0 jlee = 1 nbank = 200 nstep = 22141 60.01936 # 1 total E -8.88908E+01 rmsd from N 2.795 %NC 0.53 0 115.768 172.315 151.291 -12.712 91.603 75.685 137.137 -43.764 92.029 43.533 124.242 122.439 90.832 47.844 144.974 -95.066 89.706 43.232 124.446-108.372 90.841 50.498 156.489 -12.667 90.706 44.321 136.343-172.634 91.742 74.164 106.658 -98.353 90.508 -63.933 126.991-143.547 106.133 -69.120 180.000 180.000 99.971 -27.125 180.000 180.000 93.170 103.167 135.559-161.108 93.864 91.396 114.646 -76.662 126.785 -85.975 122.006 -77.634 95.420 90.180 180.000 180.000 130.624 -75.978 140.093-133.081 120.745-116.563 109.149-114.486 120.232-136.366 109.631-108.771 117.983-118.752 121.879-126.423 121.890 0.000 121.574 -81.058 # 2 total E -8.71355E+01 rmsd from N 2.050 %NC 0.67 0 112.721 156.573 149.244 -38.258 91.965 86.604 137.045 -17.135 90.623 45.176 104.097 -84.152 89.627 43.661 150.169 -99.480 90.765 44.933 120.817-130.001 91.182 44.624 138.424 83.478 91.225 44.616 129.650-138.227 93.010 75.293 139.553-139.079 90.974 -70.947 148.668 -27.939 105.471 -53.211 180.000 180.000 111.954 -66.042 180.000 180.000 93.064 72.786 137.286-165.242 92.787 112.889 114.379 -76.891 122.190 -89.584 122.257-133.374 95.428 74.826 180.000 180.000 118.528 -76.099 135.004 -48.325 119.486-118.784 107.422-108.008 118.516-115.674 141.542-156.315 117.650-118.294 123.905-128.335 121.865 0.000 121.428 -81.089 # 3 total E -8.73004E+01 rmsd from N 2.305 %NC 0.60 0 115.226 162.248 147.543 -19.764 91.547 83.456 141.007 -21.592 91.468 41.252 125.418 120.846 90.579 46.763 150.950 -93.366 90.764 44.731 120.420-127.322 91.187 48.261 146.660 93.022 91.189 40.531 137.923-126.292 93.321 70.186 136.211-135.361 92.029 -72.958 142.203-133.709 109.616 -44.845 180.000 180.000 114.941 -72.370 180.000 180.000 93.621 65.852 131.787-157.871 93.266 123.000 114.926 -76.945 117.862 -84.288 125.960-144.389 95.360 69.803 180.000 180.000 120.097 -82.505 127.409 -49.750 123.828-163.867 109.789-108.161 119.051-113.133 117.319-119.415 117.332-118.587 125.902-132.703 121.787 0.000 121.566 -80.883 # 4 total E -8.74119E+01 rmsd from N 2.435 %NC 0.67 0 93.864 105.369 146.545 -10.888 91.488 74.417 135.261 -34.711 92.433 42.436 130.569 114.182 91.317 43.764 141.060 -92.894 89.945 45.441 116.678-115.218 90.704 48.649 162.492 -20.261 90.954 46.313 139.807 170.231 92.155 58.761 110.367-100.437 93.081 -69.242 114.651 -80.088 121.952 -41.439 180.000 180.000 125.595 -61.170 180.000 180.000 93.454 61.542 99.849 -94.110 92.920 130.671 123.398 132.742 116.685 -69.868 133.011-146.164 94.559 67.920 180.000 180.000 122.531 -88.878 128.036-116.607 120.299-110.894 113.872-118.509 118.479-138.652 112.856-113.413 116.825-118.588 129.450-138.475 121.776 0.000 121.625 -80.807 # 5 total E -8.97937E+01 rmsd from N 2.814 %NC 0.53 0 93.867 102.473 146.293 -10.912 91.421 71.386 137.710 -40.273 91.686 44.055 125.036 122.161 90.689 47.547 143.621 -94.312 89.668 43.741 122.551-113.367 90.803 50.133 156.631 -11.563 90.692 44.142 136.169-173.569 91.770 74.156 107.408 -98.423 90.509 -63.957 127.145-143.398 106.195 -69.198 180.000 180.000 99.972 -27.088 180.000 180.000 93.189 103.186 135.522-161.023 93.895 91.175 114.646 -76.664 127.215 -85.718 122.153 -77.614 95.449 89.869 180.000 180.000 130.393 -75.995 140.292-132.793 120.780-116.491 109.286-114.678 120.210-136.549 109.523-108.614 117.930-118.753 122.233-127.008 121.891 0.000 121.579 -81.051 # 6 total E -8.82537E+01 rmsd from N 2.550 %NC 0.47 0 93.868 105.617 146.422 -10.308 91.454 69.980 142.627 -50.452 91.367 41.059 80.221 -90.857 91.822 52.194 147.553 -94.951 90.089 40.856 123.711-121.459 91.009 59.712 132.023 -91.355 89.884 39.544 130.367-171.710 92.168 68.526 103.707-100.802 91.185 -64.594 138.654-138.750 108.493 -66.157 180.000 180.000 100.020 -28.671 180.000 180.000 92.893 104.802 143.373-172.879 92.644 101.412 114.372 -76.679 121.669 -87.883 118.033 -84.286 95.675 81.950 180.000 180.000 132.673 -79.313 125.037-117.097 119.351-106.213 119.766-127.946 119.115-136.911 106.745-106.375 117.966-118.762 121.855-125.888 121.900 0.000 121.570 -81.078 # 7 total E -8.78790E+01 rmsd from N 3.071 %NC 0.53 0 93.865 111.802 146.801 -10.696 91.500 76.363 131.419 -34.843 92.708 37.571 134.237 119.423 92.068 51.007 141.590 -89.508 90.207 39.605 119.479-122.656 90.938 56.434 140.103 -37.845 90.527 42.854 141.060 174.383 91.300 70.182 94.248 -76.590 91.835 -64.276 134.422-129.015 117.373 -47.469 180.000 180.000 118.430 -60.038 180.000 180.000 93.613 71.840 101.005 -64.828 93.880 116.126 114.228 -76.286 96.961 -69.033 116.714 -77.655 94.778 93.068 180.000 180.000 130.278 -64.365 137.258-155.363 119.815-113.866 108.069-114.141 121.228-138.545 110.316-108.544 117.464-118.790 124.811-131.791 121.870 0.000 121.627 -80.991 # 8 total E -8.71645E+01 rmsd from N 2.629 %NC 0.53 0 119.113-120.447 110.983 -83.073 91.640 73.189 139.669 -37.552 91.482 44.137 123.653 120.999 90.280 47.486 143.693 -93.141 89.804 44.557 119.745-123.004 90.855 45.746 151.488 -1.903 91.344 43.339 135.204-164.988 92.945 65.242 138.109-132.762 91.837 -62.009 120.586 -85.638 116.785 -73.549 180.000 180.000 118.103 -46.859 180.000 180.000 92.681 73.533 135.895-162.775 92.319 99.138 112.483 -76.287 127.450 -76.369 119.524 -86.360 95.474 76.440 180.000 180.000 127.412 -78.648 152.347-133.349 120.742-115.091 110.227-115.549 119.916-136.108 111.483-111.131 118.112-118.701 121.049-124.595 121.890 0.000 121.554 -81.067 # 9 total E -8.72422E+01 rmsd from N 2.778 %NC 0.60 0 93.713 32.975 107.673 -80.054 91.579 65.761 135.852 -54.504 91.502 60.040 124.715 118.215 89.795 49.945 143.634 -98.221 89.690 43.653 119.607-114.058 91.266 51.270 161.976 0.300 90.759 39.844 130.405-171.712 92.230 73.457 103.508 -96.585 91.005 -61.698 130.666-136.087 107.785 -68.875 180.000 180.000 101.312 -27.886 180.000 180.000 93.244 99.394 133.348-158.238 93.866 108.564 114.054 -78.979 131.184 -96.505 134.216-155.881 95.310 81.308 180.000 180.000 125.577 -66.608 132.847 -80.891 119.508-111.877 110.347-116.208 120.026-135.990 111.561-111.057 118.223-118.673 120.375-124.465 121.889 0.000 121.542 -81.072 # 10 total E -8.73736E+01 rmsd from N 2.476 %NC 0.67 0 93.865 104.771 146.509 -10.542 91.399 72.029 132.974 -42.464 92.273 41.387 133.115 117.505 91.160 49.496 142.351 -91.614 89.904 40.469 120.958-120.529 90.851 57.720 155.817 -76.931 90.378 37.797 137.386 170.213 91.673 62.544 102.718 -99.495 92.390 -67.769 132.456-122.168 117.625 -50.916 180.000 180.000 122.359 -53.940 180.000 180.000 92.698 73.823 99.046 -94.085 92.998 128.461 113.408 -77.588 118.136 -75.855 137.377-156.502 95.419 71.536 180.000 180.000 127.696 -86.672 125.247-117.321 119.661-111.202 116.719-122.848 119.283-138.245 108.548-107.721 117.155-118.734 127.518-135.653 121.823 0.000 121.638 -80.891 # 11 total E -8.85006E+01 rmsd from N 2.828 %NC 0.53 0 93.903 117.894 144.755 -11.791 91.215 87.753 131.099 1.710 90.424 49.507 138.584 109.707 89.624 46.778 145.240 -91.852 89.166 47.121 126.823-143.870 89.461 49.307 145.598 -8.364 90.224 45.610 140.950-157.756 91.719 76.735 133.397-132.657 90.394 -58.109 131.809-138.961 106.343 -71.030 180.000 180.000 100.763 -28.882 180.000 180.000 92.952 102.993 138.032-165.521 94.109 94.321 113.166 -77.074 126.150 -80.786 127.119 -78.615 96.407 81.880 180.000 180.000 128.605 -83.272 147.264 -31.768 119.999-113.165 111.159-112.641 119.788-134.854 110.195-110.401 118.302-118.700 119.517-123.749 121.892 0.000 121.546 -81.076 # 12 total E -8.95299E+01 rmsd from N 2.632 %NC 0.47 0 93.854 101.631 146.893 -11.565 91.444 73.816 139.537 -35.321 91.114 45.572 123.015 119.623 90.110 45.722 142.731 -91.509 89.684 44.912 118.287-122.995 90.421 47.366 157.451 15.125 90.745 46.436 135.143-174.967 92.016 75.854 136.438-128.587 90.312 -64.412 130.091-138.187 103.955 -68.169 180.000 180.000 99.064 -29.393 180.000 180.000 93.109 104.007 137.169-163.987 93.992 96.043 114.374 -76.820 124.195 -91.375 118.815 -77.649 94.709 84.434 180.000 180.000 131.799 -64.179 137.240-106.969 120.744-134.856 105.423-108.793 118.816-113.823 109.016-108.963 116.912-118.493 130.887-141.797 121.743 0.000 121.592 -80.754 # 13 total E -8.72895E+01 rmsd from N 3.109 %NC 0.53 0 93.710 36.217 108.216 -80.416 91.623 72.106 135.647 -42.876 91.950 43.375 128.171 121.476 91.092 49.418 143.365 -94.024 89.754 41.307 126.303-104.326 90.885 52.944 152.388 -26.350 90.677 41.165 134.945 177.937 91.718 69.752 102.841 -96.175 91.774 -65.403 132.855-125.215 115.944 -46.152 180.000 180.000 119.101 -58.857 180.000 180.000 93.550 71.945 104.031 -75.455 93.052 116.761 126.421 124.013 110.285 -65.697 126.905-134.814 94.128 79.739 180.000 180.000 125.780 -66.864 140.125-141.905 120.865-112.199 109.253-114.434 120.244-138.087 111.091-110.305 117.429-118.759 124.553-130.892 121.865 0.000 121.617 -80.987 # 14 total E -8.70455E+01 rmsd from N 2.434 %NC 0.60 0 93.799 92.798 147.381 -15.500 91.404 72.528 144.463 -42.651 89.867 54.733 119.332 121.286 88.008 49.316 141.995 -92.655 88.654 48.901 120.830-128.232 89.295 47.263 150.920 9.735 90.333 46.858 137.871-166.722 92.014 78.863 134.376-132.728 90.065 -61.980 134.360-131.165 102.971 -68.694 180.000 180.000 98.444 -28.464 180.000 180.000 93.370 105.551 136.697-163.290 94.326 104.785 115.697 -76.584 118.177 -90.891 119.856 -75.154 95.114 80.275 180.000 180.000 131.514 -71.801 130.377 -93.173 119.097-105.135 116.093-122.514 118.389-137.166 108.826-108.892 117.968-118.585 122.395-130.669 121.998 0.000 121.652 -80.926 # 15 total E -8.71517E+01 rmsd from N 3.066 %NC 0.53 0 119.137-116.821 110.327 -82.747 91.655 71.546 136.587 -39.066 91.810 43.521 128.929 120.974 90.997 48.619 143.323 -94.130 89.585 42.067 126.287-103.799 90.534 53.752 153.955 -25.158 90.468 42.207 134.257 172.967 91.482 70.976 103.560 -98.851 91.358 -63.212 131.369-133.273 112.226 -57.591 180.000 180.000 111.244 -50.461 180.000 180.000 93.198 86.100 102.485 -64.866 94.098 103.132 112.695 -76.746 120.157 -68.774 122.374 -81.362 94.806 82.179 180.000 180.000 127.437 -66.142 142.348-141.887 120.283-112.914 107.885-112.764 120.688-138.047 109.973-108.612 117.510-118.764 124.447-131.445 121.865 0.000 121.614 -80.988 # 16 total E -8.73418E+01 rmsd from N 2.273 %NC 0.60 0 93.860 106.003 146.683 -10.880 91.487 74.991 136.772 -33.708 92.184 43.247 126.779 114.928 90.992 43.835 142.353 -93.836 89.926 45.338 116.764-116.892 90.660 51.010 167.404 -0.377 90.681 45.250 142.571-177.158 91.810 73.278 108.694-102.591 90.885 -66.333 127.858-139.178 104.274 -65.026 180.000 180.000 99.785 -31.245 180.000 180.000 92.784 103.041 134.377-160.803 94.189 106.265 112.734 -77.254 124.294 -91.593 120.710 -77.918 94.942 84.717 180.000 180.000 131.002 -74.851 132.053-107.224 120.447-117.727 104.198-106.246 103.591-166.807 101.743-101.909 116.875-118.695 128.668-140.448 121.761 0.000 121.638 -80.770 # 17 total E -8.77081E+01 rmsd from N 2.990 %NC 0.60 0 118.824-152.720 111.706 -77.839 91.565 89.555 137.509 -11.316 90.838 44.358 134.446 113.777 90.181 47.019 145.516 -91.527 89.461 45.733 123.758-134.712 89.576 50.129 146.196 -12.188 90.222 43.567 141.406-160.180 91.751 74.707 133.293-133.417 90.630 -56.030 133.581-133.731 109.239 -71.017 180.000 180.000 101.606 -26.778 180.000 180.000 92.796 99.797 139.435-167.271 92.753 104.067 114.616 -78.317 120.944 -84.630 128.824-151.790 95.550 77.778 180.000 180.000 128.330 -80.443 144.868 -39.475 119.662-111.520 113.271-116.190 119.568-134.728 110.171-110.504 118.326-118.701 119.232-123.549 121.891 0.000 121.546 -81.074 # 18 total E -8.69406E+01 rmsd from N 3.471 %NC 0.53 0 115.521 161.570 145.999 -18.999 91.586 87.333 139.335 -13.742 91.379 41.770 143.237 111.091 90.872 48.520 142.071 -91.010 89.596 44.373 119.918-132.111 89.474 60.932 140.379 -34.032 89.886 42.393 141.124 170.398 91.121 73.360 92.131 -77.676 91.322 -53.762 135.621-134.008 111.676 -67.374 180.000 180.000 101.987 -31.360 180.000 180.000 92.647 100.802 109.610 -89.413 93.301 102.602 112.413 -79.468 119.735 -73.808 130.750-155.264 95.403 82.749 180.000 180.000 127.201 -71.535 151.289 -27.920 119.772-109.882 107.158-107.528 119.809-137.744 108.952-108.529 117.600-118.816 123.949-132.103 121.865 0.000 121.628 -80.978 # 19 total E -8.72269E+01 rmsd from N 2.409 %NC 0.60 0 93.927 125.861 145.787 -3.611 91.415 84.956 137.637 -32.472 91.644 46.086 123.799 100.419 90.186 43.054 150.618 -91.191 90.460 46.100 117.842-122.562 91.391 46.372 160.245 98.423 91.078 44.975 140.140-105.724 92.367 65.467 137.633-134.313 91.603 -85.926 133.299-125.668 107.503 -67.218 180.000 180.000 99.312 -28.323 180.000 180.000 93.168 103.720 143.038-171.386 93.488 100.690 114.771 -76.686 126.774 -99.775 117.280 -80.479 94.216 82.962 180.000 180.000 131.467 -64.826 128.064 -88.929 115.964-110.699 79.738 -93.297 116.931-142.379 111.866-114.061 116.353-118.045 132.702-145.509 121.654 0.000 121.571 -80.643 # 20 total E -8.74989E+01 rmsd from N 2.336 %NC 0.67 0 93.925 122.252 144.755 -7.759 91.412 84.610 130.854 -20.343 91.464 41.062 131.890 108.041 90.604 47.938 146.939 -90.683 90.417 41.843 120.541-128.724 91.306 51.612 125.131 -3.421 91.002 35.728 147.830-132.823 92.618 62.351 132.582-133.293 92.646 -58.528 130.878-121.922 122.447-141.844 180.000 180.000 121.993 -29.460 180.000 180.000 92.733 66.881 136.434-163.885 92.503 66.563 111.946 -76.157 134.237 -97.941 114.784 -82.091 95.060 95.456 180.000 180.000 131.545 -61.868 160.568 -43.573 119.022-108.443 107.473-111.510 120.391-138.453 113.065-112.537 117.478-118.299 125.530-133.377 121.852 0.000 121.458 -81.040 # 21 total E -8.77540E+01 rmsd from N 2.117 %NC 0.53 0 117.075-174.684 115.214 -81.355 91.620 89.219 131.685 -20.526 90.865 46.728 99.492 -87.988 89.785 43.635 148.299 -97.401 90.930 44.141 122.116-125.846 91.497 44.254 139.842 80.044 91.548 44.913 129.579-144.739 93.072 74.070 140.542-133.136 90.940 -68.459 141.768-139.218 105.945 -59.159 180.000 180.000 108.323 -62.190 180.000 180.000 92.675 77.387 136.758-164.820 93.418 101.376 113.089 -76.540 122.221 -84.355 123.966 -83.758 96.488 79.365 180.000 180.000 121.973 -78.706 145.579 -36.678 120.420-113.164 109.906-111.433 120.048-136.522 110.734-110.804 118.000-118.392 122.095-127.275 121.864 0.000 121.469 -81.065 # 22 total E -8.72532E+01 rmsd from N 3.018 %NC 0.60 0 93.920 119.786 144.299 -10.229 91.597 86.717 137.344 -19.153 91.208 45.653 140.811 112.210 90.254 44.790 145.584 -94.411 89.131 48.753 121.742-123.627 89.534 58.622 155.461 -16.678 89.873 39.965 140.999-168.939 91.443 68.168 101.639-108.116 91.840 -64.306 134.260-121.513 114.928 -47.430 180.000 180.000 122.228 -68.213 180.000 180.000 93.377 69.180 109.853 -96.061 92.202 115.723 118.203 132.776 93.382 -55.549 126.151-158.265 97.146 81.646 180.000 180.000 128.553 -83.360 146.800 -27.726 120.953-106.628 117.759-120.786 120.038-136.265 110.057-109.238 118.075-118.785 120.796-127.286 121.892 0.000 121.583 -81.056 # 23 total E -8.72471E+01 rmsd from N 2.692 %NC 0.60 0 93.849 94.113 146.651 -14.307 91.422 74.341 143.211-112.771 90.595 59.924 135.465 112.779 88.807 49.877 144.443 -96.950 89.116 46.276 120.770 -85.405 90.469 50.795 157.249 -3.279 90.625 42.498 134.366-162.746 91.966 75.261 103.486 -98.883 90.638 -61.822 128.366-142.774 105.577 -69.480 180.000 180.000 99.991 -28.017 180.000 180.000 93.376 104.233 136.937-163.461 94.857 96.227 114.126 -76.938 131.035 -84.276 130.107 -78.143 96.475 78.602 180.000 180.000 125.746 -80.502 139.482 -80.720 120.465-112.445 115.130-120.364 119.912-133.787 109.277-108.674 118.462-118.675 118.122-122.096 121.891 0.000 121.532 -81.081 # 24 total E -8.74751E+01 rmsd from N 2.618 %NC 0.53 0 115.479 170.167 151.516 -14.112 91.614 77.242 138.598 -40.210 91.598 44.211 123.367 120.593 90.296 47.688 144.206 -92.535 89.803 44.418 119.945-122.991 90.874 45.766 151.351 -1.278 91.369 43.504 135.194-164.641 92.951 65.280 138.558-132.643 91.846 -62.046 120.073 -84.644 116.794 -73.433 180.000 180.000 118.308 -47.280 180.000 180.000 92.671 73.073 135.778-162.647 92.272 99.284 112.519 -76.282 127.504 -76.495 119.114 -86.492 95.431 76.460 180.000 180.000 127.385 -78.360 152.798-133.031 120.769-115.335 109.993-115.258 119.948-136.114 111.607-111.267 118.125-118.696 120.978-124.430 121.889 0.000 121.553 -81.066 # 25 total E -8.70317E+01 rmsd from N 2.615 %NC 0.53 0 93.713 36.150 108.123 -80.305 91.540 69.537 137.789 -44.780 90.881 50.221 122.070 114.663 89.539 45.637 144.939 -90.544 89.830 44.426 119.059-119.441 90.226 51.734 158.649 40.747 90.235 42.407 139.139-165.343 91.874 70.604 132.065-133.636 90.799 -62.876 134.359-129.929 107.736 -67.922 180.000 180.000 102.037 -32.707 180.000 180.000 92.427 99.010 140.451-169.480 93.578 91.344 111.927 -78.934 119.220 -84.641 138.691-166.167 96.661 91.095 180.000 180.000 128.455 -81.776 146.368-130.806 121.551-115.091 109.560-113.066 119.260-136.137 112.395-113.180 118.141-118.672 120.997-124.361 121.886 0.000 121.548 -81.063 # 26 total E -8.86803E+01 rmsd from N 2.308 %NC 0.53 0 115.869 -51.103 110.231 -81.845 91.768 79.676 130.702 -30.101 91.992 43.061 97.597 -80.845 91.232 43.848 148.029-100.406 90.053 42.785 119.875-111.983 90.971 52.788 164.665 10.394 90.448 45.845 131.822-165.495 91.621 74.473 107.604-102.897 90.421 -65.079 129.912-137.890 103.277 -66.222 180.000 180.000 98.732 -31.969 180.000 180.000 92.858 104.278 139.903-168.579 94.441 102.892 113.463 -77.150 122.532 -95.058 120.191 -77.439 94.783 80.750 180.000 180.000 130.787 -69.522 128.788 -95.159 118.866-107.639 110.579-115.161 118.613-138.913 110.377-111.233 117.305-118.159 126.517-135.439 121.811 0.000 121.486 -80.908 # 27 total E -8.84376E+01 rmsd from N 2.913 %NC 0.53 0 93.710 36.864 108.353 -80.497 91.647 73.596 137.118 -39.701 91.728 44.940 126.547 120.631 90.680 46.766 145.456 -96.658 89.640 44.945 123.913-107.904 90.736 51.662 157.536 -7.505 90.588 44.136 137.243-163.189 91.796 74.434 105.854-101.042 90.589 -64.442 127.717-141.886 105.296 -66.775 180.000 180.000 98.544 -29.344 180.000 180.000 93.335 105.818 112.470-102.049 93.770 92.794 114.719 -76.947 123.678 -84.807 119.178 -78.265 94.852 87.790 180.000 180.000 132.034 -64.418 137.747-123.575 119.296-109.888 108.848-114.533 120.746-136.741 110.793-109.726 118.063-118.699 121.209-126.873 121.891 0.000 121.553 -81.070 # 28 total E -8.78101E+01 rmsd from N 3.163 %NC 0.47 0 93.940 120.391 143.295 -9.787 91.597 89.256 136.488 -11.939 91.342 41.851 140.785 113.598 90.704 49.934 140.518 -89.886 89.681 43.718 121.257-135.145 89.650 56.417 134.500 -27.449 89.867 45.950 142.145 174.050 91.299 78.621 89.808 -72.509 90.582 -58.033 137.251-130.212 105.523 -66.998 180.000 180.000 98.719 -29.245 180.000 180.000 93.349 107.219 106.571 -90.072 93.762 103.792 115.013 -76.813 114.151 -78.671 117.917 -76.672 94.909 87.096 180.000 180.000 133.068 -63.198 144.239 -54.288 119.747-106.098 101.151-100.549 117.189-139.982 108.701-109.375 117.087-118.590 128.157-139.273 121.825 0.000 121.656 -80.841 # 29 total E -8.82215E+01 rmsd from N 2.363 %NC 0.53 0 93.896 122.951 146.585 -7.888 91.504 84.535 135.537 -24.150 90.231 48.563 92.977 -82.629 90.132 41.003 154.241 -96.399 90.189 45.035 120.209-120.396 90.501 54.635 156.618 91.154 90.192 41.202 141.151-134.827 92.083 61.494 129.195-136.630 91.890 -71.041 140.074-123.003 112.542 -48.214 180.000 180.000 115.000 -72.083 180.000 180.000 92.665 68.902 145.767-177.487 93.300 119.888 115.285 -76.784 121.819 -84.580 129.147-148.531 95.730 69.025 180.000 180.000 118.735 -74.436 126.809 -52.503 119.775-154.030 110.678-111.529 122.596-108.320 125.752-127.957 118.509-118.361 114.635-118.035 121.866 0.000 121.444 -81.072 # 30 total E -8.72518E+01 rmsd from N 3.024 %NC 0.60 0 93.710 37.378 108.280 -80.449 91.635 71.953 136.095 -41.693 91.787 45.706 126.655 120.492 90.761 45.953 146.057 -97.158 89.746 46.446 122.821-106.707 90.869 48.963 159.624 -3.921 90.922 49.010 136.332-152.141 92.449 73.774 110.672-102.943 91.493 -67.966 96.539 -72.598 108.985 -52.563 180.000 180.000 92.725 -35.830 180.000 180.000 96.102 136.678 109.183 -92.782 92.758 88.315 112.790 -76.936 135.776 -90.725 118.429 -82.286 94.364 88.272 180.000 180.000 127.527 -61.478 133.428-108.731 118.755-110.296 108.749-114.817 121.204-137.176 111.642-110.612 118.046-118.588 121.360-126.733 121.885 0.000 121.518 -81.077 # 31 total E -8.80853E+01 rmsd from N 2.985 %NC 0.60 0 115.218 160.234 145.962 -21.675 91.565 88.462 137.353 -10.388 90.754 44.558 134.630 114.166 90.165 46.876 144.885 -92.465 89.466 45.784 123.684-134.393 89.588 50.114 146.302 -12.333 90.213 43.581 141.389-160.666 91.744 74.557 132.967-133.365 90.640 -56.107 133.517-133.639 109.306 -71.061 180.000 180.000 101.640 -26.719 180.000 180.000 92.797 99.790 139.443-167.257 92.754 104.104 114.623 -78.323 120.938 -84.640 128.910-152.010 95.561 77.721 180.000 180.000 128.340 -80.476 144.724 -39.429 119.642-111.469 113.395-116.336 119.578-134.665 110.150-110.471 118.338-118.701 119.140-123.433 121.891 0.000 121.545 -81.074 # 32 total E -8.81161E+01 rmsd from N 2.300 %NC 0.60 0 93.957 124.639 143.717 -4.699 91.460 85.040 139.776 -23.000 91.436 41.557 126.522 119.920 90.527 47.063 150.734 -92.451 90.725 44.734 120.424-128.006 91.160 48.378 147.160 92.852 91.176 40.497 138.171-126.712 93.302 70.207 136.225-135.287 92.020 -72.829 142.041-133.510 109.612 -45.087 180.000 180.000 115.038 -72.131 180.000 180.000 93.609 66.042 131.725-157.718 93.260 122.802 114.885 -76.962 117.716 -84.596 125.949-144.198 95.365 69.870 180.000 180.000 120.346 -82.560 127.658 -49.882 123.899-163.915 109.844-108.241 119.059-113.233 117.020-119.052 117.307-118.580 126.146-133.121 121.818 0.000 121.578 -80.916 # 33 total E -8.81204E+01 rmsd from N 2.915 %NC 0.60 0 119.109-118.147 110.721 -83.072 91.667 71.915 137.752 -38.449 91.719 44.780 126.498 120.871 90.679 46.702 145.655 -96.841 89.635 44.984 123.720-108.200 90.718 51.684 157.537 -7.710 90.577 44.035 137.177-162.908 91.800 74.462 105.806-101.041 90.583 -64.379 127.811-141.862 105.302 -66.801 180.000 180.000 98.533 -29.346 180.000 180.000 93.340 105.850 112.556-102.134 93.782 92.842 114.729 -76.947 123.705 -84.747 119.304 -78.216 94.875 87.705 180.000 180.000 131.968 -64.573 137.622-123.559 119.288-109.832 108.950-114.631 120.743-136.720 110.771-109.702 118.066-118.700 121.167-126.808 121.891 0.000 121.552 -81.070 # 34 total E -8.71568E+01 rmsd from N 2.354 %NC 0.60 0 119.750-121.686 106.763 -76.806 91.362 77.642 134.788 -24.487 93.504 35.966 176.436-178.790 92.144 49.212 140.755 -99.749 90.452 40.452 114.282-123.139 91.223 51.648 164.300 18.174 90.558 45.150 134.231-174.158 91.805 75.522 109.885 -99.597 90.246 -65.678 130.594-137.945 102.984 -66.615 180.000 180.000 98.216 -31.282 180.000 180.000 93.034 104.679 139.194-167.149 94.421 102.148 114.206 -76.968 122.806 -95.249 119.862 -77.439 94.721 80.951 180.000 180.000 130.720 -68.585 129.330 -93.716 118.852-107.098 109.774-114.159 118.251-141.144 110.550-111.692 118.362-108.532 126.947-135.522 120.746 0.000 119.035 -80.270 # 35 total E -8.75539E+01 rmsd from N 2.091 %NC 0.47 0 117.414 -92.139 147.271 -32.348 91.521 80.018 128.112 -22.042 91.480 43.968 97.448 -86.489 90.630 44.426 149.327 -95.267 90.277 43.243 117.820-122.166 91.106 48.303 155.396 32.910 90.794 44.373 131.244-153.651 92.037 71.487 137.196-133.219 90.856 -65.902 135.177-124.079 109.832 -67.116 180.000 180.000 112.368 -55.932 180.000 180.000 92.489 76.861 139.957-169.266 92.709 108.049 112.926 -76.401 123.936 -87.301 117.515 -84.712 94.757 73.881 180.000 180.000 126.830 -73.648 139.874 -63.235 119.707-111.299 108.187-110.877 119.310-137.625 111.941-112.872 117.530-118.266 124.935-131.753 121.832 0.000 121.478 -80.988 # 36 total E -8.77764E+01 rmsd from N 2.634 %NC 0.47 0 93.708 39.089 108.754 -80.852 91.805 79.402 134.035 -30.081 92.548 37.538 133.576 119.973 91.843 51.784 141.505 -89.986 90.265 39.747 119.263-125.228 90.944 53.807 138.380 -35.851 90.283 45.399 140.754-179.688 91.344 75.227 95.163 -74.296 90.206 -63.089 135.330-136.174 106.884 -70.467 180.000 180.000 100.339 -26.437 180.000 180.000 92.932 101.620 135.219-160.560 93.430 84.061 114.717 -76.651 95.584 -99.029 109.249 -83.105 94.045 136.289 180.000 180.000 132.563 -75.036 149.550 173.510 117.000-109.880 109.317-116.622 120.876-138.168 110.808-109.051 117.528-118.503 125.293-132.864 121.853 0.000 121.603 -80.974 # 37 total E -8.81055E+01 rmsd from N 2.787 %NC 0.60 0 93.878 112.546 145.944 -11.221 91.407 79.252 125.623 -26.158 92.501 36.292 147.233 114.664 92.170 55.160 138.953 -86.557 90.368 38.793 120.780-128.903 90.751 57.222 119.497 -42.627 89.869 46.391 152.688-174.288 90.907 69.805 89.906 -73.081 90.396 -69.404 138.062-127.712 112.481 -75.339 180.000 180.000 102.169 -21.180 180.000 180.000 92.937 98.785 138.563-163.445 92.958 71.551 115.378 -76.348 94.251 -95.508 108.847 -85.305 93.875 144.435 180.000 180.000 137.489 -78.556 147.439 157.663 115.758-103.636 112.895-122.662 118.557-142.099 107.025-105.448 116.825-118.444 131.347-145.139 121.718 0.000 121.610 -80.710 # 38 total E -8.72861E+01 rmsd from N 3.207 %NC 0.60 0 93.966 121.267 142.031 -8.513 91.588 89.652 138.675 -11.364 91.068 43.039 144.696 108.988 90.644 47.718 143.566 -92.318 89.624 46.969 120.511-134.595 89.536 59.174 138.704 -29.557 89.742 44.568 142.995-169.047 91.186 75.993 91.456 -75.622 90.737 -57.707 135.783-134.435 107.149 -69.527 180.000 180.000 100.282 -29.735 180.000 180.000 93.163 106.355 112.543-101.641 94.099 92.957 113.140 -77.435 121.858 -75.559 125.373 -76.477 96.175 86.801 180.000 180.000 129.934 -73.373 150.500 -28.071 119.506-108.604 107.599-107.129 120.232-136.624 108.833-108.056 117.946-118.789 121.808-129.146 121.888 0.000 121.594 -81.042 # 39 total E -8.79591E+01 rmsd from N 2.617 %NC 0.60 0 93.854 96.632 146.508 -13.378 91.392 68.930 137.313 -44.157 90.768 50.333 122.492 114.085 89.441 45.748 144.761 -89.343 89.770 44.471 118.198-121.716 90.215 51.642 158.327 40.923 90.239 42.465 139.200-165.630 91.872 70.675 132.301-133.611 90.786 -62.880 134.367-129.982 107.714 -67.965 180.000 180.000 102.012 -32.663 180.000 180.000 92.428 99.000 140.430-169.451 93.593 91.106 111.933 -78.927 119.253 -84.617 138.759-166.042 96.672 91.266 180.000 180.000 128.437 -81.697 146.919-130.464 121.565-115.151 109.482-112.973 119.270-136.214 112.347-113.106 118.089-118.684 121.313-124.840 121.885 0.000 121.552 -81.060 # 40 total E -8.81755E+01 rmsd from N 3.118 %NC 0.60 0 93.868 101.780 146.137 -11.056 91.431 70.614 135.348 -41.821 91.791 43.755 128.805 121.062 90.977 49.282 142.963 -92.880 89.711 41.639 124.527-110.438 90.853 52.782 152.463 -25.609 90.659 41.087 134.813 177.756 91.743 69.933 103.510 -96.391 91.759 -65.386 132.992-124.988 115.853 -46.232 180.000 180.000 119.053 -58.734 180.000 180.000 93.556 72.056 103.911 -75.631 93.069 116.673 126.441 124.079 110.509 -65.771 127.057-134.860 94.130 79.672 180.000 180.000 125.648 -66.679 140.440-141.351 120.906-112.194 109.272-114.486 120.234-138.193 111.023-110.195 117.401-118.801 124.736-131.188 121.866 0.000 121.622 -80.983 # 41 total E -8.80465E+01 rmsd from N 2.454 %NC 0.53 0 93.997 125.465 141.732 -3.342 91.443 90.409 137.006 -13.485 90.235 48.388 128.737 112.157 89.358 43.615 149.428 -93.028 89.684 48.635 123.705-133.183 89.847 49.161 155.842 32.682 90.398 42.934 137.286-138.103 92.396 73.106 131.691-135.646 91.202 -65.914 137.931-117.775 108.205 -56.274 180.000 180.000 115.729 -52.164 180.000 180.000 93.216 83.030 138.831-166.076 92.637 111.217 112.624 -76.756 93.733 -72.254 134.848-159.598 96.982 83.544 180.000 180.000 132.103 -89.129 139.059 -37.153 120.729-110.469 119.016-122.835 119.585-117.414 111.673-111.940 118.177-118.648 118.385-122.576 121.892 0.000 121.523 -81.088 # 42 total E -8.71937E+01 rmsd from N 2.074 %NC 0.53 0 93.847 107.695 147.315 -12.774 91.437 80.751 139.290 -32.126 90.633 49.348 127.194 95.119 89.237 46.745 143.614 -89.599 89.557 45.105 119.577-125.804 90.150 54.104 118.890 26.260 89.882 40.070 149.606-162.857 91.850 67.486 129.312-134.793 91.841 -56.363 137.092-124.192 117.457 -86.869 180.000 180.000 117.714 -60.861 180.000 180.000 92.512 69.002 137.408-167.479 94.535 87.728 112.476 -75.665 123.228 -79.112 151.953 -38.953 96.286 83.886 180.000 180.000 133.362 -68.905 157.478 -43.916 122.001-139.101 103.969-103.420 119.403-112.260 113.639-114.710 117.007-118.525 129.850-139.313 121.770 0.000 121.600 -80.808 # 43 total E -8.80708E+01 rmsd from N 2.775 %NC 0.67 0 93.844 91.902 146.549 -15.916 91.513 67.943 134.705 -55.557 91.630 60.256 124.987 117.914 89.749 50.059 144.421 -96.942 89.655 43.631 119.166-115.136 91.244 51.277 161.886 0.542 90.758 39.880 130.366-171.421 92.227 73.530 103.705 -96.586 90.996 -61.665 130.686-136.153 107.731 -68.853 180.000 180.000 101.295 -27.924 180.000 180.000 93.240 99.387 133.358-158.269 93.864 108.579 114.049 -78.974 131.172 -96.477 134.169-155.763 95.299 81.275 180.000 180.000 125.555 -66.628 132.860 -80.871 119.527-111.918 110.325-116.186 120.027-135.990 111.563-111.063 118.224-118.672 120.374-124.457 121.888 0.000 121.542 -81.071 # 44 total E -8.73737E+01 rmsd from N 2.901 %NC 0.60 0 115.447 160.875 145.604 -20.405 91.561 88.252 137.465 -10.669 91.275 42.549 140.474 112.626 90.592 48.676 143.567 -92.761 89.690 45.042 120.936-134.116 89.717 56.845 138.466 -26.042 89.761 46.235 143.871-168.538 90.974 75.841 91.444 -74.135 90.477 -58.392 135.322-133.143 107.638 -73.112 180.000 180.000 101.857 -27.478 180.000 180.000 92.976 103.008 137.691-164.472 93.874 91.836 112.965 -77.090 125.924 -78.308 127.830 -78.985 96.724 82.687 180.000 180.000 129.388 -84.914 148.793 -26.832 120.205-112.502 112.255-113.831 119.873-135.240 109.312-109.143 118.231-118.738 120.041-124.527 121.878 0.000 121.547 -81.055 # 45 total E -8.76327E+01 rmsd from N 2.149 %NC 0.60 0 93.875 123.025 147.773 -8.782 91.408 86.591 127.278 -23.244 90.974 48.904 95.532 -86.288 90.413 41.076 149.151-101.999 90.581 45.746 117.895 -32.685 91.313 45.235 136.328 85.584 91.142 47.620 130.457-142.815 92.979 73.043 138.626-138.539 91.553 -72.383 142.188 -18.441 104.705 -53.034 180.000 180.000 110.753 -66.828 180.000 180.000 93.023 76.820 137.431-165.796 93.132 109.982 114.016 -76.980 120.672 -94.331 121.620-129.682 94.832 73.467 180.000 180.000 126.173 -62.935 138.512 -67.543 120.327-153.651 106.494-108.345 124.978-109.949 115.992-114.680 118.022-118.520 120.258-125.471 121.884 0.000 121.484 -81.095 # 46 total E -8.86348E+01 rmsd from N 2.622 %NC 0.40 0 93.710 38.364 108.470 -80.566 91.647 75.565 139.854 -36.611 91.344 45.386 122.379 119.942 90.225 45.752 143.276 -92.533 89.731 44.740 119.126-121.226 90.432 47.511 157.586 15.185 90.748 46.527 135.135-174.693 92.015 75.836 136.390-128.641 90.322 -64.432 130.075-138.196 103.897 -68.080 180.000 180.000 99.054 -29.470 180.000 180.000 93.101 104.036 137.198-164.056 93.990 96.244 114.350 -76.828 124.014 -91.518 118.763 -77.663 94.698 84.346 180.000 180.000 131.884 -64.035 136.927-106.716 120.723-135.163 105.373-108.682 118.856-113.619 109.064-109.037 116.928-118.506 130.699-141.457 121.745 0.000 121.616 -80.751 # 47 total E -8.81315E+01 rmsd from N 3.123 %NC 0.60 0 93.874 105.912 146.107 -10.063 91.464 72.578 133.706 -38.693 92.393 40.053 130.810 120.888 91.716 50.069 142.465 -90.867 90.003 40.272 122.637-114.887 91.163 53.687 146.632 -33.943 90.716 41.167 138.228 177.915 91.704 69.088 103.050 -93.801 92.040 -66.674 133.219-127.268 118.462 -40.294 180.000 180.000 121.033 -62.571 180.000 180.000 93.797 66.016 104.540 -73.480 93.050 123.165 131.712 131.975 96.175 -65.459 120.598-136.370 94.562 86.762 180.000 180.000 128.138 -65.519 137.205-150.125 120.645-113.668 108.185-113.504 120.483-138.267 111.555-110.848 117.391-118.779 124.868-131.189 121.863 0.000 121.616 -80.982 # 48 total E -8.84696E+01 rmsd from N 2.901 %NC 0.60 0 119.109-113.130 109.916 -82.698 91.587 69.297 137.854 -43.601 91.980 43.780 123.823 123.238 90.900 48.091 144.259 -95.727 89.788 42.455 122.821-111.847 90.934 51.257 156.979 -15.614 90.643 42.681 136.221-173.920 91.690 72.423 105.514 -97.566 90.704 -62.367 129.423-138.507 108.767 -69.364 180.000 180.000 101.252 -26.466 180.000 180.000 92.949 99.309 136.414-162.198 92.707 99.443 114.338 -78.011 124.968 -88.215 126.506-140.003 94.845 84.064 180.000 180.000 129.030 -75.388 132.553-133.491 120.630-114.638 110.554-116.433 119.709-136.165 109.566-109.072 118.012-118.750 121.611-126.132 121.890 0.000 121.574 -81.057 # 49 total E -8.86290E+01 rmsd from N 2.614 %NC 0.47 0 115.370 169.411 151.606 -14.707 91.630 77.908 139.272 -38.477 91.461 45.249 122.054 119.742 90.246 45.909 143.988 -91.897 89.725 44.564 119.071-121.419 90.432 47.616 157.501 15.689 90.760 46.647 135.169-174.368 92.014 75.960 136.701-128.493 90.310 -64.414 130.096-138.317 103.780 -68.004 180.000 180.000 99.010 -29.590 180.000 180.000 93.094 104.038 137.212-164.123 93.986 96.384 114.322 -76.838 123.940 -91.656 118.632 -77.733 94.664 84.220 180.000 180.000 131.908 -63.754 136.801-106.173 120.740-135.629 105.260-108.500 118.876-113.494 109.100-109.090 116.933-118.509 130.641-141.339 121.746 0.000 121.616 -80.754 # 50 total E -8.78679E+01 rmsd from N 3.069 %NC 0.53 0 93.854 100.404 146.869 -12.016 91.435 72.065 136.751 -38.934 91.259 45.014 128.088 120.440 90.428 47.867 141.904 -90.498 89.509 43.789 119.765-123.023 90.270 48.112 155.065 -14.035 91.065 43.817 133.315 178.572 92.583 64.998 136.554-131.930 92.057 -61.871 121.007 -86.660 117.628 -53.372 180.000 180.000 116.847 -55.643 180.000 180.000 93.116 75.543 101.057 -62.208 92.965 112.568 114.077 -76.676 115.794 -70.109 126.283-134.426 94.017 79.583 180.000 180.000 125.328 -64.478 139.791-137.546 120.884-112.395 108.177-113.030 120.468-138.021 110.566-109.483 117.481-118.778 124.396-131.038 121.863 0.000 121.600 -80.991 # 51 total E -8.80962E+01 rmsd from N 2.691 %NC 0.60 0 93.985 124.928 142.254 -4.373 91.473 90.626 137.900 -14.393 90.304 47.807 128.542 111.886 89.263 44.392 147.292 -91.609 89.406 47.718 123.833-134.089 89.291 51.463 160.391 33.745 90.099 41.873 139.372-155.104 92.164 73.959 129.571-134.105 90.914 -58.798 135.216-132.856 105.835 -67.727 180.000 180.000 100.450 -32.815 180.000 180.000 92.615 102.384 139.598-169.096 92.728 99.110 113.426 -79.107 110.395 -80.640 131.436-171.156 97.015 85.624 180.000 180.000 129.616 -88.009 141.233 -34.663 120.884-109.489 117.864-121.298 119.617-133.317 111.515-111.715 118.753-118.565 116.181-118.778 121.874 0.000 121.497 -81.068 # 52 total E -8.74906E+01 rmsd from N 1.811 %NC 0.60 0 93.926 123.918 145.185 -6.537 91.514 87.452 137.456 -23.334 91.169 45.164 124.543 110.928 89.985 45.208 146.108 -91.173 89.986 45.660 120.976-126.512 90.260 47.558 161.286 35.109 90.686 45.237 141.617-149.848 92.055 72.014 136.361-133.736 90.645 -68.751 135.954-118.346 106.997 -60.493 180.000 180.000 112.083 -53.127 180.000 180.000 92.538 81.030 132.811-159.417 93.691 129.460 112.655 -76.620 114.813 -79.644 118.897 -80.790 94.539 65.617 180.000 180.000 126.571 -87.173 112.602 -93.599 119.175-107.506 120.745-128.076 118.132-136.348 109.254-109.917 117.961-118.758 121.889-127.359 121.881 0.000 121.588 -81.032 # 53 total E -8.73823E+01 rmsd from N 3.294 %NC 0.53 0 93.974 122.858 142.146 -7.017 91.539 88.231 138.319 -14.355 91.057 43.796 140.373 110.121 90.625 45.398 147.514 -93.681 89.835 49.674 121.894-129.357 90.441 46.359 143.656 -20.146 90.778 45.281 136.272-128.080 92.723 76.837 133.986-128.339 91.408 -62.325 102.905 -75.177 111.488 -56.973 180.000 180.000 94.067 -26.897 180.000 180.000 99.091 141.319 129.949-147.883 93.657 84.280 113.832 -78.354 133.610 -92.283 126.679 -78.999 95.723 91.785 180.000 180.000 129.430 -73.723 147.847 -38.511 118.927-109.311 111.338-113.590 120.247-135.500 108.986-108.441 118.170-118.753 120.198-126.836 121.898 0.000 121.565 -81.076 # 54 total E -8.74609E+01 rmsd from N 2.170 %NC 0.60 0 93.868 101.240 146.078 -11.319 91.371 71.675 138.816 -42.839 91.570 44.894 135.065 113.654 90.468 49.436 142.524 -92.178 89.874 41.943 121.578-121.210 90.740 54.452 154.201-101.872 90.317 40.665 140.520-176.251 91.992 71.162 107.178-100.124 90.919 -66.061 132.651-130.761 105.972 -64.241 180.000 180.000 99.760 -29.489 180.000 180.000 92.774 103.829 135.889-162.953 93.550 117.294 114.036 -76.833 116.607 -87.108 116.977 -80.027 95.248 72.384 180.000 180.000 131.336 -86.965 119.522-105.068 119.573-105.983 117.814-123.793 115.133-140.299 108.867-110.809 116.979-118.554 129.078-140.310 121.756 0.000 121.636 -80.767 # 55 total E -8.71781E+01 rmsd from N 2.460 %NC 0.47 0 93.703 41.833 109.243 -81.362 91.960 95.179 138.257 -16.975 90.638 48.243 127.432 114.639 89.553 43.274 150.035 -93.087 89.786 48.498 124.363-133.577 89.924 49.251 156.640 33.553 90.400 42.738 136.872-138.565 92.395 72.657 131.678-135.641 91.213 -66.337 137.830-117.364 108.321 -56.046 180.000 180.000 115.947 -52.597 180.000 180.000 93.220 82.680 139.022-166.342 92.635 111.416 112.666 -76.742 93.770 -72.189 134.870-159.101 96.977 83.359 180.000 180.000 131.998 -89.230 138.762 -36.899 120.688-110.503 119.307-123.209 119.632-117.002 111.714-111.976 118.221-118.630 117.922-121.893 121.880 0.000 121.519 -81.079 # 56 total E -8.77498E+01 rmsd from N 2.436 %NC 0.53 0 93.859 101.382 146.621 -11.555 91.413 71.975 138.251 -37.985 90.826 49.043 123.617 113.975 89.605 44.691 147.186 -91.881 89.993 46.022 117.602-121.727 90.839 48.802 152.942 32.177 90.548 41.888 138.528-141.667 92.149 68.121 133.453-134.799 91.499 -73.154 135.740-114.798 113.784 -47.648 180.000 180.000 125.557 -63.683 180.000 180.000 93.679 62.826 139.039-166.218 92.889 108.458 115.197 -76.557 94.902 -72.431 125.275-157.262 97.241 87.967 180.000 180.000 130.833 -82.815 157.508-139.308 121.743-115.323 108.515-111.352 119.597-134.878 114.162-115.486 118.762-118.520 117.091-118.323 121.832 0.000 121.470 -81.026 # 57 total E -8.81756E+01 rmsd from N 2.118 %NC 0.47 0 93.709 59.121 110.156 -80.819 91.654 89.162 131.657 -19.925 90.937 46.729 99.744 -89.130 89.800 43.871 148.420 -97.365 90.928 44.044 122.477-125.890 91.493 44.369 139.993 80.123 91.541 44.804 129.639-144.719 93.075 74.072 140.553-133.160 90.935 -68.433 141.775-139.217 105.944 -59.195 180.000 180.000 108.298 -62.187 180.000 180.000 92.674 77.429 136.784-164.856 93.422 101.284 113.084 -76.539 122.248 -84.360 123.991 -83.779 96.491 79.399 180.000 180.000 121.992 -78.711 145.696 -36.442 120.424-113.171 109.879-111.381 120.064-136.561 110.731-110.796 117.985-118.388 122.186-127.392 121.863 0.000 121.468 -81.064 # 58 total E -8.74470E+01 rmsd from N 3.396 %NC 0.60 0 93.943 119.901 142.918 -9.900 91.615 88.569 138.644 -13.861 91.279 42.625 145.669 108.717 90.853 47.653 142.045 -89.881 89.664 44.836 121.955-130.020 89.834 53.579 137.192 -30.877 90.345 42.147 144.368-172.732 91.759 71.477 109.971-102.047 92.138 -62.195 135.901-124.375 118.486 -39.823 180.000 180.000 120.513 -61.117 180.000 180.000 93.385 72.119 106.363 -81.187 92.940 122.833 130.541 137.053 95.120 -61.323 124.567-147.857 95.617 85.335 180.000 180.000 127.656 -73.878 152.644 -21.228 120.336-108.588 108.974-109.291 119.556-138.113 111.006-111.401 117.455-118.773 124.792-132.699 121.848 0.000 121.632 -80.954 # 59 total E -8.73173E+01 rmsd from N 2.422 %NC 0.60 0 93.847 89.533 146.198 -16.641 91.506 68.467 130.893 -61.929 91.344 65.359 130.785 106.042 89.362 47.333 145.166 -89.085 89.770 44.714 114.744-120.583 90.423 53.858 158.775 45.078 90.193 42.280 138.173-165.402 91.981 69.653 130.587-134.300 91.064 -63.316 136.075-127.739 107.774 -67.925 180.000 180.000 101.328 -32.434 180.000 180.000 92.402 100.553 141.219-170.544 94.141 91.160 112.492 -78.986 114.242 -90.553 138.212-177.772 97.070 96.636 180.000 180.000 128.251 -76.271 141.976 -63.835 121.449-118.976 106.300-108.476 119.468-135.485 112.789-113.778 118.302-118.636 120.047-123.009 121.892 0.000 121.526 -81.084 # 60 total E -8.71842E+01 rmsd from N 2.378 %NC 0.47 0 93.711 54.188 109.460 -80.509 91.657 86.246 135.700 -24.954 90.537 48.534 92.569 -84.736 90.150 41.272 155.686 -96.204 90.107 44.968 120.952-119.813 90.490 54.714 156.503 91.118 90.210 41.164 141.087-134.084 92.096 61.574 129.473-136.993 91.902 -71.076 140.052-123.512 112.551 -48.014 180.000 180.000 114.994 -72.286 180.000 180.000 92.701 68.631 145.557-177.211 93.319 120.004 115.291 -76.783 121.759 -84.478 129.060-148.326 95.692 68.867 180.000 180.000 118.912 -74.871 126.917 -52.274 120.000-155.823 110.653-111.351 122.770-108.584 124.433-126.169 118.504-118.373 114.757-118.139 121.856 0.000 121.439 -81.065 # 61 total E -8.73561E+01 rmsd from N 2.557 %NC 0.40 0 93.706 25.815 107.541 -80.954 91.527 71.460 142.056 -52.588 91.617 41.070 79.284 -91.963 91.726 52.226 147.975 -95.466 90.012 41.070 123.247-121.782 90.931 59.748 131.670 -91.422 89.875 39.630 130.519-171.503 92.165 68.462 103.849-101.231 91.203 -64.535 138.775-138.922 108.518 -66.113 180.000 180.000 100.042 -28.716 180.000 180.000 92.884 104.778 143.420-172.984 92.635 101.319 114.329 -76.692 121.729 -87.879 118.013 -84.347 95.678 81.984 180.000 180.000 132.671 -79.360 125.032-117.236 119.382-106.332 119.728-127.843 119.147-136.876 106.744-106.339 117.974-118.765 121.811-125.910 121.900 0.000 121.570 -81.079 # 62 total E -8.73250E+01 rmsd from N 2.311 %NC 0.53 0 93.707 38.715 108.409 -80.804 91.840 87.116 141.039 -24.659 91.687 41.404 125.152 121.784 90.687 46.797 151.060 -93.168 90.786 44.500 120.705-127.224 91.241 48.417 146.686 93.426 91.191 40.519 138.121-126.451 93.297 69.920 136.310-135.341 92.029 -73.058 142.033-133.927 109.659 -44.853 180.000 180.000 114.918 -72.397 180.000 180.000 93.612 65.841 131.930-158.065 93.268 122.831 114.924 -76.949 117.964 -84.304 125.910-144.234 95.349 69.790 180.000 180.000 120.220 -82.589 127.670 -49.544 123.943-164.108 109.696-107.946 119.112-113.166 117.196-119.297 117.343-118.591 125.767-132.440 121.825 0.000 121.576 -80.930 # 63 total E -8.76239E+01 rmsd from N 2.629 %NC 0.60 0 94.002 125.352 141.405 -3.350 91.432 90.429 136.523 -12.383 90.212 48.775 130.970 110.188 89.481 43.187 150.267 -94.219 89.718 49.003 123.679-133.024 90.089 49.355 154.365 26.268 90.464 41.575 136.808-133.035 92.504 72.526 130.585-135.431 91.713 -68.324 136.819-118.250 111.479 -47.532 180.000 180.000 121.616 -64.912 180.000 180.000 94.168 69.522 135.591-157.918 91.999 114.482 123.297 140.275 92.815 -61.811 124.184-155.305 96.792 77.524 180.000 180.000 129.947 -90.155 141.810 -32.000 120.535-108.461 115.050-116.541 119.788-131.705 118.014-120.472 119.063-118.371 113.620-114.861 121.838 0.000 121.447 -81.025 # 64 total E -8.71328E+01 rmsd from N 2.678 %NC 0.60 0 114.887 159.786 146.709 -23.616 91.616 88.015 139.016 -12.949 90.360 47.351 127.833 113.497 89.326 44.203 147.338 -92.441 89.465 47.639 123.491-132.418 89.332 51.647 161.077 33.640 90.087 41.658 139.062-155.294 92.174 73.764 129.213-133.986 90.937 -58.861 135.192-132.669 105.886 -67.724 180.000 180.000 100.457 -32.841 180.000 180.000 92.621 102.468 139.700-169.241 92.727 99.524 113.427 -79.116 110.348 -80.526 131.448-171.714 97.041 85.126 180.000 180.000 129.640 -88.143 140.497 -34.559 120.792-109.291 118.527-122.172 119.659-132.838 111.440-111.585 118.790-118.566 115.779-118.273 121.872 0.000 121.493 -81.066 # 65 total E -8.79378E+01 rmsd from N 3.182 %NC 0.40 0 93.929 120.590 143.863 -9.867 91.583 89.938 135.739 -13.165 90.950 44.051 136.498 111.958 90.349 47.394 140.317 -88.434 89.533 44.461 122.938-134.195 89.615 50.806 138.931 -13.188 90.066 46.140 139.539 166.732 91.704 79.180 134.410-132.445 90.509 -57.602 135.672-130.486 105.607 -67.083 180.000 180.000 98.414 -30.055 180.000 180.000 93.371 107.255 105.578 -81.495 94.171 107.462 114.804 -76.896 114.347 -78.617 120.094 -75.751 95.061 87.779 180.000 180.000 133.968 -63.381 142.253 -65.328 115.690-106.287 85.512 -92.744 117.294-139.128 109.098-109.452 117.135-118.705 127.354-137.237 121.807 0.000 121.617 -80.868 # 66 total E -8.81325E+01 rmsd from N 3.032 %NC 0.67 0 93.868 102.415 146.220 -10.935 91.435 70.406 135.684 -40.714 91.616 46.003 127.353 120.080 90.652 45.849 145.722 -95.989 89.702 46.698 120.917-112.195 90.841 48.747 159.445 -3.416 90.912 49.042 136.301-152.292 92.467 73.824 111.570-103.146 91.505 -67.940 96.513 -72.660 109.007 -52.509 180.000 180.000 92.743 -35.755 180.000 180.000 96.137 136.625 109.159 -92.759 92.775 88.305 112.785 -76.947 135.687 -90.706 118.436 -82.077 94.348 88.331 180.000 180.000 127.540 -61.395 133.808-108.423 118.786-110.271 108.755-114.867 121.167-137.219 111.587-110.536 118.020-118.593 121.534-127.038 121.884 0.000 121.522 -81.074 # 67 total E -8.83058E+01 rmsd from N 2.624 %NC 0.47 0 119.107-122.512 111.376 -83.125 91.665 74.242 140.355 -35.965 91.351 45.185 122.279 120.279 90.219 45.731 143.566 -92.529 89.719 44.759 118.878-121.455 90.412 47.540 157.697 14.701 90.741 46.388 135.109-174.229 92.018 75.811 136.353-128.725 90.321 -64.354 130.065-138.249 103.929 -68.083 180.000 180.000 99.058 -29.450 180.000 180.000 93.103 104.031 137.168-164.021 94.002 96.285 114.355 -76.828 124.059 -91.371 118.899 -77.579 94.729 84.368 180.000 180.000 131.793 -64.470 136.909-107.071 120.702-134.648 105.552-108.918 118.859-113.627 109.063-109.035 116.933-118.512 130.627-141.311 121.779 0.000 121.602 -80.792 # 68 total E -8.87124E+01 rmsd from N 2.647 %NC 0.53 0 93.872 113.542 146.381 -11.144 91.543 78.928 132.668 -29.617 92.400 37.765 135.153 118.797 91.729 51.774 141.168 -89.206 90.215 40.052 119.308-125.829 90.859 53.750 137.389 -35.753 90.242 45.446 141.191-179.933 91.334 75.328 94.720 -73.699 90.197 -62.958 135.741-135.630 106.929 -70.640 180.000 180.000 100.354 -26.303 180.000 180.000 92.943 101.680 135.141-160.432 93.420 83.652 114.785 -76.631 95.425 -98.797 109.076 -83.137 94.013 137.212 180.000 180.000 132.913 -75.133 149.298 171.264 116.948-109.770 109.485-117.013 120.888-138.293 110.777-108.939 117.488-118.729 125.582-133.320 121.854 0.000 121.607 -80.968 # 69 total E -8.87198E+01 rmsd from N 2.345 %NC 0.53 0 93.869 115.826 146.658 -11.557 91.635 80.621 134.080 -25.405 93.135 37.502 176.439 179.671 91.942 48.628 140.076 -95.689 90.489 40.857 114.028-125.185 91.166 49.773 163.113 30.795 90.738 45.653 134.727-173.166 92.116 75.873 136.758-128.647 90.220 -65.285 131.667-136.854 102.584 -66.375 180.000 180.000 98.085 -32.023 180.000 180.000 92.990 104.631 139.310-167.546 94.430 102.076 113.870 -77.063 123.304 -95.802 118.999 -77.516 94.627 80.553 180.000 180.000 130.181 -68.450 129.391 -91.458 118.999-108.006 108.665-112.592 118.489-141.325 110.896-112.085 118.329-108.290 127.278-135.615 120.710 0.000 118.930 -80.254 # 70 total E -8.74969E+01 rmsd from N 2.213 %NC 0.60 0 93.860 106.912 146.810 -11.028 91.495 76.379 137.957 -32.183 91.866 43.940 125.331 115.250 90.732 44.010 143.005 -94.082 89.901 45.207 118.344-116.649 90.522 51.224 169.661 9.865 90.608 44.958 142.362-172.979 91.810 73.504 108.992-102.920 90.778 -66.171 128.769-138.146 103.609 -64.429 180.000 180.000 99.627 -32.408 180.000 180.000 92.677 102.865 133.714-160.322 94.289 110.029 112.240 -77.373 123.638 -91.427 121.681 -77.428 95.327 84.896 180.000 180.000 131.597 -81.811 130.516-106.111 117.204-113.651 81.057 -92.135 114.598-146.848 111.748-114.910 115.882-118.030 136.193-151.875 121.598 0.000 121.574 -80.487 # 71 total E -8.79632E+01 rmsd from N 2.248 %NC 0.47 0 93.709 58.197 110.026 -80.673 91.700 87.198 133.144 -23.103 91.317 44.867 101.231 -88.575 90.179 43.951 147.577 -93.535 90.977 42.613 118.492-126.017 91.073 47.110 145.840 86.254 91.175 45.788 133.450-155.398 92.821 75.220 139.716-132.058 90.471 -65.536 139.846-143.385 101.143 -62.284 180.000 180.000 97.780 -39.462 180.000 180.000 92.621 102.125 136.913-165.132 94.022 101.206 111.628 -78.823 120.724 -96.714 131.575-148.889 95.111 83.457 180.000 180.000 125.443 -71.370 138.099 -79.955 119.737-111.449 109.626-113.324 119.658-137.459 109.590-109.493 117.791-118.263 123.215-130.225 121.833 0.000 121.455 -81.012 # 72 total E -8.77773E+01 rmsd from N 2.634 %NC 0.53 0 115.567 167.203 149.532 -15.044 91.693 79.696 133.898 -30.525 92.566 37.237 133.260 119.793 91.858 51.940 141.962 -89.641 90.254 39.680 118.997-125.691 90.921 53.898 138.419 -35.852 90.282 45.395 140.751-179.322 91.341 75.251 95.179 -74.412 90.202 -63.049 135.297-136.250 106.863 -70.460 180.000 180.000 100.337 -26.458 180.000 180.000 92.931 101.604 135.221-160.570 93.434 84.174 114.703 -76.656 95.627 -99.054 109.335 -83.063 94.059 135.954 180.000 180.000 132.444 -74.990 149.583 174.215 117.031-109.965 109.246-116.490 120.878-138.142 110.812-109.069 117.539-118.729 125.229-132.746 121.859 0.000 121.604 -80.980 # 73 total E -8.71319E+01 rmsd from N 2.480 %NC 0.60 0 114.900 160.014 146.867 -23.344 91.619 87.551 138.396 -13.549 90.418 47.496 127.929 113.894 89.404 43.708 147.817 -92.322 89.520 47.983 122.729-131.056 89.439 51.851 158.575 34.104 90.155 41.936 139.397-152.119 92.198 73.630 129.006-134.341 91.098 -59.837 135.646-131.567 106.016 -65.990 180.000 180.000 102.401 -35.211 180.000 180.000 92.658 99.222 138.657-167.570 93.297 106.125 111.228 -78.880 95.611 -84.314 127.642-179.536 96.702 91.322 180.000 180.000 130.189 -86.296 136.182 -41.542 120.616-110.900 118.636-122.641 119.467-117.426 111.040-111.170 118.122-118.675 118.904-123.467 121.893 0.000 121.533 -81.086 # 74 total E -8.92140E+01 rmsd from N 2.111 %NC 0.53 0 93.901 123.763 146.498 -7.477 91.445 88.956 131.076 -20.042 90.678 47.333 98.550 -88.314 89.754 43.363 146.559 -98.649 90.892 44.309 122.038-125.994 91.536 44.056 139.588 79.905 91.547 45.130 129.619-145.458 93.061 73.882 140.023-132.980 90.956 -68.553 141.691-139.026 105.981 -59.269 180.000 180.000 108.410 -62.083 180.000 180.000 92.675 77.382 136.759-164.775 93.412 101.104 113.076 -76.538 122.232 -84.347 123.951 -83.775 96.496 79.553 180.000 180.000 122.067 -78.659 145.722 -36.263 120.438-113.109 109.675-111.068 119.987-136.571 110.712-110.827 117.963-118.392 122.339-127.669 121.863 0.000 121.473 -81.060 # 75 total E -8.84140E+01 rmsd from N 2.063 %NC 0.67 0 93.911 124.636 146.269 -6.080 91.471 88.553 133.556 -21.832 90.631 46.741 99.017 -86.639 89.677 42.973 147.922 -99.949 90.861 44.675 120.670-127.273 91.529 43.783 139.861 85.731 91.622 45.122 130.567-137.868 93.244 74.440 140.098-133.544 91.181 -70.438 142.754-139.763 105.906 -52.960 180.000 180.000 111.863 -64.360 180.000 180.000 93.111 75.496 136.801-164.628 92.870 113.527 114.161 -76.902 121.137 -89.742 124.615-134.806 95.450 74.779 180.000 180.000 119.210 -75.438 135.882 -47.920 119.343-117.894 106.819-107.222 118.424-115.979 141.799-156.921 117.680-118.308 123.651-128.438 121.871 0.000 121.437 -81.090 # 76 total E -8.74864E+01 rmsd from N 2.627 %NC 0.47 0 93.710 38.067 108.413 -80.515 91.630 74.801 139.100 -38.483 91.478 44.344 123.736 120.702 90.279 47.546 143.430 -93.048 89.808 44.548 119.938-122.948 90.869 45.704 151.444 -1.642 91.354 43.453 135.253-165.405 92.943 65.184 138.182-132.667 91.848 -62.127 120.345 -85.336 116.839 -73.588 180.000 180.000 118.194 -46.853 180.000 180.000 92.680 73.403 135.848-162.698 92.303 99.062 112.486 -76.285 127.498 -76.507 119.362 -86.398 95.461 76.532 180.000 180.000 127.464 -78.442 152.564-133.534 120.761-115.247 110.090-115.392 119.930-136.143 111.503-111.137 118.097-118.703 121.163-124.758 121.891 0.000 121.556 -81.066 # 77 total E -8.76335E+01 rmsd from N 1.742 %NC 0.60 0 93.905 122.997 146.043 -8.074 91.550 87.786 135.061 -24.513 91.633 44.837 124.964 105.531 90.170 44.735 142.159 -88.224 89.891 46.097 118.813-125.658 90.115 47.921 157.285 40.582 90.651 48.961 143.227 178.088 92.038 74.534 136.730-132.386 90.499 -68.222 136.840-121.610 102.773 -64.626 180.000 180.000 99.434 -31.473 180.000 180.000 92.674 102.100 133.801-159.693 94.826 126.906 112.842 -77.174 95.656 -88.138 114.000 -74.957 94.538 67.843 180.000 180.000 132.908 -78.002 106.422 -63.589 117.741-103.649 123.950-132.336 118.619-135.001 109.881-110.084 118.372-118.641 118.377-123.160 121.858 0.000 121.539 -81.025 # 78 total E -8.96468E+01 rmsd from N 2.908 %NC 0.60 0 93.869 101.492 146.077 -11.094 91.400 69.721 136.864 -43.906 91.801 44.199 124.447 122.771 90.807 48.080 143.670 -94.401 89.761 42.592 121.958-114.553 90.933 51.112 156.945 -15.203 90.642 42.671 136.166-174.751 91.695 72.416 105.974 -97.539 90.697 -62.459 129.488-138.300 108.829 -69.415 180.000 180.000 101.252 -26.414 180.000 180.000 92.955 99.260 136.397-162.126 92.702 99.205 114.349 -78.009 125.076 -88.204 126.407-139.781 94.833 84.182 180.000 180.000 129.022 -75.264 132.936-133.584 120.671-114.703 110.507-116.407 119.716-136.280 109.492-108.943 117.961-118.758 121.946-126.663 121.889 0.000 121.578 -81.052 # 79 total E -8.77052E+01 rmsd from N 2.259 %NC 0.60 0 112.848 157.741 150.750 -35.359 91.965 84.641 135.022 -21.729 91.327 43.481 105.449 -85.732 90.356 44.252 148.778 -93.766 90.993 42.370 118.453-125.559 91.062 47.427 146.911 86.670 91.149 45.265 133.709-153.352 92.837 75.459 139.734-132.262 90.457 -65.203 139.706-143.216 101.148 -62.321 180.000 180.000 97.698 -39.290 180.000 180.000 92.634 102.275 136.935-165.266 94.008 101.907 111.774 -78.854 120.600 -97.051 131.295-149.591 95.158 82.921 180.000 180.000 124.980 -71.699 137.082 -81.109 119.614-111.250 110.580-114.640 119.792-137.142 109.532-109.274 117.883-118.244 122.475-129.134 121.838 0.000 121.442 -81.028 # 80 total E -8.76934E+01 rmsd from N 3.200 %NC 0.47 0 93.866 109.889 146.562 -11.230 91.524 77.864 131.672 -30.497 92.097 38.877 138.298 116.793 91.642 51.614 140.097 -88.278 90.046 39.788 119.511-126.245 90.526 58.092 132.593 -33.305 90.073 45.936 142.710 167.957 91.204 76.857 92.940 -76.965 90.716 -59.141 135.498-137.271 106.964 -67.342 180.000 180.000 99.541 -31.037 180.000 180.000 93.023 104.885 106.421 -85.517 93.322 96.269 112.948 -77.406 118.832 -75.105 117.749 -84.418 94.910 89.781 180.000 180.000 132.847 -63.940 129.420-139.850 119.578-106.864 104.450-107.371 116.652-141.500 108.791-109.562 116.755-118.487 130.579-143.114 121.732 0.000 121.633 -80.717 # 81 total E -8.86129E+01 rmsd from N 2.806 %NC 0.53 0 119.144-116.805 110.318 -82.693 91.610 71.355 138.546 -40.247 91.880 43.577 124.417 122.659 90.799 47.617 144.351 -95.657 89.701 43.509 124.025-109.224 90.815 50.365 156.604 -12.413 90.693 44.125 136.239-172.758 91.759 74.143 106.699 -98.364 90.513 -63.879 127.107-143.489 106.177 -69.179 180.000 180.000 99.977 -27.096 180.000 180.000 93.185 103.215 135.536-161.062 93.902 91.342 114.649 -76.663 127.058 -85.710 122.289 -77.569 95.471 89.834 180.000 180.000 130.456 -76.203 139.862-133.004 120.729-116.351 109.349-114.724 120.196-136.425 109.585-108.729 117.979-118.752 121.921-126.515 121.891 0.000 121.575 -81.057 # 82 total E -8.91923E+01 rmsd from N 2.094 %NC 0.47 0 93.710 62.497 110.049 -80.583 91.507 83.018 127.298 -24.336 91.531 44.238 95.398 -86.465 90.647 44.599 149.201 -95.245 90.289 43.056 117.982-122.266 91.148 48.355 155.152 32.891 90.813 44.318 131.186-154.291 92.029 71.357 137.283-133.091 90.866 -65.877 134.909-124.834 110.014 -67.487 180.000 180.000 112.469 -56.107 180.000 180.000 92.477 76.398 139.961-169.275 92.676 107.831 112.940 -76.391 124.189 -87.324 117.395 -84.830 94.748 73.952 180.000 180.000 126.778 -73.520 140.254 -62.322 119.743-111.407 107.769-110.271 119.244-137.733 111.987-112.985 117.481-118.299 125.256-132.246 121.821 0.000 121.484 -80.971 # 83 total E -8.90878E+01 rmsd from N 3.004 %NC 0.60 0 93.966 122.828 142.502 -7.115 91.530 90.380 136.905 -11.975 90.696 44.881 135.696 113.085 90.148 46.913 144.467 -91.742 89.455 45.840 123.760-135.352 89.575 50.089 145.581 -12.920 90.203 43.730 141.919-160.940 91.720 74.595 133.062-133.366 90.630 -56.006 133.566-133.615 109.404 -71.173 180.000 180.000 101.700 -26.611 180.000 180.000 92.789 99.718 139.370-167.113 92.717 103.578 114.574 -78.278 120.845 -84.623 128.740-151.109 95.550 78.298 180.000 180.000 128.582 -80.237 145.752 -39.471 119.758-111.658 112.757-115.563 119.563-135.025 110.054-110.352 118.264-118.712 119.717-124.239 121.891 0.000 121.553 -81.071 # 84 total E -8.87956E+01 rmsd from N 2.157 %NC 0.67 0 93.889 123.019 146.967 -8.052 91.322 84.571 126.198 -23.727 91.383 44.445 95.636 -86.774 90.693 44.366 149.347 -95.554 90.547 43.153 116.863-124.272 91.478 47.988 149.071 37.532 91.036 44.230 132.299-146.553 92.142 71.966 137.534-132.250 91.307 -67.304 133.636-131.747 112.719 -59.347 180.000 180.000 115.083 -62.653 180.000 180.000 93.391 66.188 139.644-167.970 93.552 112.870 109.288 61.331 119.955 -81.895 118.310 -84.054 94.504 71.797 180.000 180.000 124.904 -74.754 140.114 -55.387 119.913-111.504 107.848-109.753 119.493-137.027 112.849-113.861 117.728-118.339 123.704-130.091 121.841 0.000 121.475 -81.017 # 85 total E -8.72454E+01 rmsd from N 2.081 %NC 0.53 0 114.154 171.287 150.050-102.000 90.971 78.459 129.283 -8.200 90.207 48.545 96.378 -88.684 89.443 43.073 144.148-101.713 90.734 44.857 121.889-126.077 91.482 43.732 139.407 78.702 91.515 45.453 129.366-145.799 93.047 73.824 139.013-133.148 90.975 -68.548 141.863-137.911 106.075 -59.398 180.000 180.000 108.652 -61.918 180.000 180.000 92.682 77.281 136.688-164.624 93.392 100.700 113.073 -76.539 122.041 -84.150 123.879 -83.683 96.504 79.941 180.000 180.000 122.332 -78.420 145.857 -35.642 120.456-112.875 109.053-110.103 119.859-136.838 110.662-110.877 117.840-118.426 123.070-128.927 121.859 0.000 121.484 -81.045 # 86 total E -8.72197E+01 rmsd from N 2.693 %NC 0.53 0 93.704 41.720 109.203 -81.332 91.947 94.742 138.942 -17.336 90.675 47.725 127.436 114.247 89.440 44.076 147.911 -91.702 89.501 47.559 124.430-134.306 89.365 51.610 161.175 34.565 90.103 41.697 138.911-155.323 92.167 73.647 129.516-134.096 90.924 -59.048 135.159-132.576 105.891 -67.621 180.000 180.000 100.481 -32.932 180.000 180.000 92.604 102.358 139.788-169.374 92.732 99.361 113.375 -79.120 110.578 -80.733 131.470-171.103 97.002 85.320 180.000 180.000 129.498 -88.088 140.811 -34.693 120.835-109.462 118.113-121.624 119.635-132.910 111.541-111.761 118.805-118.543 115.712-118.116 121.877 0.000 121.496 -81.067 # 87 total E -8.69533E+01 rmsd from N 2.053 %NC 0.60 0 93.905 123.885 146.377 -6.976 91.462 88.918 131.940 -19.763 90.591 47.358 98.252 -87.201 89.769 43.031 147.240 -99.753 90.730 44.822 123.071-124.795 91.494 43.884 136.857 83.881 91.535 45.936 129.549-143.198 93.220 73.954 140.092-133.418 91.033 -69.829 143.252-141.186 105.039 -57.207 180.000 180.000 109.022 -65.084 180.000 180.000 92.788 78.643 136.942-165.352 93.499 108.342 113.161 -76.609 119.702 -97.125 130.954-107.753 95.016 78.397 180.000 180.000 121.787 -66.655 112.794-128.759 119.500-140.609 109.249-111.751 121.471-110.829 113.256-112.589 117.599-118.497 124.707-132.944 121.845 0.000 121.521 -80.998 # 88 total E -8.71601E+01 rmsd from N 2.043 %NC 0.67 0 93.863 110.729 146.628 -11.991 91.554 80.094 134.078 -28.534 92.323 43.148 132.230 106.464 91.002 44.574 140.592 -93.209 90.032 44.381 118.313-116.224 90.929 50.282 158.610 -11.210 90.635 42.876 137.440 152.576 91.320 66.161 106.491 -98.322 92.099 -72.911 131.319-117.907 118.873 -44.549 180.000 180.000 121.828 -60.407 180.000 180.000 93.397 65.090 100.748 -81.503 93.068 143.439 120.550 122.168 95.290 -68.412 124.764-158.303 94.295 66.272 180.000 180.000 126.583 -87.041 109.263-105.805 118.901-106.673 117.792-123.666 118.633-135.658 113.473-114.973 118.276-118.661 119.864-123.873 121.880 0.000 121.546 -81.053 # 89 total E -8.89830E+01 rmsd from N 2.236 %NC 0.53 0 93.901 124.222 146.687 -6.868 91.474 88.189 132.293 -23.978 91.100 45.694 99.264 -88.253 90.096 43.358 145.660 -94.931 90.962 42.924 118.056-126.348 91.116 46.646 144.688 85.831 91.201 46.349 133.206-156.592 92.815 75.029 139.375-131.891 90.487 -65.778 139.943-143.507 101.124 -62.223 180.000 180.000 97.864 -39.609 180.000 180.000 92.606 101.994 136.903-165.063 94.035 100.740 111.511 -78.798 120.758 -96.409 131.873-148.544 95.096 83.803 180.000 180.000 125.749 -71.319 138.702 -78.962 119.811-111.570 109.197-112.728 119.600-137.590 109.630-109.608 117.747-118.276 123.544-130.692 121.831 0.000 121.463 -81.004 # 90 total E -8.74294E+01 rmsd from N 3.074 %NC 0.53 0 93.853 113.337 146.155 -10.382 91.407 77.410 124.709 -32.505 93.008 35.324 144.129 116.518 92.590 53.610 140.259 -87.498 90.376 38.647 120.732-124.280 90.948 59.435 123.502 -41.913 90.058 44.495 148.980 178.331 91.374 72.869 90.762 -75.964 90.899 -63.438 138.070-134.279 108.820 -68.048 180.000 180.000 100.991 -29.283 180.000 180.000 92.809 101.850 114.321-105.214 92.746 86.296 112.281 -77.537 95.219 -87.749 109.011 -86.520 94.395 122.480 180.000 180.000 133.225 -67.338 146.923-163.989 117.055-106.021 109.144-116.977 118.338-141.772 108.109-107.296 116.748-118.475 131.289-144.329 121.728 0.000 121.630 -80.711 # 91 total E -8.75168E+01 rmsd from N 2.793 %NC 0.53 0 115.186 162.436 147.991 -19.412 91.259 85.667 130.950 5.204 90.431 49.776 137.642 111.070 89.628 46.583 145.564 -92.568 89.174 47.173 127.152-144.262 89.492 49.182 146.549 -7.060 90.250 45.580 140.250-157.075 91.748 76.786 133.342-132.575 90.390 -58.358 131.645-139.069 106.112 -70.690 180.000 180.000 100.608 -29.015 180.000 180.000 92.962 103.095 138.053-165.589 94.159 95.125 113.238 -77.067 125.928 -81.227 126.979 -78.262 96.358 81.501 180.000 180.000 128.483 -83.323 146.159 -33.132 119.914-113.095 111.660-113.307 119.796-134.329 110.352-110.612 118.407-118.672 118.714-122.607 121.890 0.000 121.534 -81.079 # 92 total E -8.83876E+01 rmsd from N 2.639 %NC 0.53 0 93.865 102.348 146.841 -11.485 91.429 73.266 138.672 -37.367 91.256 44.610 124.429 120.295 90.178 47.515 142.944 -91.977 89.772 44.690 119.423-124.271 90.857 45.632 151.277 -1.648 91.342 43.389 135.332-165.968 92.932 65.243 138.149-132.604 91.822 -62.110 120.605 -85.787 116.840 -73.779 180.000 180.000 118.093 -46.549 180.000 180.000 92.686 73.554 135.872-162.691 92.326 98.843 112.463 -76.285 127.587 -76.493 119.506 -86.332 95.474 76.611 180.000 180.000 127.496 -78.328 152.719-134.022 120.781-115.210 110.116-115.497 119.912-136.436 111.408-111.010 118.054-118.711 121.425-125.165 121.892 0.000 121.559 -81.066 # 93 total E -8.89154E+01 rmsd from N 2.755 %NC 0.53 0 93.710 38.010 108.339 -80.450 91.634 73.381 137.669 -41.093 91.877 44.219 124.830 121.639 90.733 47.158 145.904 -97.251 89.862 44.731 123.535-109.510 91.141 48.787 155.821 -7.110 90.773 44.870 136.562-154.059 91.807 73.508 107.688 -97.798 90.393 -67.880 127.382-140.632 107.207 -70.785 180.000 180.000 99.727 -23.805 180.000 180.000 93.512 103.530 135.363-159.053 93.561 87.838 116.602 -75.931 125.187 -90.342 120.715 -78.004 95.334 91.327 180.000 180.000 133.038 -74.058 140.625-128.262 120.160-112.426 110.228-116.190 120.428-136.112 110.244-109.183 118.198-118.689 120.370-124.695 121.892 0.000 121.545 -81.076 # 94 total E -8.75727E+01 rmsd from N 1.747 %NC 0.60 0 93.928 123.876 145.663 -6.896 91.536 88.350 135.144 -23.870 91.528 45.054 124.344 105.633 90.127 44.983 142.385 -87.982 89.947 45.897 119.352-126.382 90.042 48.262 157.272 43.583 90.604 49.424 143.182-179.558 92.014 74.773 136.793-132.362 90.362 -68.075 137.056-123.459 102.085 -64.874 180.000 180.000 98.857 -32.378 180.000 180.000 92.567 103.178 133.963-160.103 94.891 123.986 113.129 -77.219 104.240 -87.882 116.350 -76.000 94.705 65.839 180.000 180.000 131.805 -81.412 107.800 -60.410 117.777-104.678 124.349-132.640 118.690-134.765 110.153-110.224 118.457-118.630 117.962-122.106 121.877 0.000 121.530 -81.055 # 95 total E -8.71046E+01 rmsd from N 2.805 %NC 0.47 0 115.640 -48.129 148.355 -19.299 91.541 74.408 137.240 -42.920 91.902 43.778 124.583 122.422 90.807 47.688 144.096 -95.413 89.713 43.405 124.433-108.265 90.843 50.392 156.535 -12.608 90.702 44.228 136.302-173.482 91.747 74.084 106.633 -98.309 90.520 -63.973 127.029-143.477 106.226 -69.185 180.000 180.000 100.004 -27.074 180.000 180.000 93.176 103.176 135.572-161.098 93.877 91.187 114.638 -76.662 126.979 -85.782 122.144 -77.644 95.448 90.111 180.000 180.000 130.560 -76.033 140.046-133.491 120.739-116.539 109.216-114.590 120.217-136.456 109.582-108.703 117.950-118.751 122.092-126.771 121.890 0.000 121.577 -81.055 # 96 total E -8.78264E+01 rmsd from N 3.290 %NC 0.47 0 93.872 113.048 146.488 -10.372 91.428 76.409 125.174 -36.304 93.175 35.166 141.246 118.261 92.676 53.427 140.391 -87.649 90.299 38.513 121.234-122.844 90.959 59.833 127.171 -42.321 90.062 43.911 145.140 171.822 91.430 73.898 92.210 -77.408 90.967 -60.597 137.630-137.800 108.690 -68.338 180.000 180.000 100.494 -29.569 180.000 180.000 93.039 104.409 108.744 -89.994 93.095 89.072 112.840 -77.407 119.158 -75.926 116.056 -83.543 94.823 94.893 180.000 180.000 134.400 -63.147 133.576-146.997 119.563-109.011 107.094-112.951 118.257-141.274 108.560-108.328 116.553-118.544 131.559-143.629 121.733 0.000 121.644 -80.723 # 97 total E -8.97809E+01 rmsd from N 2.762 %NC 0.60 0 93.870 103.876 146.204 -10.541 91.421 71.584 137.477 -39.697 91.654 44.597 125.408 121.261 90.596 46.996 145.536 -96.132 89.817 45.118 121.826-113.985 91.108 48.457 155.811 -5.827 90.768 44.858 136.351-153.886 91.832 73.586 108.551 -97.900 90.387 -67.972 127.505-140.454 107.195 -70.803 180.000 180.000 99.706 -23.767 180.000 180.000 93.527 103.534 135.293-158.937 93.566 87.758 116.629 -75.922 125.350 -90.425 120.606 -77.964 95.316 91.199 180.000 180.000 132.967 -73.892 140.931-127.508 120.196-112.330 110.270-116.256 120.419-136.187 110.212-109.115 118.171-118.692 120.550-125.004 121.891 0.000 121.548 -81.074 # 98 total E -8.72116E+01 rmsd from N 2.005 %NC 0.67 0 93.987 126.029 142.594 -2.537 91.454 89.543 135.743 -18.006 91.160 46.916 126.101 98.387 90.055 44.702 147.829 -91.061 90.079 46.656 121.594-128.506 90.283 50.504 158.745 39.991 90.409 41.778 145.208-129.804 92.072 68.766 131.683-135.350 91.125 -60.937 136.493-118.419 113.760 -63.519 180.000 180.000 101.070 -21.978 180.000 180.000 93.262 94.981 95.821 -83.452 122.124 144.215 118.183 -80.583 94.865 -75.328 113.541 -77.411 93.408 64.553 180.000 180.000 129.294 -76.929 88.597 -63.991 118.026-105.257 125.050-132.914 120.417-115.944 109.285-109.229 118.484-118.554 114.372-118.519 121.873 0.000 121.495 -81.066 # 99 total E -8.72045E+01 rmsd from N 2.497 %NC 0.53 0 93.702 41.686 109.222 -81.336 91.943 93.972 138.433 -17.622 90.719 47.848 127.618 114.699 89.514 43.601 148.337 -91.737 89.549 47.901 123.655-132.761 89.469 51.860 158.763 34.384 90.164 41.951 139.255-152.210 92.187 73.446 129.204-134.375 91.086 -60.027 135.551-131.407 106.076 -65.908 180.000 180.000 102.491 -35.264 180.000 180.000 92.646 99.069 138.788-167.755 93.311 105.928 111.209 -78.869 95.689 -84.653 127.678-179.024 96.645 91.695 180.000 180.000 130.006 -86.249 136.560 -41.587 120.651-111.061 118.334-122.256 119.438-117.420 111.119-111.300 118.116-118.671 118.959-123.505 121.893 0.000 121.533 -81.085 # 100 total E -8.73846E+01 rmsd from N 2.069 %NC 0.60 0 93.709 57.138 110.016 -80.732 91.710 88.583 134.196 -21.589 90.895 46.041 100.579 -87.246 89.744 43.529 150.103 -98.587 90.881 44.371 121.133-127.086 91.484 44.176 140.446 85.871 91.604 44.713 130.565-137.264 93.256 74.640 140.647-133.799 91.157 -70.281 142.830-139.805 105.893 -53.013 180.000 180.000 111.737 -64.418 180.000 180.000 93.108 75.599 136.849-164.736 92.880 113.648 114.162 -76.902 121.107 -89.725 124.625-134.836 95.447 74.678 180.000 180.000 119.233 -75.411 135.946 -48.214 119.329-117.938 107.070-107.635 118.492-115.975 141.753-156.762 117.674-118.301 123.692-128.445 121.865 0.000 121.420 -81.090 # 101 total E -8.69698E+01 rmsd from N 2.854 %NC 0.47 0 115.537 170.924 151.677 -13.597 91.634 76.793 137.641 -40.867 91.336 45.918 126.891 119.881 90.196 47.959 143.395 -91.311 89.465 43.401 119.567-123.940 90.126 49.595 155.028 -8.083 90.652 43.375 134.942 179.981 91.896 70.765 135.299-132.618 91.187 -62.440 134.146-120.224 111.583 -61.063 180.000 180.000 114.354 -51.856 180.000 180.000 92.719 79.981 105.329-100.437 93.300 105.054 112.331 -77.206 124.797 -73.076 121.484 -84.078 94.716 79.735 180.000 180.000 126.157 -65.143 151.337-125.608 120.247-112.302 107.482-111.892 120.660-137.240 111.569-110.749 117.836-118.774 122.657-128.548 121.887 0.000 121.589 -81.043 # 102 total E -8.71202E+01 rmsd from N 2.745 %NC 0.47 0 93.906 121.866 145.512 -9.571 91.621 90.289 137.637 -13.596 90.386 46.822 92.053 -80.040 89.934 44.399 145.483-100.996 89.037 50.538 126.217-127.611 89.426 54.913 153.718 -22.460 89.751 40.665 135.863-160.248 91.790 74.526 105.216-107.658 90.679 -58.430 134.432-133.646 106.971 -69.825 180.000 180.000 100.631 -25.885 180.000 180.000 93.329 105.911 141.177-170.327 94.419 111.357 115.208 -76.430 117.264 -93.004 140.979 -39.061 95.457 73.970 180.000 180.000 129.355 -72.629 111.614 -55.561 116.564 -99.373 125.999-135.059 118.603-138.098 107.845-107.195 117.815-118.361 122.931-131.716 121.826 0.000 121.500 -80.973 # 103 total E -8.77749E+01 rmsd from N 1.925 %NC 0.53 0 93.861 116.999 147.098 -12.442 91.564 84.042 136.256 -26.616 91.527 44.668 124.653 109.424 90.260 44.450 142.707 -89.359 89.935 45.142 118.659-123.199 90.211 48.437 161.730 36.539 90.635 47.235 143.196-177.097 91.913 74.297 135.834-130.939 90.445 -67.242 132.568-132.265 102.993 -65.011 180.000 180.000 99.495 -33.553 180.000 180.000 92.559 101.875 134.058-160.575 94.675 115.663 111.660 -77.483 120.368 -89.089 121.787 -79.798 95.395 71.152 180.000 180.000 129.635 -88.479 114.184 -99.610 118.996-108.026 120.560-128.096 117.951-137.652 108.815-109.169 117.429-118.737 125.388-132.597 121.846 0.000 121.621 -80.945 # 104 total E -8.74625E+01 rmsd from N 1.751 %NC 0.67 0 93.970 126.301 143.630 -2.535 91.461 89.367 134.976 -20.405 91.389 44.396 124.057 103.377 89.985 46.692 144.645 -90.085 90.124 46.061 121.055-129.804 90.610 45.916 153.920 36.514 91.031 44.416 143.342-146.986 92.273 72.017 137.803-133.697 91.198 -71.465 136.280-115.204 111.406 -53.010 180.000 180.000 117.324 -61.972 180.000 180.000 93.434 65.690 131.372-156.187 93.027 145.196 111.083 108.611 95.237 -69.736 118.091-151.566 93.872 62.322 180.000 180.000 124.285 -87.015 104.888 -57.512 118.611-105.113 120.494-125.719 119.238-131.764 113.855-115.816 118.837-118.460 114.498-117.212 121.851 0.000 121.476 -81.035 # 105 total E -8.77721E+01 rmsd from N 3.220 %NC 0.53 0 93.951 121.718 142.998 -8.451 91.556 89.410 136.116 -13.007 90.865 44.323 138.512 110.847 90.456 46.963 143.781 -90.694 89.713 46.089 122.895-133.164 89.976 48.569 139.721 -15.436 90.562 47.690 141.895-155.369 92.240 80.986 134.395-124.404 90.924 -61.511 102.216 -76.151 108.707 -52.847 180.000 180.000 92.524 -35.525 180.000 180.000 94.876 145.956 107.373-100.350 92.935 96.232 112.816 -76.614 131.646 -90.115 119.958 -83.715 94.728 87.297 180.000 180.000 129.384 -62.470 138.165 -60.160 118.661-106.961 103.421-104.453 118.223-138.554 109.427-110.110 117.355-118.597 126.095-135.296 121.825 0.000 121.588 -80.922 # 106 total E -8.72589E+01 rmsd from N 2.559 %NC 0.60 0 115.328 162.801 147.716 -18.568 91.317 85.605 127.401 5.429 90.451 52.344 137.200 112.574 90.146 47.515 146.582 -93.857 89.468 44.542 127.712-144.215 89.748 51.440 145.358 -10.231 90.300 46.264 142.615-154.168 91.504 75.908 133.336-132.301 90.502 -56.805 129.586-140.077 107.491 -70.220 180.000 180.000 101.081 -28.439 180.000 180.000 92.643 101.070 139.381-167.672 93.090 106.982 113.669 -77.664 115.780 -89.478 128.094-143.164 94.900 80.354 180.000 180.000 128.263 -79.787 114.151-133.516 119.688-114.910 113.999-118.447 119.192-116.057 110.428-110.921 117.866-118.729 121.133-126.993 121.889 0.000 121.563 -81.062 # 107 total E -8.82243E+01 rmsd from N 2.989 %NC 0.53 0 93.702 41.770 109.324 -81.454 91.976 95.323 137.787 -15.598 91.070 45.092 134.326 115.347 90.277 46.547 145.283 -91.991 89.507 45.862 124.422-135.827 89.611 49.996 146.842 -12.014 90.229 43.656 141.071-160.932 91.737 74.410 133.123-133.293 90.625 -56.440 133.368-133.467 109.260 -70.968 180.000 180.000 101.645 -26.757 180.000 180.000 92.786 99.696 139.392-167.176 92.739 104.044 114.577 -78.316 121.039 -84.865 128.650-151.319 95.517 77.919 180.000 180.000 128.355 -80.369 144.775 -40.201 119.679-111.614 113.287-116.294 119.585-134.587 110.153-110.467 118.355-118.703 119.012-123.214 121.891 0.000 121.543 -81.075 # 108 total E -8.71106E+01 rmsd from N 2.786 %NC 0.53 0 93.704 38.431 108.907 -81.060 91.706 79.348 126.627 -26.691 92.732 35.811 146.940 115.717 92.207 55.402 138.840 -87.014 90.381 38.663 119.512-129.933 90.770 57.395 119.279 -43.290 89.871 46.432 152.742-174.459 90.922 69.805 89.940 -73.322 90.407 -69.147 138.174-128.132 112.373 -75.167 180.000 180.000 102.119 -21.311 180.000 180.000 92.924 98.905 138.636-163.544 92.937 71.832 115.396 -76.326 94.211 -95.438 108.869 -85.451 93.899 144.345 180.000 180.000 137.334 -78.807 147.330 158.063 115.782-103.767 112.818-122.434 118.566-142.082 106.960-105.393 116.824-118.437 131.313-145.075 121.765 0.000 121.588 -80.781 # 109 total E -8.75850E+01 rmsd from N 2.588 %NC 0.60 0 93.930 121.243 143.948 -9.027 91.198 87.938 131.096 -0.643 90.457 49.095 136.499 111.124 89.947 47.038 148.814 -94.906 89.759 45.837 127.062-140.859 90.519 48.119 142.622 -7.679 90.789 42.428 138.420-134.172 92.307 74.906 135.012-135.036 91.549 -63.201 135.311-118.886 115.018 -49.557 180.000 180.000 121.011 -56.620 180.000 180.000 93.626 69.711 140.587-166.956 92.445 127.357 122.467 130.993 94.871 -70.004 120.904-148.058 94.788 73.969 180.000 180.000 128.174 -81.781 137.143 -49.129 119.954-111.842 112.117-114.125 119.369-116.024 117.692-120.754 118.169-118.600 118.205-122.547 121.888 0.000 121.509 -81.088 # 110 total E -8.77830E+01 rmsd from N 2.477 %NC 0.53 0 93.856 98.303 146.495 -12.627 91.399 70.314 138.007 -41.581 90.715 50.427 124.105 112.382 89.408 45.661 145.898 -91.379 89.782 45.579 117.961-122.162 90.612 49.705 151.199 30.538 90.437 41.468 138.190-153.275 92.096 67.763 132.847-134.684 91.301 -67.340 135.812-114.521 113.010 -62.576 180.000 180.000 119.043 -52.358 180.000 180.000 92.929 73.944 140.169-168.919 93.649 96.080 112.991 -76.236 115.955 -69.616 154.047 -90.495 97.089 80.715 180.000 180.000 131.286 -85.775 156.835-132.316 121.548-113.915 109.595-112.713 119.309-135.894 113.516-114.662 118.432-118.606 119.287-121.382 121.881 0.000 121.519 -81.069 # 111 total E -8.74192E+01 rmsd from N 2.641 %NC 0.53 0 119.273-129.350 110.882 -81.029 91.706 77.649 134.398 -29.210 92.531 37.172 133.388 119.882 91.844 51.786 141.802 -89.861 90.239 39.846 118.917-125.581 90.900 53.878 138.486 -35.801 90.270 45.316 140.762-179.322 91.342 75.193 95.159 -74.352 90.212 -63.040 135.340-136.134 106.921 -70.498 180.000 180.000 100.365 -26.427 180.000 180.000 92.938 101.602 135.196-160.508 93.448 84.272 114.684 -76.659 95.700 -99.052 109.573 -82.936 94.096 135.444 180.000 180.000 132.250 -74.936 149.683 175.263 117.088-110.058 109.241-116.424 120.888-138.092 110.745-108.993 117.540-118.726 125.213-132.738 121.858 0.000 121.604 -80.979 # 112 total E -8.72062E+01 rmsd from N 1.832 %NC 0.60 0 93.854 107.949 147.076 -11.849 91.539 78.914 136.245 -28.959 91.724 44.567 127.237 111.378 90.454 44.067 141.580 -92.546 89.890 46.003 117.560-120.493 90.276 49.155 169.308 22.787 90.595 50.153 142.085-177.114 92.113 73.580 118.124-107.204 91.222 -68.560 91.393 -72.843 101.135 -61.923 180.000 180.000 100.159 -30.032 180.000 180.000 92.631 104.557 134.210-160.194 93.499 128.349 113.394 -76.783 93.978 -83.609 111.685 -79.412 94.521 68.046 180.000 180.000 135.534 -77.210 111.701 -87.956 118.218-102.132 121.946-130.085 117.234-136.159 109.612-110.632 118.055-118.733 120.843-127.253 121.879 0.000 121.578 -81.032 # 113 total E -8.87927E+01 rmsd from N 2.100 %NC 0.53 0 116.767-178.156 115.022 -81.697 91.519 85.097 127.172 -26.759 91.622 43.949 94.975 -85.367 90.701 44.680 149.556 -94.953 90.305 42.907 117.656-122.546 91.171 48.410 155.217 32.943 90.823 44.247 131.084-154.380 92.031 71.375 137.470-133.017 90.865 -65.889 134.820-125.251 110.016 -67.519 180.000 180.000 112.451 -56.123 180.000 180.000 92.477 76.361 139.931-169.232 92.676 107.863 112.940 -76.390 124.247 -87.290 117.398 -84.850 94.745 73.930 180.000 180.000 126.731 -73.549 140.234 -62.424 119.746-111.382 107.837-110.370 119.235-137.721 111.975-112.971 117.494-118.308 125.195-132.169 121.821 0.000 121.485 -80.972 # 114 total E -8.71947E+01 rmsd from N 3.209 %NC 0.47 0 93.871 113.069 145.728 -14.448 91.722 88.331 137.204 -14.171 91.954 41.966 175.528 177.703 89.725 48.831 132.880 -86.784 89.093 53.824 117.688-135.002 88.558 58.428 118.531 -52.788 89.468 43.093 152.661-174.764 91.731 72.962 88.524 -68.996 91.041 -57.987 145.472-121.641 108.866 -71.129 180.000 180.000 101.825 -23.595 180.000 180.000 93.461 107.209 135.382-160.635 93.319 93.761 115.030 -76.175 112.815 -86.237 119.680 -72.778 95.956 93.544 180.000 180.000 134.838 -76.088 155.192 -28.405 120.892-108.826 104.875-103.844 118.296-138.636 107.648-107.825 117.388-118.781 126.529-136.339 121.846 0.000 121.634 -80.939 # 115 total E -8.86438E+01 rmsd from N 2.083 %NC 0.67 0 112.378 156.768 150.197 -39.892 91.997 84.004 132.582 -20.458 91.404 42.770 102.021 -84.327 90.551 45.161 150.345 -94.416 90.344 43.220 118.108-125.921 90.886 49.085 151.382 39.158 90.410 43.226 129.959-154.510 91.796 70.801 136.758-137.936 90.939 -66.110 141.169 -41.024 110.831 -68.979 180.000 180.000 113.087 -60.483 180.000 180.000 92.459 71.374 139.801-169.464 92.574 105.568 113.198 -76.340 128.788 -86.262 117.049 -86.993 94.996 72.740 180.000 180.000 124.226 -76.149 140.760 -57.037 119.822-112.274 109.110-111.771 119.580-137.450 112.191-112.910 117.576-118.315 124.674-130.922 121.856 0.000 121.497 -81.020 # 116 total E -8.83451E+01 rmsd from N 2.081 %NC 0.47 0 114.341 172.044 150.491-103.455 91.045 74.730 127.471 -16.876 90.932 45.176 93.306 -84.878 90.508 43.620 146.489 -97.548 90.296 43.659 117.257-122.580 91.113 47.942 155.737 31.175 90.753 44.903 131.185-155.530 91.993 71.242 136.294-133.246 90.854 -66.355 135.422-121.176 109.764 -67.118 180.000 180.000 112.511 -54.730 180.000 180.000 92.510 77.823 140.049-169.265 92.718 107.959 112.849 -76.411 123.748 -87.724 117.432 -84.522 94.714 74.263 180.000 180.000 127.258 -72.967 139.842 -65.116 119.743-111.073 107.736-110.378 119.089-137.874 111.861-112.917 117.444-118.307 125.534-132.849 121.776 0.000 121.456 -80.942 # 117 total E -9.02355E+01 rmsd from N 2.095 %NC 0.53 0 93.879 122.540 147.437 -8.679 91.373 84.314 126.970 -25.830 91.414 44.416 94.450 -85.485 90.671 44.439 148.604 -95.354 90.321 43.021 117.626-122.687 91.193 48.302 155.156 32.915 90.817 44.337 131.147-154.823 92.020 71.249 137.181-132.956 90.876 -65.955 134.734-125.113 110.082 -67.617 180.000 180.000 112.531 -56.053 180.000 180.000 92.476 76.307 139.966-169.266 92.667 107.764 112.938 -76.388 124.285 -87.356 117.352 -84.866 94.740 73.996 180.000 180.000 126.771 -73.495 140.340 -62.254 119.755-111.381 107.703-110.184 119.207-137.758 111.982-113.004 117.474-118.311 125.323-132.375 121.819 0.000 121.487 -80.968 # 118 total E -8.77879E+01 rmsd from N 2.770 %NC 0.47 0 93.824 98.738 148.423 -13.757 91.605 77.612 131.076 -33.145 92.279 42.520 174.454 175.076 90.433 54.879 131.221 -83.992 89.718 46.196 118.641-133.371 89.500 61.402 108.976 -55.667 89.613 47.421 157.993-179.608 91.293 71.857 87.300 -74.315 90.993 -60.862 144.088-131.168 109.713 -70.950 180.000 180.000 102.069 -26.553 180.000 180.000 92.540 102.043 138.777-165.920 92.887 77.421 113.592 -76.886 93.470 -94.423 108.855 -85.745 93.939 151.817 180.000 180.000 138.777 -82.933 143.718 145.787 116.033-104.560 116.651-128.380 120.666-141.948 106.178-102.989 116.828-118.706 130.876-143.984 121.779 0.000 121.664 -80.793 # 119 total E -8.76755E+01 rmsd from N 2.756 %NC 0.60 0 93.886 114.227 145.256 -13.011 91.287 85.371 130.495 -3.705 91.380 42.850 140.667 114.984 90.240 52.946 139.418 -88.626 89.292 46.033 122.969-139.984 89.364 54.164 131.210 -30.535 89.849 46.187 146.674-173.813 91.365 79.167 89.200 -68.825 90.355 -58.932 138.448-125.356 105.652 -69.398 180.000 180.000 99.969 -25.268 180.000 180.000 93.381 104.090 132.546-156.099 93.219 105.837 115.666 -76.164 95.913 -89.229 113.993 -75.187 95.009 95.060 180.000 180.000 136.254 -70.292 143.073 -63.440 120.033-106.525 106.605-108.497 117.396-138.619 107.879-108.637 117.494-118.660 125.862-135.812 121.826 0.000 121.611 -80.911 # 120 total E -8.88539E+01 rmsd from N 2.103 %NC 0.60 0 112.146 157.365 151.828 -39.527 92.040 82.497 131.140 -25.465 91.804 42.250 101.496 -83.021 91.003 44.798 150.273 -95.268 90.391 42.667 117.724-121.684 91.194 48.524 156.327 34.123 90.831 44.422 131.186-152.826 92.078 71.848 137.849-133.201 90.832 -66.137 135.583-123.727 109.308 -66.243 180.000 180.000 111.961 -55.568 180.000 180.000 92.517 78.044 139.919-169.190 92.792 108.551 112.887 -76.429 123.440 -87.331 117.751 -84.447 94.769 73.709 180.000 180.000 126.912 -73.847 139.005 -65.570 119.631-111.215 108.929-111.974 119.463-137.387 111.888-112.689 117.642-118.278 124.156-130.457 121.830 0.000 121.465 -81.001 # 121 total E -8.81564E+01 rmsd from N 2.845 %NC 0.67 0 93.855 94.792 146.364 -13.845 91.419 74.245 142.337-106.752 90.674 58.746 135.849 113.344 89.126 50.177 144.408 -96.587 89.215 44.790 122.842 -93.308 90.541 52.152 156.043 -9.874 90.516 40.806 134.785-166.845 91.869 73.203 102.070 -98.059 90.861 -59.298 130.786-137.511 109.004 -70.203 180.000 180.000 101.287 -26.341 180.000 180.000 93.079 100.021 139.090-166.431 93.350 105.633 115.335 -78.736 126.095 -87.274 133.125-160.505 95.773 74.662 180.000 180.000 124.054 -79.683 132.406 -93.181 119.971-110.544 116.988-122.881 119.581-134.192 109.233-108.844 118.404-118.697 118.516-122.823 121.891 0.000 121.543 -81.076 # 122 total E -8.75581E+01 rmsd from N 2.141 %NC 0.67 0 93.896 118.300 145.438 -10.857 91.565 83.196 132.442 -16.644 92.673 37.137 176.423-179.238 91.440 51.602 141.195 -96.542 90.453 41.530 115.773-131.031 91.048 49.594 151.867 36.025 90.463 41.990 133.919-161.896 91.890 71.651 136.470-136.626 90.916 -65.770 140.775 -45.181 111.139 -71.140 180.000 180.000 112.715 -58.521 180.000 180.000 92.530 72.706 139.942-169.377 92.660 104.989 113.100 -76.353 128.794 -87.397 117.713 -86.906 95.059 72.972 180.000 180.000 124.786 -74.689 140.944 -58.138 119.514-111.319 108.546-111.277 119.621-142.304 112.163-112.895 118.775-105.454 125.298-131.321 120.362 0.000 118.289 -79.950 # 123 total E -8.76204E+01 rmsd from N 2.876 %NC 0.47 0 93.702 41.933 109.387 -81.509 91.995 97.504 137.491 -14.335 90.900 46.151 135.380 113.959 90.065 45.939 145.326 -92.054 89.392 47.206 125.515-138.962 89.466 49.345 146.138 -8.907 90.202 45.356 140.852-158.526 91.733 76.417 133.129-132.567 90.430 -58.222 131.867-138.661 106.427 -71.038 180.000 180.000 100.791 -28.704 180.000 180.000 92.981 103.189 137.995-165.416 94.188 94.586 113.261 -77.064 126.069 -80.645 127.653 -78.061 96.463 81.562 180.000 180.000 128.595 -83.613 146.384 -31.868 119.874-112.891 111.929-113.568 119.791-134.495 110.194-110.406 118.379-118.684 118.921-122.929 121.888 0.000 121.535 -81.077 # 124 total E -8.70608E+01 rmsd from N 2.775 %NC 0.67 0 115.829 174.979 152.225 -12.186 91.715 74.794 131.835 -65.653 91.855 59.261 123.645 119.187 89.818 49.838 145.503 -96.934 89.688 43.488 119.691-113.668 91.264 51.400 162.143 0.125 90.756 39.751 130.164-170.931 92.234 73.480 103.321 -96.431 91.005 -61.640 130.700-136.113 107.729 -68.819 180.000 180.000 101.313 -27.993 180.000 180.000 93.239 99.392 133.407-158.385 93.900 108.901 114.023 -78.993 131.206 -96.622 134.363-156.312 95.334 81.175 180.000 180.000 125.501 -66.755 132.341 -80.833 119.466-111.793 110.489-116.358 120.069-135.886 111.618-111.130 118.283-118.662 119.986-123.836 121.888 0.000 121.536 -81.074 # 125 total E -8.77464E+01 rmsd from N 2.832 %NC 0.53 0 93.854 101.283 146.924 -11.968 91.463 75.107 139.275 -33.743 90.825 46.067 127.731 119.088 89.871 47.940 141.842 -90.870 89.420 44.375 119.908-126.095 90.141 47.622 152.347 -5.605 91.057 43.515 134.182-179.675 92.754 65.275 136.525-132.690 91.983 -57.622 120.357 -83.074 116.986 -64.834 180.000 180.000 118.216 -56.979 180.000 180.000 92.650 70.453 102.716 -98.620 92.953 106.634 112.943 -77.126 127.054 -71.575 120.880 -87.290 94.697 77.154 180.000 180.000 124.314 -63.392 154.551-126.188 120.196-111.328 107.693-112.043 120.626-137.424 111.937-111.051 117.729-118.763 123.288-129.296 121.882 0.000 121.591 -81.032 # 126 total E -8.93115E+01 rmsd from N 2.922 %NC 0.60 0 93.865 103.380 146.414 -10.866 91.437 71.996 136.795 -38.528 91.538 45.238 127.228 120.223 90.563 46.662 145.077 -95.539 89.594 45.250 122.293-112.308 90.700 51.452 157.456 -6.911 90.573 44.067 137.106-163.455 91.811 74.515 106.451-101.168 90.578 -64.408 127.863-141.816 105.295 -66.810 180.000 180.000 98.518 -29.322 180.000 180.000 93.349 105.834 112.420-101.835 93.781 92.694 114.747 -76.938 123.805 -84.768 119.143 -78.190 94.845 87.796 180.000 180.000 131.947 -64.335 137.997-123.355 119.346-109.879 108.868-114.587 120.719-136.813 110.731-109.633 118.034-118.705 121.406-127.197 121.890 0.000 121.557 -81.067 # 127 total E -8.73640E+01 rmsd from N 2.464 %NC 0.60 0 93.893 117.214 145.334 -12.359 91.277 86.620 128.020 -2.655 90.455 49.886 137.822 112.541 90.141 48.840 146.168 -92.975 89.644 44.572 126.142-139.357 90.074 48.695 140.838 -15.327 90.854 46.559 140.848-146.416 92.371 68.387 136.936-132.260 91.545 -56.639 113.668 -79.981 114.095 -72.375 180.000 180.000 117.168 -41.898 180.000 180.000 92.507 79.814 140.026-168.433 91.880 112.420 112.836 -76.865 112.832 -81.571 122.076-136.982 94.678 74.819 180.000 180.000 127.735 -81.614 118.763-134.018 120.194-113.941 115.014-119.572 119.258-116.393 110.919-111.391 117.903-118.717 120.845-126.365 121.890 0.000 121.560 -81.067 # 128 total E -8.71636E+01 rmsd from N 2.108 %NC 0.53 0 93.863 118.458 147.138 -12.654 91.347 86.621 130.120 -6.501 90.110 50.579 91.235 -87.206 89.692 44.172 148.135 -97.140 89.679 44.844 123.963-133.212 90.209 49.202 155.450 24.469 90.368 45.635 128.205-161.901 92.034 77.509 134.626-132.608 90.273 -60.683 135.506-132.603 103.323 -67.820 180.000 180.000 98.730 -32.277 180.000 180.000 92.836 103.305 139.164-168.002 93.691 115.213 114.098 -78.201 114.544 -92.860 123.393-147.867 95.110 69.108 180.000 180.000 128.814 -75.957 109.142 -50.467 116.318-101.396 131.338-142.228 120.541-136.491 108.821-107.522 118.295-118.120 118.319-122.852 121.831 0.000 121.404 -81.037 # 129 total E -8.73606E+01 rmsd from N 2.807 %NC 0.67 0 93.968 124.155 142.887 -5.450 91.532 88.586 137.488 -16.656 91.116 44.813 133.184 115.023 90.541 45.959 148.388 -98.176 89.833 46.784 124.955-123.906 90.530 52.087 151.298 -11.838 90.511 40.190 138.063-142.956 92.197 72.974 105.622-100.736 91.752 -65.560 134.892-123.262 113.622 -50.417 180.000 180.000 121.225 -55.954 180.000 180.000 93.932 72.134 137.781-161.566 92.188 121.546 123.047 136.329 93.810 -65.479 123.135-153.291 95.438 75.367 180.000 180.000 129.067 -85.451 141.608 -40.115 120.862-107.919 113.950-115.659 119.643-132.244 117.539-120.224 118.928-118.451 114.577-116.525 121.853 0.000 121.466 -81.043 # 130 total E -8.71799E+01 rmsd from N 2.602 %NC 0.47 0 93.937 124.318 144.714 -5.999 91.534 89.349 135.640 -21.276 91.402 44.676 127.386 103.211 90.142 46.191 142.627 -90.630 89.682 45.556 120.442-129.106 90.065 48.405 156.790 16.597 90.578 43.932 143.723 179.111 91.899 72.276 134.626-131.871 90.759 -63.042 132.183-131.113 108.487 -69.388 180.000 180.000 101.149 -27.725 180.000 180.000 92.816 99.454 138.367-165.499 93.531 117.242 114.981 -78.843 120.062 -84.051 129.122-165.932 95.353 66.358 180.000 180.000 123.378 -88.385 110.862 -58.382 118.335-108.736 121.345-128.411 118.734-137.757 108.521-108.264 117.298-118.780 126.016-133.861 121.840 0.000 121.639 -80.924 # 131 total E -8.70445E+01 rmsd from N 2.358 %NC 0.53 0 93.850 120.803 148.594 -10.658 91.432 82.532 126.433 -31.669 91.731 44.080 90.800 -82.477 91.002 44.804 147.456-100.492 89.892 42.357 119.117-115.970 90.908 54.174 160.440 -8.672 90.461 41.135 129.979-169.712 91.518 68.653 103.488-100.279 91.533 -65.199 131.758-127.513 114.359 -50.515 180.000 180.000 118.381 -65.470 180.000 180.000 93.338 64.386 108.430-105.180 93.313 127.893 112.951 123.453 114.805 -77.059 123.194-136.038 93.901 72.374 180.000 180.000 124.972 -64.603 133.176 -80.536 119.484-106.739 110.642-114.727 118.980-137.672 112.958-113.678 117.380-118.383 125.816-133.387 121.824 0.000 121.509 -80.966 # 132 total E -8.74360E+01 rmsd from N 2.156 %NC 0.67 0 112.334 157.367 151.386 -38.655 91.974 82.765 129.892 -22.916 91.721 42.395 102.357 -84.774 90.985 44.766 150.934 -95.458 90.616 42.791 117.061-123.319 91.478 48.245 149.693 38.087 91.046 43.884 132.324-144.727 92.193 72.346 137.997-132.369 91.287 -67.073 133.938-131.794 112.438 -58.944 180.000 180.000 114.651 -62.849 180.000 180.000 93.383 66.625 139.714-168.135 93.574 113.402 109.071 61.027 119.174 -81.615 118.432 -83.956 94.525 71.535 180.000 180.000 124.980 -75.339 139.494 -57.138 119.852-111.417 109.024-111.448 119.780-136.765 112.887-113.689 117.846-118.300 122.869-128.711 121.845 0.000 121.454 -81.036 # 133 total E -8.72632E+01 rmsd from N 2.115 %NC 0.67 0 93.853 114.897 146.933 -12.051 91.533 81.466 137.926 -28.297 91.339 44.581 125.179 115.365 90.334 44.625 145.385 -93.004 90.034 45.554 119.379-121.812 90.693 45.543 165.386 21.308 91.456 45.387 140.715-146.431 93.030 62.795 137.916-132.629 92.178 -66.630 118.295 -79.582 114.642 -57.764 180.000 180.000 118.900 -54.069 180.000 180.000 92.650 72.101 132.240-157.855 92.396 128.672 113.574 -76.974 120.305 -77.525 129.129-145.029 94.565 66.513 180.000 180.000 123.109 -89.429 120.757-103.542 119.640-109.313 119.197-125.781 118.564-137.411 108.985-109.190 117.454-118.777 125.353-132.271 121.848 0.000 121.631 -80.956 # 134 total E -8.71219E+01 rmsd from N 2.600 %NC 0.67 0 93.851 106.705 146.402 -10.552 91.435 74.073 138.381 -37.077 91.360 44.506 126.829 121.111 90.584 48.220 146.647 -96.787 89.964 43.352 124.384-113.155 91.305 50.240 150.333 -13.256 90.958 41.282 137.917-148.180 92.156 72.367 104.630 -95.142 91.840 -68.222 133.028-127.117 115.370 -47.472 180.000 180.000 122.154 -55.807 180.000 180.000 93.892 68.177 138.330-163.429 92.642 125.536 123.367 132.697 96.729 -72.054 121.837-146.633 94.777 76.609 180.000 180.000 126.951 -79.802 129.309-125.188 120.217-112.616 112.563-116.681 119.148-117.215 117.238-119.723 118.020-118.637 119.840-124.141 121.837 0.000 121.533 -81.055 # 135 total E -8.70853E+01 rmsd from N 2.759 %NC 0.60 0 93.853 97.206 146.703 -13.191 91.407 69.741 138.651 -45.623 91.509 47.805 168.106 13.737 89.737 47.339 141.584 -88.909 89.199 46.396 115.869-124.692 89.885 59.565 146.422 -92.821 90.054 39.852 149.210-178.033 91.882 68.821 105.149-107.359 91.633 -65.091 132.505-138.168 107.789 -63.331 180.000 180.000 101.052 -32.877 180.000 180.000 92.536 103.385 140.069-169.598 93.658 110.528 111.424 -77.486 129.118 -85.737 121.444 -82.274 95.156 84.215 180.000 180.000 128.709 -71.211 128.744-119.858 119.153-108.151 114.108-120.117 119.141-137.702 107.755-107.217 117.665-118.746 124.640-133.087 121.862 0.000 121.604 -80.986 # 136 total E -8.77135E+01 rmsd from N 2.059 %NC 0.53 0 93.906 123.143 146.339 -7.918 91.360 86.372 129.391 -18.890 90.979 45.182 96.370 -87.489 90.181 45.188 148.575 -95.246 90.364 43.106 120.577-125.976 91.212 48.300 149.524 38.568 90.778 40.648 129.930-154.421 92.129 69.424 135.842-133.214 90.932 -64.975 133.374-125.416 111.921 -74.130 180.000 180.000 118.356 -65.527 180.000 180.000 92.559 65.669 139.132-168.745 92.074 100.140 113.364 -76.245 130.191 -86.932 114.278 -90.322 95.072 77.452 180.000 180.000 122.494 -77.541 113.605-133.722 119.443-113.238 109.411-112.428 119.499-138.379 111.273-111.671 117.183-118.256 127.193-135.377 121.746 0.000 121.544 -80.952 # 137 total E -8.82134E+01 rmsd from N 2.578 %NC 0.60 0 93.896 117.353 144.997 -12.397 91.282 87.780 127.317 3.133 90.443 52.431 138.148 111.555 90.138 47.673 146.374 -93.349 89.452 44.599 127.773-144.987 89.711 51.517 144.589 -10.998 90.272 46.309 143.094-154.208 91.482 75.951 133.345-132.514 90.495 -56.584 129.903-139.838 107.626 -70.399 180.000 180.000 101.132 -28.330 180.000 180.000 92.639 101.037 139.423-167.696 93.073 106.764 113.689 -77.657 115.660 -89.452 128.090-143.133 94.897 80.652 180.000 180.000 128.307 -79.772 114.312-133.791 119.750-114.857 113.896-118.289 119.187-116.352 110.256-110.695 117.830-118.736 121.505-127.566 121.887 0.000 121.568 -81.055 # 138 total E -8.81956E+01 rmsd from N 2.306 %NC 0.47 0 117.693 -96.953 147.343 -31.091 91.637 77.409 130.244 -27.837 91.882 43.466 96.323 -82.597 91.106 43.698 147.872-100.182 90.003 43.085 119.745-112.209 90.912 52.710 164.558 9.726 90.428 45.788 131.828-165.797 91.613 74.442 107.639-103.054 90.417 -65.070 130.001-137.699 103.339 -66.313 180.000 180.000 98.754 -31.907 180.000 180.000 92.861 104.282 139.914-168.567 94.439 102.826 113.480 -77.145 122.516 -95.032 120.217 -77.424 94.789 80.824 180.000 180.000 130.834 -69.482 128.856 -95.254 118.865-107.565 110.521-115.086 118.561-138.960 110.369-111.255 117.289-118.162 126.640-135.682 121.777 0.000 121.474 -80.892 # 139 total E -8.74817E+01 rmsd from N 3.063 %NC 0.47 0 93.710 36.648 108.294 -80.514 91.646 73.244 136.001 -40.310 91.822 43.633 128.973 120.828 91.005 48.743 143.112 -93.929 89.606 41.927 126.664-102.864 90.574 53.727 153.781 -25.358 90.482 42.194 134.251 172.628 91.479 70.812 103.467 -98.634 91.373 -63.344 131.469-132.681 112.526 -57.132 180.000 180.000 111.767 -51.240 180.000 180.000 93.204 85.104 102.293 -64.460 94.034 103.476 112.846 -76.694 119.767 -68.402 122.195 -81.477 94.789 82.086 180.000 180.000 127.431 -66.164 142.721-142.551 120.309-112.899 107.865-112.789 120.706-138.158 110.036-108.664 117.494-118.786 124.514-131.491 121.866 0.000 121.615 -80.987 # 140 total E -8.75923E+01 rmsd from N 2.434 %NC 0.73 0 93.869 106.315 146.389 -10.134 91.384 72.233 136.696 -42.349 92.148 41.584 128.360 120.371 91.098 48.930 144.532 -94.408 89.953 41.053 120.683-120.389 91.019 58.545 161.546 -84.237 90.349 38.132 141.698-173.832 91.929 68.703 102.066-101.591 91.569 -63.358 130.691-136.285 109.437 -66.218 180.000 180.000 102.589 -30.155 180.000 180.000 92.671 99.832 132.873-158.539 93.309 116.974 112.315 -78.794 124.581 -93.974 132.342-156.754 95.963 80.990 180.000 180.000 131.642 -85.496 123.476-117.845 119.763-111.185 114.551-120.107 118.758-139.920 108.604-108.328 116.656-118.567 130.998-141.657 121.745 0.000 121.644 -80.735 # 141 total E -8.72138E+01 rmsd from N 3.012 %NC 0.67 0 115.629 172.461 151.993 -12.993 91.663 75.135 135.429 -43.847 91.929 45.489 126.171 120.537 90.778 46.079 146.988 -96.713 89.743 46.247 122.860-106.972 90.874 48.997 159.635 -3.236 90.927 49.181 136.251-151.413 92.445 73.762 110.846-102.971 91.477 -67.997 96.489 -72.686 108.913 -52.597 180.000 180.000 92.690 -35.960 180.000 180.000 96.032 136.575 109.191 -92.881 92.730 88.315 112.817 -76.891 135.704 -90.821 118.191 -82.419 94.340 88.259 180.000 180.000 127.568 -61.470 133.211-108.630 118.761-110.334 108.678-114.678 121.262-137.157 111.737-110.716 118.069-118.579 121.215-126.445 121.885 0.000 121.514 -81.080 # 142 total E -8.70718E+01 rmsd from N 2.564 %NC 0.53 0 115.118 169.690 152.766 -15.512 91.580 75.576 139.475 -47.092 91.035 50.174 116.567 -65.432 90.423 50.093 151.069 -90.539 89.756 42.367 120.935-122.841 90.486 56.624 127.929 -92.646 90.018 40.222 132.569-164.456 92.407 66.470 130.303-136.557 91.502 -63.364 141.319-137.970 109.595 -65.618 180.000 180.000 100.785 -29.729 180.000 180.000 92.711 104.289 143.997-174.389 92.672 99.930 113.178 -77.018 123.546 -88.310 117.964 -84.139 95.687 82.836 180.000 180.000 132.360 -79.769 126.024-118.235 119.756-108.005 118.328-125.632 119.370-136.262 106.910-106.305 118.129-118.700 121.006-125.477 121.899 0.000 121.544 -81.091 # 143 total E -8.74516E+01 rmsd from N 2.200 %NC 0.53 0 93.986 127.464 143.257 -0.094 91.420 89.099 136.672 -21.732 91.027 44.734 119.007 107.072 89.989 47.105 146.859 -90.814 90.113 46.227 121.254-130.548 90.303 49.451 147.594 38.256 90.356 42.649 138.685-148.716 92.204 71.152 134.033-135.260 91.074 -66.933 138.395-120.922 110.142 -66.100 180.000 180.000 120.247 -62.159 180.000 180.000 92.798 72.742 138.350-166.447 92.045 99.235 113.665 -76.842 107.582 -82.688 123.178-135.367 96.166 86.739 180.000 180.000 132.917 -64.386 160.350-118.050 122.326-139.774 104.801-105.703 119.455-111.951 113.896-115.089 116.984-118.535 129.785-138.687 121.773 0.000 121.598 -80.818 # 144 total E -8.69618E+01 rmsd from N 2.594 %NC 0.60 0 114.894 171.101 154.538 -15.397 91.713 74.771 136.998 -48.166 91.157 50.044 121.083 114.934 89.627 45.875 146.183 -89.548 89.855 44.028 119.359-118.801 90.272 51.915 158.753 41.971 90.262 42.489 139.009-164.569 91.877 70.656 132.681-133.872 90.782 -63.031 134.568-130.122 107.544 -67.702 180.000 180.000 102.007 -33.062 180.000 180.000 92.409 99.000 140.471-169.598 93.568 91.548 111.800 -78.902 119.156 -84.848 138.603-165.043 96.623 91.098 180.000 180.000 128.313 -81.817 146.163-130.491 121.594-115.339 109.411-112.815 119.249-135.945 112.575-113.467 118.256-118.653 120.287-123.199 121.885 0.000 121.537 -81.068 # 145 total E -8.77030E+01 rmsd from N 2.804 %NC 0.53 0 93.885 114.394 145.275 -13.029 91.286 85.666 130.565 -3.299 91.302 43.321 140.530 114.800 90.241 52.764 139.597 -88.889 89.343 45.355 123.260-140.347 89.408 53.782 131.979 -29.859 89.780 47.066 145.559-175.999 91.211 79.342 89.429 -68.828 90.096 -59.254 137.899-125.489 105.353 -70.919 180.000 180.000 99.640 -24.782 180.000 180.000 93.427 105.855 133.481-157.510 92.957 102.072 116.580 -75.749 109.905 -85.261 116.763 -77.725 95.279 87.410 180.000 180.000 136.851 -71.329 145.313 -62.685 120.399-106.727 106.370-108.092 116.796-138.986 107.820-108.904 117.396-118.635 126.542-136.831 121.812 0.000 121.614 -80.884 # 146 total E -8.69808E+01 rmsd from N 2.369 %NC 0.53 0 93.950 126.748 144.562 -1.734 91.441 87.155 136.734 -26.027 91.317 44.413 119.121 108.243 90.394 46.265 148.528 -91.782 90.311 45.665 119.879-126.369 90.755 49.790 149.135 35.031 90.504 42.237 139.453-139.259 92.304 71.543 133.966-135.535 91.671 -71.105 138.560-118.390 113.548 -48.495 180.000 180.000 121.607 -69.072 180.000 180.000 94.391 61.750 136.513-160.640 92.951 111.832 126.104 138.757 93.639 -72.516 119.580-144.822 96.052 83.956 180.000 180.000 134.365 -67.407 154.244-135.666 121.966-134.194 103.929-105.099 118.822-112.097 121.460-124.880 116.901-118.539 129.976-137.735 121.774 0.000 121.589 -80.814 # 147 total E -8.71625E+01 rmsd from N 2.188 %NC 0.67 0 93.866 116.502 146.823 -11.753 91.532 81.776 137.462 -28.415 91.474 44.390 125.185 114.462 90.453 44.268 146.091 -93.155 90.125 45.968 118.684-121.502 90.846 45.175 163.308 22.744 91.513 45.917 140.514-139.931 93.047 62.608 138.262-132.495 92.496 -69.293 116.611 -77.059 116.514 -47.222 180.000 180.000 122.354 -60.636 180.000 180.000 93.467 63.826 130.839-154.904 92.719 132.729 122.643 124.265 116.368 -70.534 127.626-147.873 94.292 65.794 180.000 180.000 120.992 -91.068 121.569-103.786 119.895-109.314 117.882-123.630 118.587-136.985 111.293-112.065 117.620-118.816 124.173-130.070 121.865 0.000 121.605 -80.991 # 148 total E -9.08499E+01 rmsd from N 2.314 %NC 0.53 0 93.858 122.306 148.578 -9.163 91.452 83.383 127.963 -32.560 91.866 44.199 92.897 -82.730 91.054 43.890 147.681 -99.627 90.004 42.858 119.518-113.433 90.967 52.560 164.375 11.029 90.464 46.084 131.713-166.438 91.612 74.444 108.128-102.980 90.421 -65.216 129.804-137.876 103.302 -66.277 180.000 180.000 98.756 -31.879 180.000 180.000 92.857 104.220 139.920-168.548 94.389 102.548 113.483 -77.138 122.742 -95.192 119.894 -77.613 94.722 81.052 180.000 180.000 130.863 -69.066 129.411 -94.929 118.976-107.777 109.605-113.853 118.423-139.260 110.483-111.530 117.211-118.164 127.215-136.631 121.733 0.000 121.458 -80.863 # 149 total E -8.80708E+01 rmsd from N 2.124 %NC 0.60 0 93.867 121.195 147.939 -9.724 91.396 84.225 125.144 -27.051 91.264 45.474 92.125 -84.640 90.799 43.787 148.243 -98.854 90.164 43.820 121.828-112.704 90.319 52.744 159.020 27.829 90.143 50.444 129.840-166.779 91.269 73.680 113.946-109.002 90.289 -67.980 136.741-125.735 102.312 -69.101 180.000 180.000 105.040 -40.620 180.000 180.000 92.532 95.620 141.569-171.511 92.712 96.913 109.680 -77.141 137.156 -93.594 117.235 -87.016 93.778 83.043 180.000 180.000 124.424 -78.111 155.478 -38.263 118.388-109.821 111.286-115.885 117.925-136.571 111.141-112.216 116.414-118.371 128.649-138.552 121.755 0.000 121.523 -80.850 # 150 total E -8.93945E+01 rmsd from N 2.316 %NC 0.53 0 116.591-179.751 115.248 -82.102 91.571 84.005 127.967 -33.284 92.064 43.771 93.145 -82.736 91.062 44.125 148.576 -99.426 89.980 42.741 119.529-113.418 90.938 52.606 164.299 11.135 90.464 46.084 131.695-166.044 91.613 74.507 108.128-102.943 90.411 -65.164 129.842-137.911 103.267 -66.256 180.000 180.000 98.738 -31.928 180.000 180.000 92.856 104.211 139.901-168.547 94.395 102.601 113.459 -77.142 122.757 -95.165 119.888 -77.599 94.722 80.995 180.000 180.000 130.808 -69.140 129.382 -94.837 118.978-107.783 109.683-113.948 118.442-139.225 110.480-111.509 117.220-118.170 127.140-136.500 121.769 0.000 121.485 -80.871 # 151 total E -8.93604E+01 rmsd from N 2.296 %NC 0.53 0 111.878 157.754 153.061 -40.145 92.092 81.665 132.332 -29.787 92.061 42.079 100.591 -80.682 91.224 44.192 149.426 -95.404 90.136 42.442 117.546-118.700 90.841 50.352 163.754 29.867 90.653 46.275 132.129-162.068 92.028 75.076 135.808-130.318 90.388 -64.590 131.110-137.310 102.602 -65.555 180.000 180.000 98.427 -33.119 180.000 180.000 92.820 104.281 139.784-168.806 94.511 103.141 113.036 -77.262 123.219 -95.587 119.279 -77.358 94.700 79.904 180.000 180.000 129.776 -69.899 128.584 -91.623 119.021-108.731 110.021-114.274 119.008-138.606 110.742-111.532 117.358-118.181 125.908-133.864 121.792 0.000 121.467 -80.926 # 152 total E -8.94619E+01 rmsd from N 2.307 %NC 0.60 0 111.718 157.860 153.759 -40.251 92.118 81.438 132.011 -31.461 92.247 41.960 100.273 -79.816 91.389 44.432 149.514 -99.754 90.070 42.236 120.043-112.341 90.999 52.877 164.760 12.678 90.483 45.934 131.912-164.493 91.646 74.657 107.766-102.616 90.414 -65.028 129.791-138.396 103.081 -65.986 180.000 180.000 98.638 -32.174 180.000 180.000 92.853 104.290 139.855-168.602 94.460 103.039 113.418 -77.164 122.623 -95.119 120.132 -77.441 94.774 80.517 180.000 180.000 130.580 -69.688 128.640 -94.632 118.868-107.814 110.733-115.346 118.752-138.773 110.428-111.215 117.332-118.170 126.241-134.856 121.784 0.000 121.471 -80.908 # 153 total E -8.74327E+01 rmsd from N 3.052 %NC 0.53 0 115.737 172.043 151.307 -12.842 91.644 75.977 135.266 -42.323 91.976 43.326 128.621 120.926 91.063 48.962 143.892 -93.411 89.615 41.634 126.625-103.477 90.586 53.917 153.549 -25.831 90.488 42.321 134.404 172.983 91.460 70.751 103.508 -98.653 91.373 -63.398 131.416-132.613 112.593 -56.939 180.000 180.000 111.957 -51.542 180.000 180.000 93.196 84.723 102.230 -64.350 94.000 103.791 112.902 -76.675 119.422 -68.392 121.968 -81.438 94.757 82.137 180.000 180.000 127.560 -66.143 142.723-142.640 120.307-112.947 107.777-112.659 120.725-138.095 110.090-108.736 117.514-118.783 124.375-131.235 121.867 0.000 121.613 -80.992 # 154 total E -8.79500E+01 rmsd from N 2.352 %NC 0.53 0 93.707 40.221 108.986 -81.021 91.900 81.100 134.933 -26.802 93.628 36.237 176.435-178.357 92.178 49.549 140.953 -99.435 90.479 40.186 114.620-123.186 91.262 51.755 164.289 19.565 90.589 45.374 134.349-174.023 91.809 75.551 110.048 -99.622 90.266 -65.704 130.422-138.309 102.890 -66.463 180.000 180.000 98.194 -31.433 180.000 180.000 93.019 104.651 139.264-167.302 94.415 102.075 114.131 -76.988 122.932 -95.433 119.730 -77.540 94.695 80.892 180.000 180.000 130.643 -68.466 129.401 -93.293 118.891-107.341 109.405-113.643 118.326-141.234 110.655-111.812 118.303-108.802 127.125-135.723 120.752 0.000 119.082 -80.250 # 155 total E -8.69704E+01 rmsd from N 3.110 %NC 0.60 0 119.120-114.925 110.152 -82.775 91.634 70.315 136.357 -41.484 91.943 43.305 128.072 121.678 91.087 49.295 143.553 -94.250 89.737 41.424 125.869-105.551 90.856 52.892 152.524 -26.075 90.667 41.192 134.872 178.198 91.721 69.810 103.021 -96.360 91.763 -65.426 132.906-124.973 115.853 -46.118 180.000 180.000 118.997 -58.729 180.000 180.000 93.548 72.202 104.085 -75.355 93.071 116.797 126.500 123.944 110.364 -65.731 127.177-135.057 94.143 79.670 180.000 180.000 125.694 -66.997 139.967-141.494 120.859-112.146 109.292-114.445 120.228-138.088 111.091-110.317 117.445-118.799 124.453-130.745 121.869 0.000 121.618 -80.991 # 156 total E -8.70639E+01 rmsd from N 3.011 %NC 0.47 0 93.833 93.823 147.487 -15.037 91.580 76.421 139.341 -33.710 91.330 47.189 176.413 179.386 89.271 51.918 132.158 -84.336 89.036 48.953 117.307-133.484 88.999 58.883 114.962 -50.743 89.535 47.138 156.800-179.507 91.124 73.927 89.573 -72.635 90.816 -58.587 142.566-130.552 109.806 -72.337 180.000 180.000 102.287 -25.098 180.000 180.000 92.934 103.187 138.258-165.088 92.363 88.235 113.852 -76.637 118.604 -85.920 118.549 -84.839 95.928 96.729 180.000 180.000 133.879 -77.258 131.164-146.390 120.652-109.829 108.714-111.816 118.101-140.106 107.572-107.547 116.971-118.686 129.436-140.756 121.792 0.000 121.648 -80.826 # 157 total E -8.80022E+01 rmsd from N 3.477 %NC 0.53 0 93.937 119.691 143.225 -10.165 91.621 88.350 139.028 -14.608 91.291 42.135 144.043 110.516 90.836 48.406 141.589 -90.469 89.589 44.519 119.753-132.692 89.470 60.969 140.030 -34.082 89.881 42.528 141.308 170.054 91.107 73.364 92.083 -77.624 91.325 -53.752 135.633-133.903 111.721 -67.357 180.000 180.000 102.039 -31.396 180.000 180.000 92.639 100.730 109.504 -89.182 93.289 102.421 112.343 -79.453 119.640 -73.808 130.597-154.686 95.384 82.989 180.000 180.000 127.288 -71.401 151.714 -27.536 119.815-110.018 107.148-107.617 119.846-137.783 108.926-108.448 117.592-118.816 124.015-132.192 121.864 0.000 121.629 -80.976 # 158 total E -8.69332E+01 rmsd from N 2.337 %NC 0.60 0 111.900 158.341 153.935 -38.894 92.093 80.934 131.382 -31.965 92.428 41.546 100.881 -79.697 91.499 44.255 150.202-100.588 90.166 42.805 119.824-111.191 91.239 52.081 163.421 14.631 90.609 45.296 132.044-158.124 91.750 73.955 107.208-101.236 90.476 -66.630 129.000-138.185 103.695 -65.571 180.000 180.000 98.434 -31.179 180.000 180.000 92.960 104.821 108.320-102.024 94.361 101.422 113.951 -77.387 119.278 -93.338 119.013 -77.645 94.690 79.938 180.000 180.000 131.688 -70.588 126.311 -97.004 119.048-107.451 110.095-114.474 118.308-138.161 111.616-112.473 117.354-118.211 126.292-134.597 121.832 0.000 121.507 -80.932 # 159 total E -8.74478E+01 rmsd from N 1.830 %NC 0.67 0 93.899 124.675 144.826 -5.413 91.506 87.723 137.347 -22.893 91.124 45.046 124.144 110.515 89.931 45.682 146.470 -91.324 90.042 45.249 121.413-127.413 90.360 47.546 160.538 35.125 90.780 43.505 141.566-147.085 92.105 70.492 136.213-134.053 90.759 -67.859 135.391-117.752 109.090 -61.040 180.000 180.000 113.882 -55.805 180.000 180.000 92.464 75.426 131.966-157.923 92.869 133.266 113.183 -76.863 113.612 -78.547 126.507-139.799 94.173 63.698 180.000 180.000 124.577 -86.832 111.440 -92.685 119.173-107.678 120.627-127.820 118.340-135.721 109.791-110.491 118.223-118.721 120.317-124.955 121.885 0.000 121.566 -81.052 # 160 total E -8.77191E+01 rmsd from N 2.117 %NC 0.67 0 93.856 110.200 147.030 -11.766 91.533 78.967 136.775 -29.839 91.828 43.969 126.447 113.917 90.664 44.413 142.993 -94.068 89.907 44.755 119.532-116.531 90.514 51.304 167.354 10.837 90.576 43.728 142.737-175.552 91.727 71.985 108.042-101.696 90.879 -65.556 130.365-134.639 105.795 -65.587 180.000 180.000 100.705 -31.152 180.000 180.000 92.573 100.195 132.830-158.483 93.656 121.595 112.984 -78.535 118.247 -90.263 125.496-152.102 95.058 70.519 180.000 180.000 129.942 -85.753 109.843-107.513 118.753-107.346 120.692-128.425 118.249-137.662 108.058-108.118 117.446-118.769 125.418-132.866 121.849 0.000 121.628 -80.947 # 161 total E -8.89318E+01 rmsd from N 2.366 %NC 0.60 0 116.604-179.671 115.196 -82.068 91.553 83.708 127.470 -34.415 92.175 43.347 93.421 -82.726 91.114 44.390 148.539 -99.525 90.023 42.335 119.008-114.194 90.998 52.758 165.152 9.663 90.464 44.829 131.982-165.741 91.589 73.372 107.240-101.898 90.525 -64.463 130.765-136.123 104.731 -66.855 180.000 180.000 99.499 -31.860 180.000 180.000 92.741 102.003 139.931-168.449 93.367 107.266 113.172 -77.933 121.546 -96.955 123.163-134.469 94.405 77.757 180.000 180.000 129.761 -67.727 125.832 -97.225 118.847-107.131 110.123-114.600 118.384-138.821 110.249-111.227 117.414-118.228 125.864-134.899 121.787 0.000 121.488 -80.906 # 162 total E -8.78644E+01 rmsd from N 2.120 %NC 0.60 0 112.623 156.786 149.934 -38.381 91.986 86.265 134.229 -18.220 90.905 45.154 104.341 -85.990 89.981 43.977 148.936 -98.039 90.977 43.882 122.207-125.317 91.475 44.533 140.509 80.262 91.523 44.555 129.752-143.340 93.092 74.316 140.528-133.312 90.921 -68.158 141.910-138.990 105.924 -59.097 180.000 180.000 108.159 -62.261 180.000 180.000 92.668 77.517 136.853-165.045 93.416 101.951 113.092 -76.538 122.240 -84.514 124.003 -83.847 96.463 78.876 180.000 180.000 121.766 -79.031 145.238 -37.748 120.327-113.243 110.993-113.101 120.283-136.347 110.745-110.604 118.093-118.367 121.431-126.200 121.865 0.000 121.455 -81.074 # 163 total E -8.74956E+01 rmsd from N 2.347 %NC 0.53 0 116.714 169.623 145.070 -11.699 91.486 81.207 133.724 -26.247 93.438 36.834 176.439 178.943 91.925 49.094 141.035 -96.153 90.432 40.795 113.383-125.535 91.073 50.012 163.208 29.899 90.736 45.536 134.708-172.072 92.120 75.893 136.667-128.775 90.193 -65.106 131.604-136.882 102.585 -66.433 180.000 180.000 98.007 -32.006 180.000 180.000 92.991 104.652 139.314-167.747 94.459 102.102 114.009 -76.906 123.287 -95.839 119.093 -77.593 94.640 80.663 180.000 180.000 130.011 -68.704 129.387 -91.367 118.971-107.946 108.882-112.900 118.472-141.211 110.860-111.981 118.367-108.329 126.999-135.212 120.774 0.000 118.868 -80.428 # 164 total E -8.83694E+01 rmsd from N 3.077 %NC 0.53 0 93.866 102.020 146.328 -10.831 91.454 71.725 135.519 -38.954 91.705 43.720 129.748 120.409 90.944 48.589 142.615 -92.589 89.566 42.281 123.728-111.906 90.526 53.891 153.689 -25.328 90.439 42.275 134.381 172.314 91.488 71.152 104.336 -99.350 91.322 -63.131 131.334-133.755 112.059 -58.011 180.000 180.000 110.860 -49.780 180.000 180.000 93.202 86.894 102.630 -65.120 94.123 102.639 112.559 -76.784 120.334 -69.087 122.271 -81.242 94.793 82.517 180.000 180.000 127.622 -65.866 141.978-142.457 120.296-113.020 107.818-112.794 120.723-138.203 109.994-108.579 117.489-118.789 124.582-131.634 121.865 0.000 121.616 -80.984 # 165 total E -8.74963E+01 rmsd from N 2.349 %NC 0.53 0 116.841 169.888 144.926 -10.246 91.437 80.750 133.865 -26.119 93.391 36.773 176.438 179.040 91.930 49.109 140.909 -96.360 90.438 40.618 113.549-125.520 91.113 50.088 163.675 29.404 90.708 45.249 134.803-172.428 92.120 75.861 136.694-129.090 90.229 -65.176 131.768-136.856 102.606 -66.410 180.000 180.000 98.094 -32.043 180.000 180.000 92.998 104.622 139.244-167.437 94.468 102.205 113.802 -77.101 123.243 -95.609 119.228 -77.359 94.684 80.457 180.000 180.000 130.222 -68.608 129.178 -91.637 118.956-107.847 109.150-113.255 118.503-141.041 110.812-111.962 118.397-108.250 126.891-135.029 120.652 0.000 118.876 -80.310 # 166 total E -8.74959E+01 rmsd from N 2.349 %NC 0.53 0 116.993 170.041 144.913 -10.308 91.428 80.662 133.864 -26.016 93.402 36.774 176.438 179.115 91.889 49.133 140.890 -96.259 90.449 40.651 113.590-125.661 91.111 50.065 163.679 29.963 90.705 45.197 134.734-172.259 92.117 75.884 136.726-129.182 90.179 -65.183 131.862-136.963 102.599 -66.385 180.000 180.000 98.003 -32.073 180.000 180.000 92.996 104.706 139.199-167.377 94.480 102.177 113.944 -77.071 123.209 -95.770 119.254 -77.428 94.656 80.627 180.000 180.000 130.036 -68.722 129.233 -91.478 118.937-107.933 109.177-113.297 118.511-141.201 110.808-111.884 118.432-108.293 126.655-134.752 120.677 0.000 118.808 -80.311 # 167 total E -8.74979E+01 rmsd from N 2.347 %NC 0.53 0 116.930 170.098 144.927 -10.645 91.440 80.681 133.803 -25.961 93.416 36.806 176.440 178.965 91.928 48.967 140.935 -96.272 90.439 40.789 113.383-125.408 91.084 49.960 163.171 29.705 90.715 45.505 134.784-172.296 92.109 75.925 136.732-128.892 90.199 -65.151 131.755-136.829 102.585 -66.397 180.000 180.000 98.082 -32.077 180.000 180.000 92.984 104.596 139.270-167.525 94.450 102.184 113.836 -77.070 123.297 -95.693 119.089 -77.451 94.640 80.504 180.000 180.000 130.117 -68.681 129.344 -91.434 118.994-107.906 108.997-113.020 118.491-141.176 110.828-111.972 118.394-108.208 126.957-135.147 120.708 0.000 118.905 -80.269 # 168 total E -8.75040E+01 rmsd from N 2.354 %NC 0.60 0 116.973 170.688 145.034 -10.261 91.452 80.390 134.270 -26.773 93.591 36.085 176.436-179.363 92.130 49.470 141.147 -99.324 90.451 40.294 114.365-123.366 91.229 51.702 164.245 18.953 90.573 45.274 134.295-173.949 91.807 75.566 110.046 -99.604 90.248 -65.674 130.507-138.168 102.919 -66.530 180.000 180.000 98.199 -31.375 180.000 180.000 93.026 104.654 139.217-167.217 94.417 102.102 114.163 -76.980 122.906 -95.342 119.775 -77.500 94.702 80.924 180.000 180.000 130.659 -68.517 129.415 -93.405 118.883-107.240 109.527-113.811 118.271-141.188 110.611-111.775 118.332-108.781 127.058-135.655 120.751 0.000 119.058 -80.262 # 169 total E -8.71928E+01 rmsd from N 2.060 %NC 0.53 0 93.888 121.898 146.716 -9.123 91.295 84.405 126.195 -18.752 91.178 45.390 94.932 -89.316 90.316 44.488 149.948 -96.146 89.958 43.944 117.235-125.268 90.984 52.905 125.850 36.071 89.960 42.033 132.780-157.982 91.699 64.201 131.886-138.028 92.203 -72.757 139.763 -29.124 119.344 -77.335 180.000 180.000 116.893 -57.995 180.000 180.000 92.534 68.569 139.278-169.517 95.160 94.466 112.845 -75.707 127.210 -87.661 151.072 -30.007 95.950 80.172 180.000 180.000 129.526 -75.277 144.342 -50.165 119.027-109.006 112.496-116.104 120.207-139.377 110.304-109.979 116.939-117.964 128.588-137.870 121.751 0.000 121.423 -80.873 # 170 total E -8.90199E+01 rmsd from N 2.356 %NC 0.67 0 111.778 158.230 154.231 -39.151 92.110 81.005 131.697 -32.452 92.345 41.520 100.719 -79.801 91.445 44.719 149.462 -99.802 90.116 41.798 119.542-113.190 91.063 53.019 165.681 11.687 90.483 44.660 132.222-164.173 91.626 73.512 106.897-101.526 90.530 -64.316 130.799-136.524 104.540 -66.605 180.000 180.000 99.402 -32.140 180.000 180.000 92.737 102.082 139.892-168.533 93.411 107.775 113.145 -77.981 121.468 -96.952 123.353-135.335 94.454 77.194 180.000 180.000 129.454 -68.248 125.030 -96.903 118.729-107.182 111.179-115.997 118.712-138.348 110.237-110.969 117.531-118.204 124.921-133.216 121.803 0.000 121.471 -80.943 # 171 total E -8.87138E+01 rmsd from N 2.888 %NC 0.60 0 115.918 174.202 151.464 -12.042 91.591 74.183 136.176 -47.778 92.142 43.695 123.625 123.085 90.924 48.354 144.981 -95.059 89.788 42.175 123.317-110.745 90.955 51.421 156.894 -16.057 90.653 42.840 136.310-173.724 91.672 72.433 105.393 -97.534 90.699 -62.424 129.350-138.608 108.706 -69.309 180.000 180.000 101.245 -26.530 180.000 180.000 92.937 99.314 136.393-162.185 92.697 99.423 114.284 -77.984 124.800 -88.335 126.232-139.391 94.811 84.311 180.000 180.000 129.213 -75.260 132.764-133.460 120.657-114.811 110.357-116.185 119.740-136.141 109.596-109.104 118.038-118.741 121.454-125.869 121.891 0.000 121.571 -81.060 # 172 total E -8.90766E+01 rmsd from N 2.304 %NC 0.53 0 115.430 171.530 154.524-113.719 91.156 73.115 129.315 -23.700 91.294 45.049 92.205 -81.857 90.964 42.765 144.720-102.048 90.027 43.800 119.134-112.516 90.932 52.476 164.465 7.345 90.395 45.690 131.654-167.335 91.591 74.192 107.590-103.305 90.430 -65.205 130.094-137.079 103.594 -66.609 180.000 180.000 98.868 -31.594 180.000 180.000 92.873 104.282 139.936-168.454 94.401 102.565 113.564 -77.118 122.437 -94.952 120.245 -77.461 94.794 81.210 180.000 180.000 131.123 -69.191 129.163 -96.018 118.871-107.356 110.234-114.751 118.354-139.231 110.310-111.303 117.243-118.179 127.067-136.559 121.770 0.000 121.489 -80.871 # 173 total E -8.72396E+01 rmsd from N 2.829 %NC 0.67 0 115.728 169.995 150.426 -13.138 91.657 79.171 142.520-110.634 90.966 58.299 133.998 114.886 89.256 49.993 145.286 -96.906 89.278 44.527 123.462 -91.514 90.610 52.217 156.906 -9.163 90.538 40.683 134.370-166.236 91.887 73.102 101.871 -97.901 90.868 -59.507 130.709-137.362 108.900 -70.036 180.000 180.000 101.264 -26.515 180.000 180.000 93.074 100.008 139.117-166.533 93.393 106.170 115.300 -78.780 126.217 -87.544 133.202-161.095 95.772 74.292 180.000 180.000 123.838 -79.779 131.390 -92.361 119.925-110.492 117.327-123.321 119.622-133.682 109.316-108.938 118.486-118.674 117.831-121.826 121.889 0.000 121.533 -81.077 # 174 total E -8.72352E+01 rmsd from N 3.055 %NC 0.60 0 115.766 172.427 151.358 -12.719 91.625 75.643 136.022 -44.063 91.918 43.902 127.815 121.381 90.881 49.896 144.340 -93.779 89.703 41.365 125.900-108.916 90.819 52.876 152.004 -24.655 90.715 40.636 134.809-179.065 91.828 70.056 103.001 -96.015 91.768 -63.588 132.635-128.229 115.872 -48.238 180.000 180.000 120.956 -59.607 180.000 180.000 93.410 68.402 102.052 -89.491 93.023 118.969 122.714 128.789 113.393 -67.224 126.514-135.826 94.004 78.797 180.000 180.000 124.927 -63.609 143.549-136.568 120.470-110.957 109.189-114.338 120.473-138.051 111.132-110.121 117.532-118.810 124.154-130.370 121.877 0.000 121.614 -81.010 # 175 total E -8.80846E+01 rmsd from N 2.492 %NC 0.60 0 93.981 124.867 142.452 -4.402 91.477 90.202 137.300 -14.963 90.364 47.945 128.678 112.291 89.337 43.925 147.776 -91.559 89.461 48.029 123.106-132.707 89.401 51.678 157.939 33.983 90.168 42.127 139.712-151.913 92.187 73.807 129.350-134.454 91.074 -59.737 135.641-131.743 105.987 -66.036 180.000 180.000 102.361 -35.107 180.000 180.000 92.651 99.200 138.569-167.440 93.306 105.771 111.247 -78.884 95.600 -84.586 127.605-179.202 96.655 91.881 180.000 180.000 130.111 -86.151 136.733 -42.003 120.671-111.085 118.059-121.927 119.413-117.728 111.093-111.272 118.082-118.685 119.319-124.025 121.893 0.000 121.538 -81.083 # 176 total E -8.70536E+01 rmsd from N 2.384 %NC 0.60 0 116.946 170.214 144.953 -10.316 91.442 80.354 134.171 -26.363 93.491 36.137 176.441 179.290 92.026 49.546 141.026 -96.500 90.512 40.180 113.436-125.818 91.144 50.414 164.134 30.449 90.703 44.389 135.372-171.370 92.096 74.813 136.706-130.226 90.314 -64.463 133.361-133.797 103.958 -66.873 180.000 180.000 98.805 -32.227 180.000 180.000 92.863 102.301 139.192-167.289 93.407 106.965 113.532 -78.006 122.139 -97.684 121.475-134.644 94.354 77.151 180.000 180.000 128.954 -67.256 125.893 -93.257 118.825-107.282 109.381-113.583 118.457-140.746 110.651-111.746 118.635-108.100 125.298-132.893 120.699 0.000 118.891 -80.261 # 177 total E -8.71226E+01 rmsd from N 2.795 %NC 0.53 0 119.064-143.196 111.811 -79.638 91.216 85.602 131.034 5.179 90.458 49.611 137.514 110.939 89.621 46.657 145.869 -91.990 89.171 47.143 127.100-144.184 89.488 49.197 146.523 -7.027 90.254 45.546 140.220-156.926 91.754 76.840 133.499-132.558 90.389 -58.320 131.669-139.140 106.097 -70.687 180.000 180.000 100.594 -29.027 180.000 180.000 92.963 103.103 138.051-165.592 94.163 95.095 113.243 -77.067 125.966 -81.193 126.985 -78.270 96.360 81.490 180.000 180.000 128.456 -83.343 146.200 -32.960 119.907-113.083 111.738-113.422 119.808-134.347 110.333-110.571 118.397-118.674 118.783-122.711 121.891 0.000 121.536 -81.079 # 178 total E -8.77638E+01 rmsd from N 2.156 %NC 0.53 0 93.710 62.811 110.176 -80.667 91.472 83.614 126.441 -22.476 91.522 44.257 96.611 -87.755 90.683 44.572 150.041 -95.416 90.520 43.140 117.244-123.869 91.436 48.083 149.062 37.347 91.029 44.167 132.294-146.082 92.148 72.074 137.656-132.393 91.296 -67.179 133.762-131.647 112.673 -59.352 180.000 180.000 115.012 -62.708 180.000 180.000 93.386 66.236 139.678-168.043 93.551 112.828 109.249 61.323 119.874 -81.858 118.287 -84.050 94.510 71.816 180.000 180.000 124.927 -74.823 140.197 -55.330 119.905-111.522 107.929-109.863 119.532-137.040 112.833-113.816 117.715-118.328 123.761-130.165 121.840 0.000 121.473 -81.015 # 179 total E -8.74161E+01 rmsd from N 2.379 %NC 0.53 0 116.714 169.484 145.313 -11.166 91.428 79.681 135.426 -26.634 93.140 35.152 172.447 14.604 91.929 50.093 142.782 -92.943 90.184 41.579 114.742-125.297 90.638 50.213 163.655 29.698 90.688 45.135 136.549-173.998 92.172 76.037 136.957-129.315 90.277 -64.950 132.046-136.987 102.579 -66.144 180.000 180.000 98.051 -32.300 180.000 180.000 93.009 104.921 139.350-167.711 94.549 102.343 113.719 -77.066 122.573 -95.639 119.461 -77.130 94.760 79.836 180.000 180.000 130.657 -68.782 128.128 -92.196 118.615-107.763 110.708-115.424 119.436-143.066 110.874-111.386 118.833-102.480 126.189-133.434 120.215 0.000 117.661 -79.836 # 180 total E -8.74159E+01 rmsd from N 2.380 %NC 0.53 0 116.630 169.091 145.520 -12.065 91.453 80.032 135.329 -26.915 93.212 35.173 172.479 14.052 91.924 50.094 142.838 -92.714 90.183 41.494 114.632-125.134 90.642 50.287 163.548 29.292 90.678 45.131 136.673-174.176 92.165 76.189 136.996-129.300 90.255 -64.905 131.987-137.395 102.468 -66.204 180.000 180.000 97.992 -32.169 180.000 180.000 93.023 105.010 139.317-167.629 94.482 102.221 113.971 -76.980 122.533 -95.863 119.603 -77.112 94.781 80.055 180.000 180.000 130.466 -68.842 128.187 -92.272 118.603-107.703 110.627-115.361 119.409-142.990 110.837-111.360 118.875-102.809 126.383-133.695 120.019 0.000 117.525 -79.893 # 181 total E -8.84115E+01 rmsd from N 2.903 %NC 0.60 0 115.590 171.453 151.622 -13.642 91.649 76.214 136.420 -41.783 91.865 44.748 126.187 120.617 90.714 46.911 146.307 -96.240 89.642 44.711 124.037-107.721 90.748 51.754 157.457 -7.397 90.597 44.279 137.338-162.499 91.786 74.463 105.889-101.045 90.580 -64.488 127.615-141.965 105.232 -66.750 180.000 180.000 98.535 -29.354 180.000 180.000 93.324 105.784 112.488-102.301 93.747 92.852 114.729 -76.943 123.529 -84.956 119.026 -78.355 94.828 87.792 180.000 180.000 132.141 -64.374 137.721-123.330 119.282-109.898 108.792-114.451 120.781-136.701 110.871-109.818 118.083-118.693 121.067-126.611 121.892 0.000 121.550 -81.073 # 182 total E -8.71950E+01 rmsd from N 2.380 %NC 0.53 0 116.332 175.940 113.942 -81.159 91.701 80.920 135.319 -27.262 93.022 35.877 172.616 13.868 91.953 49.829 142.472 -92.613 90.231 41.558 116.252-123.913 90.682 50.102 163.454 29.860 90.709 45.329 136.596-174.794 92.166 76.087 137.104-129.137 90.290 -64.985 131.852-137.321 102.515 -66.213 180.000 180.000 97.995 -32.065 180.000 180.000 93.035 105.060 139.390-167.751 94.488 102.055 113.970 -77.052 122.496 -96.019 119.510 -77.175 94.763 80.248 180.000 180.000 130.495 -68.576 128.365 -92.458 118.613-107.765 110.201-114.771 119.360-143.116 110.908-111.547 118.754-102.983 126.850-134.439 120.148 0.000 117.589 -79.916 # 183 total E -8.74180E+01 rmsd from N 2.380 %NC 0.53 0 116.849 169.719 145.081 -11.056 91.426 79.592 135.343 -26.440 93.158 35.224 172.487 14.362 91.930 50.022 142.705 -92.798 90.189 41.529 114.661-125.184 90.650 50.201 163.553 29.134 90.687 45.161 136.693-174.192 92.163 76.100 137.036-129.310 90.274 -64.885 131.943-137.234 102.537 -66.239 180.000 180.000 97.995 -32.102 180.000 180.000 93.032 105.035 139.363-167.737 94.513 102.177 113.945 -77.060 122.490 -95.909 119.631 -77.086 94.783 80.171 180.000 180.000 130.413 -68.858 128.239 -92.408 118.599-107.644 110.641-115.349 119.370-142.975 110.821-111.400 118.853-102.622 126.388-133.735 120.111 0.000 117.531 -79.915 # 184 total E -8.74154E+01 rmsd from N 2.382 %NC 0.53 0 116.746 169.818 144.972 -10.941 91.416 79.573 135.417 -26.483 93.125 35.254 172.479 14.338 91.885 50.156 142.598 -92.619 90.192 41.444 114.864-125.344 90.666 50.283 164.114 29.582 90.687 44.964 136.416-174.430 92.165 75.906 137.034-129.521 90.294 -64.987 131.948-137.175 102.598 -66.230 180.000 180.000 97.986 -32.070 180.000 180.000 93.030 105.126 139.262-167.564 94.519 102.195 113.981 -77.148 122.476 -95.954 119.849 -76.990 94.814 80.153 180.000 180.000 130.382 -68.839 128.019 -92.477 118.556-107.618 110.630-115.449 119.446-142.978 110.778-111.396 118.895-102.184 126.190-133.369 119.991 0.000 117.626 -80.049 # 185 total E -8.71991E+01 rmsd from N 3.101 %NC 0.60 0 115.708 170.892 150.923 -12.963 91.674 76.076 133.878 -41.084 92.684 39.299 129.476 121.552 91.884 50.465 143.594 -91.467 90.057 39.633 123.438-112.824 91.215 54.027 146.568 -34.696 90.740 41.241 138.363 178.326 91.672 68.882 102.581 -93.608 92.032 -66.601 132.853-128.293 118.532 -40.409 180.000 180.000 121.023 -62.769 180.000 180.000 93.780 65.710 104.670 -73.433 93.034 123.284 131.669 132.096 96.083 -65.325 120.197-136.060 94.539 86.766 180.000 180.000 128.302 -65.738 136.916-150.282 120.594-113.696 108.035-113.225 120.503-138.154 111.685-111.052 117.459-118.776 124.458-130.514 121.868 0.000 121.610 -80.994 # 186 total E -8.69435E+01 rmsd from N 2.900 %NC 0.53 0 115.700 -48.276 148.187 -19.068 91.498 72.487 136.348 -46.611 91.989 43.924 124.007 123.020 90.899 48.208 144.045 -95.431 89.797 42.357 123.271-110.941 90.960 51.308 156.895 -16.033 90.646 42.726 136.258-174.472 91.680 72.361 105.394 -97.483 90.707 -62.451 129.403-138.480 108.831 -69.396 180.000 180.000 101.271 -26.430 180.000 180.000 92.946 99.294 136.423-162.181 92.700 99.262 114.319 -77.993 124.901 -88.260 126.419-139.668 94.834 84.294 180.000 180.000 129.149 -75.275 132.682-133.837 120.647-114.748 110.449-116.327 119.739-136.221 109.538-109.007 117.993-118.753 121.743-126.338 121.890 0.000 121.575 -81.056 # 187 total E -8.70771E+01 rmsd from N 2.790 %NC 0.60 0 116.120 168.381 147.782 -13.128 91.553 79.374 127.133 -27.086 92.767 35.162 145.178 115.599 92.318 55.406 139.464 -86.602 90.429 38.326 119.298-129.797 90.840 57.249 120.012 -42.624 89.891 46.240 152.084-174.363 90.937 69.896 90.032 -73.284 90.388 -69.456 138.040-128.024 112.417 -75.282 180.000 180.000 102.086 -21.129 180.000 180.000 92.958 98.862 138.455-163.250 92.948 71.809 115.481 -76.298 94.257 -95.532 108.912 -85.384 93.893 144.022 180.000 180.000 137.321 -78.574 147.582 158.598 115.772-103.648 112.608-122.127 118.418-142.120 107.104-105.657 116.816-118.428 131.363-145.165 121.712 0.000 121.617 -80.697 # 188 total E -8.71037E+01 rmsd from N 3.464 %NC 0.47 0 93.703 40.680 109.186 -81.411 91.963 92.652 138.799 -17.287 91.603 42.813 144.322 112.027 90.874 48.195 142.293 -90.876 89.609 44.535 120.454-132.948 89.479 61.045 140.163 -34.272 89.886 42.668 141.154 170.905 91.085 73.287 92.093 -77.585 91.311 -53.950 135.533-133.725 111.670 -67.287 180.000 180.000 102.015 -31.434 180.000 180.000 92.628 100.710 109.619 -89.163 93.266 102.737 112.337 -79.438 119.441 -74.181 130.250-154.295 95.342 83.095 180.000 180.000 127.324 -71.363 151.452 -28.896 119.813-109.969 107.487-108.103 119.892-137.645 108.848-108.310 117.634-118.820 123.725-131.755 121.868 0.000 121.626 -80.986 # 189 total E -8.72246E+01 rmsd from N 3.119 %NC 0.53 0 93.717 38.342 108.448 -80.539 91.731 74.362 133.229 -38.159 92.836 37.722 131.386 120.794 92.079 51.433 141.954 -90.728 90.306 38.825 119.179-123.125 91.258 55.877 141.948 -37.465 90.650 41.313 140.605 178.348 91.517 69.121 94.094 -76.429 92.041 -65.413 134.756-126.068 119.338 -40.587 180.000 180.000 121.296 -63.516 180.000 180.000 93.751 64.937 104.451 -73.553 92.982 123.454 129.980 130.435 95.417 -64.134 119.370-134.782 94.451 86.922 180.000 180.000 129.264 -65.775 135.438-152.988 120.707-113.576 108.540-114.093 120.599-138.364 110.947-109.947 117.459-118.787 124.787-131.137 121.866 0.000 121.616 -80.987 # 190 total E -8.77026E+01 rmsd from N 3.069 %NC 0.53 0 93.847 99.811 147.208 -12.411 91.410 72.479 136.961 -39.991 91.042 45.717 129.042 117.960 89.934 49.514 141.687 -88.945 89.656 42.620 119.497-128.715 90.523 50.993 137.122 -10.958 90.662 41.576 140.922-173.543 92.167 73.690 134.654-133.674 92.091 -58.599 136.310-123.773 118.687 -44.677 180.000 180.000 123.291 -63.471 180.000 180.000 93.482 63.976 96.296 -86.320 94.414 130.379 115.178 -77.544 123.353 -73.429 137.928-147.434 94.116 74.850 180.000 180.000 121.479 -54.502 145.439-117.644 117.816-105.850 111.138-118.202 120.660-138.451 111.587-110.164 117.527-118.719 124.568-132.839 121.858 0.000 121.597 -80.982 # 191 total E -8.89274E+01 rmsd from N 2.805 %NC 0.47 0 93.710 37.185 108.298 -80.424 91.621 73.122 137.888 -41.608 91.889 43.726 124.505 122.476 90.805 47.676 144.117 -95.493 89.711 43.435 124.286-108.690 90.837 50.378 156.582 -12.494 90.700 44.209 136.285-173.309 91.750 74.102 106.680 -98.340 90.518 -63.958 127.045-143.479 106.205 -69.168 180.000 180.000 99.992 -27.087 180.000 180.000 93.179 103.189 135.559-161.082 93.882 91.260 114.642 -76.663 126.982 -85.800 122.171 -77.615 95.450 90.034 180.000 180.000 130.532 -76.050 140.011-133.239 120.741-116.507 109.233-114.602 120.210-136.465 109.588-108.719 117.966-118.753 122.008-126.645 121.890 0.000 121.575 -81.056 # 192 total E -8.76478E+01 rmsd from N 2.063 %NC 0.60 0 93.974 126.605 143.494 -1.791 91.342 90.379 131.304 -17.065 90.889 45.533 121.614 98.013 89.917 48.800 144.823 -91.745 89.811 45.693 122.104-134.440 90.191 50.070 137.290 29.907 90.285 43.431 142.830-157.906 91.964 72.315 133.964-134.587 91.117 -62.047 135.754-129.075 111.009 -78.515 180.000 180.000 118.307 -64.482 180.000 180.000 92.579 69.125 138.317-168.227 92.547 91.596 113.251 -76.317 117.929 -81.347 116.947 -83.229 95.651 83.590 180.000 180.000 133.216 -60.405 161.631 -43.345 123.603-145.742 102.720-102.219 119.894-111.867 114.323-115.480 116.929-118.528 130.255-139.058 121.770 0.000 121.597 -80.810 # 193 total E -8.88959E+01 rmsd from N 2.744 %NC 0.60 0 115.634 171.622 151.551 -13.260 91.625 75.863 136.991 -43.121 91.998 44.112 124.516 121.533 90.746 47.249 146.798 -96.881 89.865 44.614 123.435-109.807 91.157 48.762 155.752 -6.507 90.785 45.038 136.474-152.828 91.807 73.595 107.858 -97.791 90.386 -68.015 127.330-140.622 107.148 -70.763 180.000 180.000 99.699 -23.782 180.000 180.000 93.513 103.512 135.404-159.107 93.536 87.893 116.645 -75.918 124.983 -90.709 120.488 -78.059 95.293 91.335 180.000 180.000 133.194 -73.809 140.706-127.519 120.136-112.317 110.185-116.129 120.478-136.083 110.362-109.309 118.233-118.658 120.152-124.336 121.891 0.000 121.540 -81.078 # 194 total E -8.70901E+01 rmsd from N 2.442 %NC 0.53 0 114.917 159.735 146.519 -23.638 91.604 87.857 138.187 -12.267 90.305 47.874 127.897 113.939 89.423 43.417 149.355 -93.773 89.736 48.516 123.317-131.395 89.865 49.406 156.727 32.905 90.376 42.721 137.159-139.134 92.399 72.843 131.308-135.545 91.213 -65.766 137.897-117.725 108.115 -56.837 180.000 180.000 115.227 -51.379 180.000 180.000 93.202 83.858 138.873-166.203 92.661 111.362 112.555 -76.796 93.789 -72.597 134.814-161.254 96.984 83.457 180.000 180.000 132.098 -89.082 138.335 -37.148 120.658-110.343 119.616-123.636 119.640-117.121 111.583-111.786 118.217-118.628 117.946-121.988 121.890 0.000 121.518 -81.089 # 195 total E -8.76097E+01 rmsd from N 2.776 %NC 0.60 0 93.856 102.919 146.924 -11.064 91.383 71.596 137.678 -41.313 91.381 45.249 123.303 120.329 90.241 47.070 145.374 -93.524 89.926 44.542 117.948-124.853 91.051 47.292 152.683 2.771 91.114 42.361 135.951-152.975 92.528 72.963 136.283-133.626 91.778 -67.550 135.083-114.246 114.116 -49.358 180.000 180.000 121.147 -57.093 180.000 180.000 93.811 69.011 132.406-155.134 92.589 117.042 120.909 127.943 113.126 -72.253 124.153-134.825 94.267 75.233 180.000 180.000 125.499 -74.239 144.635-122.998 120.566-112.756 109.661-114.953 119.456-135.580 116.749-117.837 118.454-118.573 118.781-120.979 121.877 0.000 121.509 -81.068 # 196 total E -8.75662E+01 rmsd from N 2.326 %NC 0.53 0 93.875 124.139 148.190 -7.334 91.438 85.310 134.348 -31.609 91.266 45.115 96.204 -82.753 89.583 45.966 147.534 -94.619 89.561 44.601 118.469-127.408 90.472 49.206 165.150 103.161 90.911 43.009 137.220 -53.242 92.806 72.732 134.853-134.543 90.739 -69.568 129.937-139.068 101.781 -63.413 180.000 180.000 96.800 -32.355 180.000 180.000 93.302 106.962 140.613-168.187 94.789 102.878 114.939 -76.887 124.371 -97.618 120.280 -76.133 95.088 80.032 180.000 180.000 129.008 -68.987 127.751 -91.494 118.183-111.032 109.783-114.420 119.845-137.678 110.124-110.273 117.579-118.292 124.059-130.492 121.839 0.000 121.537 -80.985 # 197 total E -8.98133E+01 rmsd from N 2.309 %NC 0.47 0 93.712 62.130 109.735 -80.371 91.590 80.169 129.217 -29.705 91.902 43.827 94.253 -83.063 91.068 43.883 147.797 -99.955 89.994 42.943 119.787-112.659 90.935 52.624 164.437 10.540 90.450 45.967 131.788-166.173 91.614 74.451 107.904-103.013 90.419 -65.150 129.894-137.796 103.313 -66.289 180.000 180.000 98.751 -31.896 180.000 180.000 92.860 104.251 139.912-168.550 94.410 102.663 113.480 -77.140 122.639 -95.133 120.023 -77.531 94.750 80.948 180.000 180.000 130.852 -69.225 129.167 -95.059 118.928-107.699 109.974-114.352 118.483-139.143 110.439-111.419 117.241-118.171 126.978-136.228 121.772 0.000 121.483 -80.878 # 198 total E -8.72498E+01 rmsd from N 2.217 %NC 0.60 0 93.871 102.200 145.994 -10.879 91.380 71.816 139.020 -40.722 91.227 47.046 134.638 111.541 90.592 46.443 145.759 -95.008 89.987 42.528 119.623-118.778 90.785 60.036 158.101 -97.586 90.203 40.486 148.756-158.581 91.612 67.814 103.400-105.915 91.230 -67.674 130.806-128.585 107.111 -61.759 180.000 180.000 99.316 -31.875 180.000 180.000 92.572 104.558 101.985 -85.989 94.041 120.517 113.241 -77.453 108.880 -79.768 117.563 -79.886 94.966 71.687 180.000 180.000 130.785 -82.271 116.005-102.898 118.980-104.864 120.347-127.687 116.611-138.196 107.844-108.370 117.550-118.749 125.407-135.152 121.832 0.000 121.638 -80.909 # 199 total E -8.69920E+01 rmsd from N 2.414 %NC 0.60 0 116.544 169.862 144.933 -10.839 91.431 79.244 135.573 -26.780 93.231 34.513 172.335 14.011 92.059 50.670 142.795 -92.874 90.253 40.933 114.852-125.459 90.704 50.621 164.478 30.347 90.662 44.064 137.343-173.047 92.156 74.808 137.128-130.524 90.407 -64.141 134.022-133.756 104.041 -66.926 180.000 180.000 98.842 -32.447 180.000 180.000 92.860 102.579 139.367-167.708 93.412 107.022 113.554 -78.161 121.743 -98.066 122.331-135.371 94.447 76.625 180.000 180.000 128.949 -67.656 124.902 -93.738 118.451-106.988 111.123-115.903 119.369-142.641 110.636-111.255 119.139-102.156 124.383-131.014 120.007 0.000 117.587 -80.067 # 200 total E -8.69946E+01 rmsd from N 2.415 %NC 0.60 0 116.881 169.901 145.064 -10.778 91.425 79.225 135.566 -26.823 93.236 34.539 172.357 14.070 92.036 50.691 142.830 -92.888 90.264 40.871 114.783-125.608 90.712 50.676 164.688 30.684 90.676 43.960 137.411-173.129 92.149 74.910 137.077-130.659 90.385 -64.174 133.565-134.232 103.970 -66.787 180.000 180.000 98.703 -32.296 180.000 180.000 92.894 102.684 139.393-167.676 93.437 107.090 113.652 -78.033 121.548 -98.035 121.814-135.813 94.479 76.607 180.000 180.000 129.071 -67.489 124.698 -93.873 118.427-107.023 111.151-116.064 119.353-142.520 110.619-111.127 119.182-102.133 124.328-130.893 120.072 0.000 117.459 -79.876