7.550 1.00 0.00 H < ATOM 29 HA ALA 4 38.688 15.849 -6.323 1.00 0.00 H < ATOM 30 1HB ALA 4 37.464 17.483 -7.814 1.00 0.00 H < ATOM 31 2HB ALA 4 36.175 17.660 -6.603 1.00 0.00 H < ATOM 32 3HB ALA 4 37.820 18.240 -6.249 1.00 0.00 H < ATOM 33 N ALA 5 36.045 15.572 -4.173 1.00 0.00 N < ATOM 34 CA ALA 5 36.090 15.692 -2.719 1.00 0.00 C < ATOM 35 C ALA 5 36.961 14.615 -2.116 1.00 0.00 C < ATOM 36 O ALA 5 37.634 14.810 -1.096 1.00 0.00 O < ATOM 37 CB ALA 5 34.642 15.647 -2.202 1.00 0.00 C < ATOM 38 H ALA 5 35.202 15.260 -4.772 1.00 0.00 H < ATOM 39 HA ALA 5 36.545 16.665 -2.458 1.00 0.00 H < ATOM 40 1HB ALA 5 34.030 16.466 -2.625 1.00 0.00 H < ATOM 41 2HB ALA 5 34.135 14.697 -2.461 1.00 0.00 H < ATOM 42 3HB ALA 5 34.595 15.753 -1.103 1.00 0.00 H < ATOM 43 N ALA 6 37.008 13.294 -2.759 1.00 0.00 N < ATOM 44 CA ALA 6 37.852 12.457 -1.912 1.00 0.00 C < ATOM 45 C ALA 6 39.291 12.915 -1.960 1.00 0.00 C < ATOM 46 O ALA 6 40.031 12.859 -0.972 1.00 0.00 O < ATOM 47 CB ALA 6 37.676 11.000 -2.372 1.00 0.00 C < ATOM 48 H ALA 6 36.518 13.002 -3.675 1.00 0.00 H < ATOM 49 HA ALA 6 37.512 12.557 -0.864 1.00 0.00 H < ATOM 50 1HB ALA 6 36.622 10.669 -2.293 1.00 0.00 H < ATOM 51 2HB ALA 6 37.982 10.855 -3.426 1.00 0.00 H < ATOM 52 3HB ALA 6 38.274 10.300 -1.761 1.00 0.00 H < ATOM 53 N ALA 7 39.827 13.445 -3.223 1.00 0.00 N < ATOM 54 CA ALA 7 41.245 13.702 -2.989 1.00 0.00 C < ATOM 55 C ALA 7 41.434 14.827 -1.999 1.00 0.00 C < ATOM 56 O ALA 7 42.368 14.837 -1.188 1.00 0.00 O < ATOM 57 CB ALA 7 41.898 13.991 -4.352 1.00 0.00 C < ATOM 58 H ALA 7 39.282 13.610 -4.140 1.00 0.00 H < ATOM 59 HA ALA 7 41.701 12.796 -2.548 1.00 0.00 H < ATOM 60 1HB ALA 7 41.782 13.141 -5.052 1.00 0.00 H < ATOM 61 2HB ALA 7 41.456 14.879 -4.845 1.00 0.00 H < ATOM 62 3HB ALA 7 42.982 14.179 -4.257 1.00 0.00 H < ATOM 63 N ALA 8 40.478 15.942 -1.999 1.00 0.00 N < ATOM 64 CA ALA 8 40.970 16.902 -1.014 1.00 0.00 C < ATOM 65 C ALA 8 40.898 16.330 0.382 1.00 0.00 C < ATOM 66 O ALA 8 41.760 16.571 1.235 1.00 0.00 O < ATOM 67 CB ALA 8 40.149 18.194 -1.171 1.00 0.00 C < ATOM 68 H ALA 8 39.589 16.035 -2.605 1.00 0.00 H < ATOM 69 HA ALA 8 42.034 17.114 -1.227 1.00 0.00 H < ATOM 70 1HB ALA 8 40.243 18.619 -2.188 1.00 0.00 H < ATOM 71 2HB ALA 8 39.069 18.026 -0.990 1.00 0.00 H < ATOM 72 3HB ALA 8 40.479 18.979 -0.466 1.00 0.00 H < ATOM 73 N ALA 9 39.769 15.458 0.736 1.00 0.00 N < ATOM 74 CA ALA 9 39.882 15.204 2.170 1.00 0.00 C < ATOM 75 C ALA 9 40.926 14.151 2.451 1.00 0.00 C < ATOM 76 O ALA 9 41.341 13.926 3.594 1.00 0.00 O < ATOM 77 CB ALA 9 38.487 14.813 2.686 1.00 0.00 C < ATOM 78 H ALA 9 39.007 15.080 0.070 1.00 0.00 H < ATOM 79 HA ALA 9 40.212 16.135 2.669 1.00 0.00 H < ATOM 80 1HB ALA 9 37.743 15.613 2.505 1.00 0.00 H < ATOM 81 2HB ALA 9 38.103 13.897 2.197 1.00 0.00 H < ATOM 82 3HB ALA 9 38.489 14.623 3.775 1.00 0.00 H < ATOM 83 N ALA 10 41.467 13.367 1.330 1.00 0.00 N < ATOM 84 CA ALA 10 42.429 12.434 1.910 1.00 0.00 C < ATOM 85 C ALA 10 43.778 13.090 2.087 1.00 0.00 C < ATOM 86 O ALA 10 44.748 12.481 2.555 1.00 0.00 O < ATOM 87 CB ALA 10 42.484 11.194 1.001 1.00 0.00 C < ATOM 88 H ALA 10 41.205 13.462 0.287 1.00 0.00 H < ATOM 89 HA ALA 10 42.074 12.138 2.915 1.00 0.00 H < ATOM 90 1HB ALA 10 41.495 10.706 0.913 1.00 0.00 H < ATOM 91 2HB ALA 10 42.812 11.445 -0.027 1.00 0.00 H < ATOM 92 3HB ALA 10 43.182 10.430 1.387 1.00 0.00 H < ATOM 93 N ALA 11 43.944 14.495 1.691 1.00 0.00 N < ATOM 94 CA ALA 11 45.363 14.800 1.844 1.00 0.00 C < ATOM 95 C ALA 11 45.664 15.288 3.241 1.00 0.00 C < ATOM 96 O ALA 11 44.784 15.387 4.105 1.00 0.00 O < ATOM 97 OXT ALA 11 46.784 15.595 3.542 1.00 0.00 O < ATOM 98 CB ALA 11 45.741 15.824 0.761 1.00 0.00 C < ATOM 99 H ALA 11 43.169 15.170 1.354 1.00 0.00 H < ATOM 100 HA ALA 11 45.943 13.870 1.690 1.00 0.00 H < ATOM 101 1HB ALA 11 45.549 15.435 -0.258 1.00 0.00 H < ATOM 102 2HB ALA 11 45.167 16.766 0.859 1.00 0.00 H < ATOM 103 3HB ALA 11 46.813 16.091 0.802 1.00 0.00 H --- > ATOM 13 N ALA 3 35.406 12.650 -7.426 1.00 0.00 N > ATOM 14 CA ALA 3 36.820 12.491 -7.105 1.00 0.00 C > ATOM 15 C ALA 3 37.372 13.739 -6.459 1.00 0.00 C > ATOM 16 O ALA 3 38.264 13.696 -5.604 1.00 0.00 O > ATOM 17 CB ALA 3 37.555 12.118 -8.404 1.00 0.00 C > ATOM 18 H ALA 3 34.961 12.656 -8.411 1.00 0.00 H > ATOM 19 HA ALA 3 36.927 11.668 -6.373 1.00 0.00 H > ATOM 20 1HB ALA 3 37.162 11.181 -8.843 1.00 0.00 H > ATOM 21 2HB ALA 3 37.456 12.903 -9.179 1.00 0.00 H > ATOM 22 3HB ALA 3 38.636 11.961 -8.236 1.00 0.00 H > ATOM 23 N ALA 4 36.830 15.046 -6.859 1.00 0.00 N > ATOM 24 CA ALA 4 37.613 16.049 -6.143 1.00 0.00 C > ATOM 25 C ALA 4 37.375 15.959 -4.654 1.00 0.00 C > ATOM 26 O ALA 4 38.265 16.203 -3.832 1.00 0.00 O > ATOM 27 CB ALA 4 37.248 17.427 -6.722 1.00 0.00 C > ATOM 28 H ALA 4 36.016 15.228 -7.544 1.00 0.00 H > ATOM 29 HA ALA 4 38.687 15.850 -6.317 1.00 0.00 H > ATOM 30 1HB ALA 4 37.464 17.487 -7.806 1.00 0.00 H > ATOM 31 2HB ALA 4 36.174 17.662 -6.595 1.00 0.00 H > ATOM 32 3HB ALA 4 37.819 18.241 -6.240 1.00 0.00 H > ATOM 33 N ALA 5 36.044 15.570 -4.168 1.00 0.00 N > ATOM 34 CA ALA 5 36.088 15.688 -2.714 1.00 0.00 C > ATOM 35 C ALA 5 36.956 14.610 -2.110 1.00 0.00 C > ATOM 36 O ALA 5 37.628 14.803 -1.089 1.00 0.00 O > ATOM 37 CB ALA 5 34.640 15.646 -2.198 1.00 0.00 C > ATOM 38 H ALA 5 35.201 15.257 -4.768 1.00 0.00 H > ATOM 39 HA ALA 5 36.544 16.661 -2.452 1.00 0.00 H > ATOM 40 1HB ALA 5 34.029 16.466 -2.621 1.00 0.00 H > ATOM 41 2HB ALA 5 34.132 14.697 -2.458 1.00 0.00 H > ATOM 42 3HB ALA 5 34.592 15.751 -1.099 1.00 0.00 H > ATOM 43 N ALA 6 37.004 13.290 -2.755 1.00 0.00 N > ATOM 44 CA ALA 6 37.847 12.451 -1.908 1.00 0.00 C > ATOM 45 C ALA 6 39.286 12.907 -1.957 1.00 0.00 C > ATOM 46 O ALA 6 40.026 12.850 -0.968 1.00 0.00 O > ATOM 47 CB ALA 6 37.668 10.994 -2.368 1.00 0.00 C > ATOM 48 H ALA 6 36.514 12.999 -3.672 1.00 0.00 H > ATOM 49 HA ALA 6 37.507 12.552 -0.860 1.00 0.00 H > ATOM 50 1HB ALA 6 36.614 10.665 -2.290 1.00 0.00 H > ATOM 51 2HB ALA 6 37.974 10.849 -3.423 1.00 0.00 H > ATOM 52 3HB ALA 6 38.265 10.294 -1.757 1.00 0.00 H > ATOM 53 N ALA 7 39.822 13.436 -3.219 1.00 0.00 N > ATOM 54 CA ALA 7 41.241 13.692 -2.985 1.00 0.00 C > ATOM 55 C ALA 7 41.432 14.816 -1.994 1.00 0.00 C > ATOM 56 O ALA 7 42.365 14.825 -1.184 1.00 0.00 O > ATOM 57 CB ALA 7 41.894 13.981 -4.348 1.00 0.00 C > ATOM 58 H ALA 7 39.278 13.602 -4.136 1.00 0.00 H > ATOM 59 HA ALA 7 41.696 12.786 -2.544 1.00 0.00 H > ATOM 60 1HB ALA 7 41.777 13.132 -5.048 1.00 0.00 H > ATOM 61 2HB ALA 7 41.453 14.869 -4.840 1.00 0.00 H > ATOM 62 3HB ALA 7 42.979 14.167 -4.253 1.00 0.00 H > ATOM 63 N ALA 8 40.476 15.933 -1.993 1.00 0.00 N > ATOM 64 CA ALA 8 40.970 16.892 -1.008 1.00 0.00 C > ATOM 65 C ALA 8 40.897 16.318 0.387 1.00 0.00 C > ATOM 66 O ALA 8 41.758 16.559 1.241 1.00 0.00 O > ATOM 67 CB ALA 8 40.150 18.184 -1.164 1.00 0.00 C > ATOM 68 H ALA 8 39.588 16.027 -2.600 1.00 0.00 H > ATOM 69 HA ALA 8 42.034 17.102 -1.221 1.00 0.00 H > ATOM 70 1HB ALA 8 40.245 18.610 -2.182 1.00 0.00 H > ATOM 71 2HB ALA 8 39.070 18.018 -0.984 1.00 0.00 H > ATOM 72 3HB ALA 8 40.481 18.969 -0.460 1.00 0.00 H > ATOM 73 N ALA 9 39.766 15.448 0.741 1.00 0.00 N > ATOM 74 CA ALA 9 39.879 15.193 2.175 1.00 0.00 C > ATOM 75 C ALA 9 40.922 14.139 2.455 1.00 0.00 C > ATOM 76 O ALA 9 41.337 13.914 3.599 1.00 0.00 O > ATOM 77 CB ALA 9 38.483 14.804 2.690 1.00 0.00 C > ATOM 78 H ALA 9 39.004 15.071 0.074 1.00 0.00 H > ATOM 79 HA ALA 9 40.209 16.124 2.674 1.00 0.00 H > ATOM 80 1HB ALA 9 37.740 15.604 2.509 1.00 0.00 H > ATOM 81 2HB ALA 9 38.099 13.888 2.201 1.00 0.00 H > ATOM 82 3HB ALA 9 38.485 14.612 3.779 1.00 0.00 H > ATOM 83 N ALA 10 41.462 13.355 1.335 1.00 0.00 N > ATOM 84 CA ALA 10 42.423 12.421 1.914 1.00 0.00 C > ATOM 85 C ALA 10 43.773 13.075 2.091 1.00 0.00 C > ATOM 86 O ALA 10 44.742 12.465 2.559 1.00 0.00 O > ATOM 87 CB ALA 10 42.477 11.182 1.005 1.00 0.00 C > ATOM 88 H ALA 10 41.200 13.451 0.291 1.00 0.00 H > ATOM 89 HA ALA 10 42.068 12.125 2.919 1.00 0.00 H > ATOM 90 1HB ALA 10 41.487 10.695 0.917 1.00 0.00 H > ATOM 91 2HB ALA 10 42.805 11.433 -0.023 1.00 0.00 H > ATOM 92 3HB ALA 10 43.174 10.417 1.391 1.00 0.00 H > ATOM 93 N ALA 11 43.941 14.481 1.696 1.00 0.00 N > ATOM 94 CA ALA 11 45.360 14.784 1.848 1.00 0.00 C > ATOM 95 C ALA 11 45.662 15.272 3.246 1.00 0.00 C > ATOM 96 O ALA 11 44.782 15.371 4.110 1.00 0.00 O > ATOM 97 OXT ALA 11 46.782 15.578 3.546 1.00 0.00 O > ATOM 98 CB ALA 11 45.738 15.808 0.765 1.00 0.00 C > ATOM 99 H ALA 11 43.166 15.156 1.359 1.00 0.00 H > ATOM 100 HA ALA 11 45.938 13.854 1.694 1.00 0.00 H > ATOM 101 1HB ALA 11 45.546 15.418 -0.253 1.00 0.00 H > ATOM 102 2HB ALA 11 45.166 16.750 0.863 1.00 0.00 H > ATOM 103 3HB ALA 11 46.811 16.073 0.806 1.00 0.00 H 118,128c118,128 < pose -24.7025 4.77872 24.4228 0.01055 0 -2.65381 -10.1674 0 -5.27871 0 0 0 0 0.08473 0 -0.77518 0 13.2468 -3.48303 -4.51705 < ALA:NtermProteinFull_1 -2.02817 0.33686 1.437 0.00167 0 -0.18098 -0.92041 0 0 0 0 0 0 -0.0011 0 0 0 1.32468 0 -0.03044 < ALA_2 -1.94159 0.46069 1.98161 0.00095 0 -0.20406 -1.15442 0 0 0 0 0 0 -0.03224 0 -0.19172 0 1.32468 -0.28973 -0.04584 < ALA_3 -2.41172 0.49497 2.30023 0.00095 0 -0.28248 -0.7259 0 0 0 0 0 0 0.00512 0 -0.16595 0 1.32468 -0.53446 0.00545 < ALA_4 -3.25167 0.48896 2.65121 0.00094 0 -0.34118 -0.78145 0 0 0 0 0 0 -0.03682 0 -0.04647 0 1.32468 -0.38551 -0.37729 < ALA_5 -3.34476 0.46975 3.38818 0.00095 0 -0.32507 -1.81972 0 0 0 0 0 0 -0.0198 0 -0.09784 0 1.32468 -0.30315 -0.72678 < ALA_6 -3.15932 0.47686 3.18758 0.00095 0 -0.4071 -1.3853 0 0 0 0 0 0 -0.02825 0 -0.14008 0 1.32468 -0.36895 -0.49894 < ALA_7 -2.81631 0.50569 2.86866 0.00095 0 -0.32596 -1.40487 0 0 0 0 0 0 0.10671 0 -0.15706 0 1.32468 -0.4036 -0.3011 < ALA_8 -2.26009 0.56129 2.41309 0.00097 0 -0.2227 -0.73898 0 0 0 0 0 0 -0.02716 0 -0.04424 0 1.32468 -0.44907 0.55779 < ALA_9 -2.01283 0.59902 2.15752 0.00108 0 -0.17539 -1.12929 0 0 0 0 0 0 0.11826 0 0.06817 0 1.32468 -0.50031 0.45091 < ALA:CtermProteinFull_10 -1.47609 0.38463 2.03777 0.00114 0 -0.18888 -0.10708 0 0 0 0 0 0 0 0 0 0 1.32468 -0.24826 1.72791 --- > pose -24.6927 4.77041 24.4071 0.01055 0 -2.66075 -10.1655 0 -5.28249 0 0 0 0 0.0864 0 -0.76544 0 13.2468 -3.47148 -4.51707 > ALA:NtermProteinFull_1 -2.02796 0.3366 1.43658 0.00166 0 -0.18237 -0.92027 0 0 0 0 0 0 -0.00098 0 0 0 1.32468 0 -0.03205 > ALA_2 -1.93948 0.45957 1.97939 0.00095 0 -0.20478 -1.15594 0 0 0 0 0 0 -0.03195 0 -0.19094 0 1.32468 -0.28982 -0.04833 > ALA_3 -2.40974 0.49291 2.29655 0.00095 0 -0.28337 -0.72593 0 0 0 0 0 0 0.00664 0 -0.16348 0 1.32468 -0.53391 0.0053 > ALA_4 -3.24869 0.48631 2.64716 0.00094 0 -0.34171 -0.78027 0 0 0 0 0 0 -0.03751 0 -0.0428 0 1.32468 -0.38235 -0.37423 > ALA_5 -3.34208 0.46828 3.38565 0.00095 0 -0.32687 -1.81803 0 0 0 0 0 0 -0.02061 0 -0.09475 0 1.32468 -0.29829 -0.72106 > ALA_6 -3.158 0.47599 3.18545 0.00095 0 -0.4078 -1.3852 0 0 0 0 0 0 -0.02831 0 -0.14049 0 1.32468 -0.3669 -0.49964 > ALA_7 -2.81697 0.50575 2.86849 0.00095 0 -0.32683 -1.40449 0 0 0 0 0 0 0.10651 0 -0.15662 0 1.32468 -0.4035 -0.30202 > ALA_8 -2.26038 0.56096 2.41268 0.00097 0 -0.22284 -0.73828 0 0 0 0 0 0 -0.02734 0 -0.04473 0 1.32468 -0.44848 0.55725 > ALA_9 -2.01298 0.59944 2.15748 0.00108 0 -0.17556 -1.1294 0 0 0 0 0 0 0.11994 0 0.06837 0 1.32468 -0.50005 0.453 > ALA:CtermProteinFull_10 -1.47636 0.38461 2.0377 0.00114 0 -0.18862 -0.10775 0 0 0 0 0 0 0 0 0 0 1.32468 -0.2482 1.7272 134c134 < TOTAL_SCORE: -4.51705 --- > TOTAL_SCORE: -4.51707 136,146c136,146 < TOTAL_WTD: fa_atr: -24.703 fa_rep: 4.779 fa_sol: 24.423 fa_intra_rep: 0.011 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -2.654 fa_elec: -10.167 pro_close: 0.000 hbond_sr_bb: -5.279 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.085 fa_dun: 0.000 p_aa_pp: -0.775 yhh_planarity: 0.000 ref: 13.247 rama_prepro: -3.483 < RSD_WTD: 1 fa_atr: -2.028 fa_rep: 0.337 fa_sol: 1.437 fa_intra_rep: 0.002 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.181 fa_elec: -0.920 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.001 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: 0.000 < RSD_WTD: 2 fa_atr: -1.942 fa_rep: 0.461 fa_sol: 1.982 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.204 fa_elec: -1.154 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.032 fa_dun: 0.000 p_aa_pp: -0.192 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.290 < RSD_WTD: 3 fa_atr: -2.412 fa_rep: 0.495 fa_sol: 2.300 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.282 fa_elec: -0.726 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.005 fa_dun: 0.000 p_aa_pp: -0.166 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.534 < RSD_WTD: 4 fa_atr: -3.252 fa_rep: 0.489 fa_sol: 2.651 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.341 fa_elec: -0.781 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.037 fa_dun: 0.000 p_aa_pp: -0.046 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.386 < RSD_WTD: 5 fa_atr: -3.345 fa_rep: 0.470 fa_sol: 3.388 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.325 fa_elec: -1.820 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.020 fa_dun: 0.000 p_aa_pp: -0.098 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.303 < RSD_WTD: 6 fa_atr: -3.159 fa_rep: 0.477 fa_sol: 3.188 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.407 fa_elec: -1.385 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.028 fa_dun: 0.000 p_aa_pp: -0.140 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.369 < RSD_WTD: 7 fa_atr: -2.816 fa_rep: 0.506 fa_sol: 2.869 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.326 fa_elec: -1.405 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.107 fa_dun: 0.000 p_aa_pp: -0.157 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.404 < RSD_WTD: 8 fa_atr: -2.260 fa_rep: 0.561 fa_sol: 2.413 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.223 fa_elec: -0.739 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.027 fa_dun: 0.000 p_aa_pp: -0.044 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.449 < RSD_WTD: 9 fa_atr: -2.013 fa_rep: 0.599 fa_sol: 2.158 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.175 fa_elec: -1.129 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.118 fa_dun: 0.000 p_aa_pp: 0.068 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.500 < RSD_WTD: 10 fa_atr: -1.476 fa_rep: 0.385 fa_sol: 2.038 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.189 fa_elec: -0.107 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.248 --- > TOTAL_WTD: fa_atr: -24.693 fa_rep: 4.770 fa_sol: 24.407 fa_intra_rep: 0.011 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -2.661 fa_elec: -10.166 pro_close: 0.000 hbond_sr_bb: -5.282 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.086 fa_dun: 0.000 p_aa_pp: -0.765 yhh_planarity: 0.000 ref: 13.247 rama_prepro: -3.471 > RSD_WTD: 1 fa_atr: -2.028 fa_rep: 0.337 fa_sol: 1.437 fa_intra_rep: 0.002 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.182 fa_elec: -0.920 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.001 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: 0.000 > RSD_WTD: 2 fa_atr: -1.939 fa_rep: 0.460 fa_sol: 1.979 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.205 fa_elec: -1.156 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.032 fa_dun: 0.000 p_aa_pp: -0.191 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.290 > RSD_WTD: 3 fa_atr: -2.410 fa_rep: 0.493 fa_sol: 2.297 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.283 fa_elec: -0.726 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.007 fa_dun: 0.000 p_aa_pp: -0.163 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.534 > RSD_WTD: 4 fa_atr: -3.249 fa_rep: 0.486 fa_sol: 2.647 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.342 fa_elec: -0.780 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.038 fa_dun: 0.000 p_aa_pp: -0.043 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.382 > RSD_WTD: 5 fa_atr: -3.342 fa_rep: 0.468 fa_sol: 3.386 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.327 fa_elec: -1.818 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.021 fa_dun: 0.000 p_aa_pp: -0.095 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.298 > RSD_WTD: 6 fa_atr: -3.158 fa_rep: 0.476 fa_sol: 3.185 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.408 fa_elec: -1.385 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.028 fa_dun: 0.000 p_aa_pp: -0.140 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.367 > RSD_WTD: 7 fa_atr: -2.817 fa_rep: 0.506 fa_sol: 2.868 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.327 fa_elec: -1.404 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.107 fa_dun: 0.000 p_aa_pp: -0.157 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.403 > RSD_WTD: 8 fa_atr: -2.260 fa_rep: 0.561 fa_sol: 2.413 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.223 fa_elec: -0.738 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.027 fa_dun: 0.000 p_aa_pp: -0.045 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.448 > RSD_WTD: 9 fa_atr: -2.013 fa_rep: 0.599 fa_sol: 2.157 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.176 fa_elec: -1.129 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.120 fa_dun: 0.000 p_aa_pp: 0.068 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.500 > RSD_WTD: 10 fa_atr: -1.476 fa_rep: 0.385 fa_sol: 2.038 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.189 fa_elec: -0.108 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.248