jlee = 1 nbank = 100 nstep = 40300 26244275 0 1253.64009 nglob_csa = 87 eglob_csa = -7.25830E+01 # 1 total E -7.10313E+01 rmsd from N 0.000 %NC 0.00 1 91.752 -2.569 114.278 -67.985 128.570-162.684 134.370 -38.387 94.375 53.058 87.163 -91.251 126.021-164.423 138.859-101.125 123.553-178.160 134.093 -58.421 93.416 91.060 112.466 -65.779 93.947 -12.333 125.397 -81.451 103.662 -74.167 157.932-110.754 94.656 173.109 0.000 0.000 131.154-159.020 131.645 48.840 94.697 50.561 140.759 -73.113 124.164-177.786 142.674-118.429 92.998 101.518 162.286 98.439 123.895 -75.441 106.256 -88.428 92.767 59.420 149.942 146.260 94.579 31.713 142.607 -64.859 94.852 45.166 118.901 -40.628 92.208 43.350 128.680-108.705 93.105 43.128 117.736 160.870 92.884 40.166 105.801 -77.400 93.631 45.136 145.033 -96.176 92.510 46.128 138.734-122.200 91.524 47.105 115.206-116.477 92.026 52.677 123.823 -92.054 93.233 76.779 136.356-119.323 93.456 155.635 128.246-122.176 95.528 92.318 0.000 0.000 118.321 0.000 134.314-164.787 # 2 total E -7.18127E+01 rmsd from N 0.000 %NC 0.00 1 91.734 116.302 118.577 -30.171 138.200-163.173 134.850 -20.307 129.589-140.392 125.285-132.520 130.048-170.043 140.007 -76.218 135.863-157.254 125.808 -64.619 93.246 32.434 112.069 -63.350 123.391-169.065 169.276-113.469 138.340 -74.388 126.290 91.224 120.806 9.997 121.664 -29.084 104.973 -38.758 106.178-140.513 95.716 140.835 142.539 -71.271 116.964-167.122 148.188-136.219 112.826 34.061 133.557 130.101 108.449-157.416 133.845-137.445 132.517-160.289 103.881 145.569 116.727-156.861 150.116 -96.487 114.079-166.433 132.124 40.573 109.050 -60.998 137.418 158.633 95.182 -22.149 123.568 -27.762 95.055 91.800 139.644-144.088 126.458-129.590 113.389-132.296 134.393-170.606 142.962 -67.215 119.548-151.242 142.442 156.287 137.452-160.851 111.870 -64.222 126.837-143.220 146.383 147.920 126.146-179.173 118.375-108.019 95.284 107.170 0.000 0.000 118.993 0.000 125.083-147.762 # 3 total E -6.83078E+01 rmsd from N 0.000 %NC 0.00 1 91.719 57.908 138.110-105.977 121.944-172.022 146.613 39.130 129.766 -84.906 130.286 -30.498 126.241-140.918 137.807 -84.112 120.309 80.803 145.144 -84.490 128.768 -71.036 134.872 56.138 95.301 47.834 135.241 -95.544 93.201 35.789 120.272-132.677 121.682 6.687 0.000 0.000 94.487 46.564 139.346-137.247 93.998 37.464 148.256 -73.624 92.816 48.534 139.114-166.612 91.337 43.282 113.509 -12.182 92.323 45.511 112.219 -77.495 91.706 44.714 153.200 141.515 92.104 43.383 136.886-133.107 91.710 46.467 119.371 -57.185 91.482 47.623 133.724-113.705 91.873 45.073 119.192 172.502 92.064 43.050 104.643 -78.931 92.553 46.090 127.464 -94.116 92.288 44.988 134.403-118.159 91.679 47.429 114.000-122.586 92.310 51.175 120.483 -64.018 93.493 76.303 135.154-124.805 93.725 151.567 129.110-120.734 136.744 -84.955 0.000 0.000 116.900 0.000 131.186-162.923 # 4 total E -7.03515E+01 rmsd from N 0.000 %NC 0.00 0 91.723 60.624 138.162-103.414 127.613-136.484 142.442 23.019 139.535-139.411 140.767-138.726 130.167-158.968 112.830 -70.391 126.957-178.644 100.241 -52.805 92.647 85.446 95.866-103.328 94.523 -9.087 105.684 -96.621 105.920 -79.398 122.282-118.880 94.313 167.683 162.348 116.686 141.350-154.744 157.723 -63.803 116.300-157.562 154.323 -29.594 137.571-127.482 151.586-160.940 124.776 -1.542 149.500 142.720 115.104 -99.286 139.210-124.764 91.217 68.185 152.043 12.251 90.500 53.328 88.700 -35.522 90.799 49.096 122.146 -70.441 91.827 48.165 135.348 -38.958 92.798 41.474 116.808 117.497 94.401 38.937 102.799 -86.772 94.534 44.266 130.170-108.767 93.161 46.748 158.388-151.534 91.264 62.511 132.511-117.314 92.427 79.627 105.603 -56.604 122.847 178.728 126.334 -74.284 117.356 -59.947 116.365-126.535 128.785-127.665 0.000 0.000 118.960 0.000 125.016-171.518 # 5 total E -5.97042E+01 rmsd from N 0.000 %NC 0.00 1 91.678 76.850 131.272 -27.703 136.514-160.219 129.785 25.942 133.817-137.383 147.579-153.784 127.009-165.743 165.581 -50.293 131.234-148.887 149.847 -72.786 118.298-162.440 118.649 -58.252 131.996-167.854 151.749 139.690 127.018-168.303 176.374 168.730 135.746 -38.867 0.000 0.000 111.017 -34.810 128.630 156.773 94.676 173.619 142.806 -73.964 142.593-170.630 140.892 -67.902 92.621 64.070 152.825 -94.096 113.200-164.640 117.189 -84.844 128.220-119.801 157.287 -47.108 129.880-149.468 155.631 -99.004 119.630-167.388 144.012 9.487 131.494-138.941 133.261 138.301 123.187-157.109 130.214 126.796 123.368-158.218 159.620 -4.185 106.718 -66.007 149.169 -40.952 94.212 -16.866 139.919 -96.423 94.872 91.163 110.834-118.004 125.779-133.990 163.254 -45.159 132.740-165.260 145.216 30.644 121.236-174.870 143.648-130.104 135.044 -91.973 0.000 0.000 117.355 0.000 127.995 165.156 # 6 total E -6.16556E+01 rmsd from N 0.000 %NC 0.00 1 122.509-134.272 144.022 -88.524 121.044-174.942 128.339 5.329 140.510-151.402 136.005 136.965 134.130-128.202 121.734 -77.156 114.627 19.290 148.375 -85.165 119.051 -71.315 129.685 57.644 112.453 172.238 133.210 -85.940 127.945 -82.942 136.711 125.670 95.817 78.533 0.000 0.000 127.171-105.652 104.743-106.741 95.336 79.655 141.445 -71.196 111.470 137.101 118.107 -85.618 129.760-113.551 122.510-131.394 93.861 92.156 158.426-135.358 116.184 -57.966 154.774-101.467 91.676 76.459 127.642 -33.264 91.373 44.608 136.802 -49.590 91.826 49.881 141.418-130.352 91.504 42.632 114.443 159.105 92.835 42.413 103.843 -81.072 93.408 44.138 130.508 -87.705 92.558 44.539 138.938-127.327 91.655 47.092 116.000-118.704 92.485 56.761 118.279 -60.483 93.256 77.017 137.086-118.559 113.356 177.171 131.610-122.282 136.648 -85.219 0.000 0.000 116.907 0.000 131.238-162.510 # 7 total E -6.64364E+01 rmsd from N 0.000 %NC 0.00 1 91.701 29.720 106.448 -67.026 129.060-163.652 141.969 13.877 93.710 51.310 119.190 -27.845 120.666-159.223 170.061 -95.290 146.566-175.122 161.235 -64.194 104.342-163.092 74.150 -98.628 135.457-174.601 141.527 105.689 92.846 102.602 87.171 -90.532 102.882 -15.709 0.000 0.000 92.115 -70.193 99.275-136.819 94.954 175.511 142.588 -71.643 104.585 163.560 155.651-126.290 92.987 54.031 128.262 170.774 116.425 157.245 149.533 -20.682 125.359-174.721 115.856-160.092 92.736 40.337 108.545 -7.200 122.973-176.075 131.042 60.981 90.973 53.352 147.496 -51.842 91.789 51.039 107.502-136.301 92.529 44.529 143.872 -16.716 92.365 44.585 112.979-126.768 92.860 43.461 143.024-111.593 92.041 46.717 117.767-129.858 92.303 52.834 121.280 -76.184 93.228 75.588 137.145-120.611 93.550 156.120 130.064-122.079 95.490 92.956 0.000 0.000 118.363 0.000 133.594-163.903 # 8 total E -6.13060E+01 rmsd from N 0.000 %NC 0.00 1 122.762-121.166 145.543 -12.072 127.832-157.636 141.282 -0.795 130.744-171.695 172.181 162.608 112.598 171.518 164.946 -18.301 91.588 54.734 153.399-102.529 93.649 71.119 117.149 -55.346 98.496 -68.093 141.922 85.908 93.877 -54.930 120.919-126.401 95.322 174.498 115.938-136.126 136.036-160.314 145.700 -76.726 127.541-142.343 157.632 16.534 129.053-168.918 145.041 172.136 118.705 -61.872 144.780 76.201 92.732 -22.386 140.975-140.057 94.515 97.800 146.967 -92.047 127.136-137.620 107.671 18.520 123.696-165.481 142.600 -2.878 127.707 179.344 138.748-149.701 93.719 52.314 111.619 47.368 94.065 76.915 136.675 -11.292 93.859 42.425 176.460-179.234 92.836 48.540 139.476-110.868 91.799 46.123 128.744 134.818 92.620 53.050 123.956 -66.583 93.820 84.359 143.054-121.993 126.449-102.825 157.945 175.663 136.012 -89.411 0.000 0.000 117.106 0.000 132.496-174.215 # 9 total E -7.07276E+01 rmsd from N 0.000 %NC 0.00 1 91.704 22.717 117.423 -84.037 127.400-156.836 162.776 -79.015 130.453-170.300 146.986 17.852 129.460-143.975 146.188-122.655 130.519-166.395 153.592 -74.682 127.360-146.268 127.045 66.683 127.869-178.122 124.183 -69.067 107.980 -63.531 93.138 74.835 97.520 -22.606 136.387 -93.378 93.336 97.923 76.850 67.406 117.870-142.495 113.224-118.039 129.896-165.173 114.036 -58.792 123.510-145.509 136.917-152.403 128.717-162.695 142.154 123.376 119.659-158.801 175.976-119.926 124.760-148.950 150.992 175.501 121.149-169.246 136.348 30.151 113.048 -64.307 144.933-127.139 93.045 -20.793 74.494 -89.056 94.640 93.715 100.103 -85.527 129.660-129.359 169.348 161.712 133.584-169.564 154.973 64.304 126.492-144.126 154.133 -97.844 128.320-166.218 146.506 64.015 131.421-167.867 140.920 -23.912 111.942-175.090 109.733-107.946 95.724 98.494 0.000 0.000 118.444 0.000 136.259-154.344 # 10 total E -5.98371E+01 rmsd from N 0.000 %NC 0.00 1 91.737 121.655 143.794 27.168 124.510-154.081 134.555 24.283 137.982-138.453 143.519-157.951 128.941-167.370 161.997 -45.614 126.899-133.163 154.404 -81.961 126.636-165.331 137.878 78.186 131.820-152.700 160.945 -34.362 96.532-177.337 115.366-126.057 159.680 -34.237 130.916 -95.259 137.868 -28.574 132.010-151.678 132.875-153.952 138.436 -86.536 117.121 -63.619 142.881-120.012 93.360 -24.332 126.795 162.438 93.610 101.782 144.013-133.943 127.309-124.933 159.401 15.172 115.449 44.724 58.908 -73.121 124.754-156.615 122.387 -51.455 132.710 -79.210 144.531 -86.053 122.213 -54.204 113.480 132.421 123.456-164.487 143.147 26.480 132.330-127.458 161.578-160.035 130.256-166.213 164.830 -54.117 124.212-133.462 149.966-142.282 127.583-159.790 119.043 98.074 134.399-152.525 162.123-171.925 121.872 -65.448 121.166-117.272 134.335-119.162 0.000 0.000 118.457 0.000 130.996 167.629 # 11 total E -5.97222E+01 rmsd from N 0.000 %NC 0.00 1 91.771 126.553 139.482 -52.286 127.256 -88.369 122.526 74.039 146.101-175.072 85.672 -80.676 96.383 46.661 104.018 -84.832 114.677-155.357 137.988 -79.139 133.827 177.148 119.417 -64.623 131.141 28.063 162.938-119.753 124.977 -58.885 134.793 128.995 136.921 -17.495 0.000 0.000 129.260-159.386 123.417 -65.382 132.582-148.681 170.501 -35.535 95.768 50.055 143.424 170.516 126.329 175.032 75.705 -52.370 128.120 -72.572 157.278 -2.809 92.041 -22.557 127.271 -37.350 93.003 101.569 131.857-131.023 124.559-142.863 142.444 -19.912 93.066 53.655 135.745 28.698 124.579-168.441 109.701 17.898 131.444-147.041 155.952 -1.223 95.218 54.355 93.808 -99.316 135.640-177.355 106.172 -61.988 94.695 48.895 128.920-141.408 117.983-157.669 137.946 -14.337 144.275-154.080 122.196 -67.389 121.814 -66.782 150.789 125.344 145.401 -93.094 0.000 0.000 117.341 0.000 130.668 176.500 # 12 total E -6.80259E+01 rmsd from N 0.000 %NC 0.00 1 91.717 57.026 136.421-104.024 122.291-172.902 123.995 -35.304 133.144-154.368 147.471 90.125 129.664-133.425 131.890-130.871 130.314-167.370 149.186 -70.895 128.289-148.010 146.589 59.862 127.271-161.328 164.744 -59.545 119.426 -11.782 145.273-139.591 124.172 -99.297 162.348 116.686 145.239-175.200 135.222 -16.146 123.252-119.200 124.328-122.978 132.792-172.543 153.417 -4.596 114.595 -59.573 126.862 168.968 92.314 -26.279 141.552-131.839 94.050 94.868 122.793 48.039 128.860-119.832 124.067 150.702 132.277-167.766 134.996 -39.955 124.280-114.291 119.090 42.803 126.287-160.497 81.043 -49.146 94.533 25.598 129.740-121.520 123.136-152.792 149.974 112.001 123.237-166.978 161.828 132.345 127.149-140.769 147.008 -93.074 122.322-162.612 122.089 54.139 132.340-142.764 149.345 155.089 122.009-174.266 142.233-129.873 95.707 105.798 0.000 0.000 118.960 0.000 126.793-152.743 # 13 total E -6.90013E+01 rmsd from N 0.000 %NC 0.00 1 91.722 60.610 140.055-111.296 140.450 -81.608 150.288-104.998 133.991-163.004 134.518 24.882 125.974-153.438 135.169 -71.808 91.971 43.476 129.445 -76.758 123.292-170.265 115.582 82.563 113.093 -55.970 142.575 -78.870 92.620 -33.552 94.407 -68.662 95.710 93.832 136.387 -93.378 122.444-111.186 137.879 -16.794 125.582 27.485 147.356 -82.623 118.506-168.153 81.070 -81.407 131.803-163.792 92.304 67.281 103.346-122.790 125.338-165.134 92.615 39.004 124.298-168.024 91.793 53.404 123.473 -34.960 91.081 67.955 118.164-135.467 90.968 48.554 129.836 -84.329 92.284 40.171 119.376 148.107 93.312 41.912 99.902 -72.605 93.875 45.232 176.460 175.608 92.169 44.878 144.663-123.395 91.660 48.334 115.018-118.594 92.657 58.385 119.432 -45.842 93.334 84.035 136.869-113.521 122.447-102.590 137.984-127.599 136.102 -88.937 0.000 0.000 117.105 0.000 132.206-173.155 # 14 total E -6.22456E+01 rmsd from N 0.000 %NC 0.00 1 91.713 57.438 135.428-100.660 127.591-171.522 131.414 -15.812 138.657-162.393 118.098 -84.560 129.956-147.599 141.515 -63.103 128.478-167.366 152.383 -83.271 129.725-145.072 160.995 -79.432 129.731-157.382 155.019 -42.237 95.115 -36.100 148.376-120.394 126.393 -20.086 0.000 0.000 94.291 -53.923 114.822-143.499 91.776 119.443 142.989 -73.183 94.844 20.481 125.458-107.341 117.788-158.169 120.565 134.880 123.793-164.552 123.655-179.583 126.292-145.952 153.429-170.444 127.715-168.065 119.551 -67.198 121.959-159.820 157.362 63.944 123.743-105.060 144.809 147.160 91.476 55.383 89.068-120.655 90.674 43.603 90.910 -94.869 92.210 51.289 124.250-104.373 91.882 41.646 117.245-112.313 92.432 48.033 112.302-125.279 92.779 49.512 123.209 -63.005 93.551 77.290 136.392-128.667 93.434 155.322 131.044-117.924 95.509 93.313 0.000 0.000 118.392 0.000 133.316-163.289 # 15 total E -7.25830E+01 rmsd from N 0.000 %NC 0.00 1 91.723 58.891 137.460-107.105 136.348-159.684 135.874 -21.055 128.144-152.210 154.015 164.904 130.005-172.677 166.604 -38.131 127.054-154.226 151.290-102.471 129.724-176.138 152.832 -68.523 120.776 -74.823 141.730 -83.132 93.423 -12.998 88.248 -89.736 97.056 88.263 0.000 0.000 126.942-149.873 149.228 19.233 126.741-159.475 153.393 -0.689 120.176-158.611 139.446 140.400 121.386-157.696 144.117 124.283 117.892-166.339 132.713-155.396 104.091 -69.056 144.323 -11.912 92.795 -17.712 89.888 -88.137 94.693 95.696 102.867 -97.227 121.449-134.700 150.462-153.726 133.761-171.714 130.142 -17.269 126.483-150.421 134.394 -46.079 124.706-169.583 146.321 -97.554 124.375-163.377 169.395 174.600 93.671 40.901 150.797-163.831 123.190 -87.780 116.502 68.446 114.647 177.872 139.827 120.723 131.238-177.133 153.448 145.074 132.500-106.989 0.000 0.000 118.001 0.000 113.842 135.047 # 16 total E -6.55436E+01 rmsd from N 0.000 %NC 0.00 0 122.467-118.264 147.198 4.315 130.682-148.472 131.129 22.523 131.868-165.557 162.145-176.474 126.170-134.720 168.847 -28.063 130.388-167.660 151.826 -68.045 127.450-140.404 143.838-104.990 123.687-170.453 138.991 -71.878 124.036-149.662 152.422 153.796 94.694 49.059 136.387 -93.378 124.614-163.457 124.192 26.063 132.301-168.823 147.894-107.163 95.044 102.717 90.538 -93.019 99.326 -28.124 125.494-135.984 93.068 -59.002 142.551-136.302 102.944-171.788 146.622 112.907 131.693-163.982 116.605 44.095 92.475 44.191 107.848 -58.186 123.338-175.515 128.408 32.645 133.460-156.595 158.362 -67.786 122.122-166.181 142.780 9.471 132.056-132.389 141.293 122.887 131.949-167.274 143.851 66.685 123.154-138.104 137.045-138.024 130.520-154.223 152.476 103.462 132.159-168.485 158.927-168.600 124.844 -67.370 123.848-110.627 128.518-141.942 0.000 0.000 119.307 0.000 129.569-166.632 # 17 total E -6.73693E+01 rmsd from N 0.000 %NC 0.00 1 91.719 59.282 137.963-104.251 131.834 -76.697 143.066 -14.059 126.387-162.697 119.231 -84.714 138.722-141.975 116.042-113.878 92.338 28.775 129.456 -75.774 117.836 -55.176 140.044 -55.091 98.901 144.051 144.478 -82.499 116.034 -55.957 144.364-121.908 94.405 20.039 0.000 0.000 111.597-129.193 112.352 -40.211 135.619-173.742 149.950-123.851 95.010 60.780 147.791-144.998 93.218 140.165 127.310-175.301 93.974 79.185 125.138-137.337 114.446 -41.025 151.583-116.240 92.324 72.344 130.134 -37.126 92.372 36.699 140.103 -48.433 92.652 49.936 131.636-156.082 92.070 43.765 117.241 161.349 93.040 42.545 103.541 -79.448 93.337 43.399 130.029 -95.297 92.952 44.692 133.593-123.446 91.808 47.889 116.407-120.481 92.186 51.412 120.826 -65.424 93.386 77.009 134.745-126.824 93.474 155.595 129.336-120.709 95.532 92.916 0.000 0.000 118.354 0.000 133.794-163.800 # 18 total E -5.99796E+01 rmsd from N 0.000 %NC 0.00 1 91.744 118.809 129.826 -50.928 130.599-166.801 140.103 53.136 135.796-163.740 134.551 -29.334 114.834-171.008 134.055-117.165 143.302-167.241 149.035 -41.319 91.251 37.882 114.543 -61.185 119.968-164.767 170.011-163.783 132.183 -66.304 153.769 -78.178 118.925 4.608 129.681 -95.316 106.452 -35.505 119.814-137.026 95.856 139.191 141.177 -71.531 117.944-159.251 142.493-153.905 116.067 32.364 143.372 128.476 116.543-165.145 152.538 -18.021 142.607-175.613 141.587 -8.515 110.160-166.352 95.505 -37.156 139.055-170.793 139.738 -10.863 105.969-103.755 110.710 -61.338 91.695 53.319 117.016 172.983 91.327 64.532 153.188 -16.036 92.412 40.643 132.863 -36.772 93.281 46.000 160.965 141.253 91.918 48.336 126.749 124.318 92.536 54.719 123.355 -81.887 93.550 90.818 145.445 -95.917 126.866-104.192 152.978 147.883 135.273 -88.834 0.000 0.000 117.088 0.000 132.695-173.046 # 19 total E -6.67363E+01 rmsd from N 0.000 %NC 0.00 1 91.719 58.751 137.862-105.553 129.326-165.181 135.954 -13.670 142.189-140.713 163.922 151.330 115.260-164.508 152.333 19.088 139.172-149.424 162.214-101.006 112.790-171.539 110.150 -74.936 115.057 -53.168 135.693 105.860 92.493 -30.782 121.241 128.303 96.618 95.617 0.000 0.000 124.964-123.446 121.572 -77.717 124.686-163.123 152.309 -25.472 134.436-149.673 167.195 160.290 109.169-165.516 134.247 153.934 150.462-148.298 135.794-107.104 114.226 -69.534 152.250-165.052 91.271 74.777 146.384 41.535 90.429 51.616 123.057 -22.401 91.454 46.030 163.804 113.474 92.056 42.116 116.194 141.479 92.226 43.401 109.194 -96.771 92.797 43.170 136.874 -41.061 92.801 45.730 161.259-130.062 91.240 48.517 119.250-119.005 92.295 58.828 114.568 -62.536 93.255 82.266 139.115 -95.233 123.118-101.980 137.442-129.070 136.294 -90.765 0.000 0.000 117.183 0.000 132.236-177.422 # 20 total E -6.55860E+01 rmsd from N 0.000 %NC 0.00 1 91.718 60.035 137.914-102.213 135.286-162.765 128.014 -69.269 128.742-144.634 162.661 28.765 97.857 48.867 165.266 -57.668 127.943-170.533 133.652 -71.313 135.454-166.994 146.840-113.952 120.085 87.011 119.387 -92.979 93.250 -8.869 135.890-115.485 103.294 -70.049 0.000 0.000 106.009-176.924 110.165 34.751 129.157-161.534 138.310-133.482 95.466 50.059 144.948 113.589 121.601-168.740 114.649 12.486 139.011-145.397 154.524-115.723 120.199 -81.538 141.820 172.680 91.739 67.690 97.292 -16.175 90.388 48.174 127.838 -29.621 91.654 44.672 152.643-147.576 91.944 48.045 95.653 12.639 91.772 43.013 139.065 -3.368 91.849 47.877 127.655 -76.100 92.604 43.465 131.870-109.741 92.073 48.526 128.319 165.355 92.671 51.591 126.630 -75.814 93.800 80.278 139.975-121.941 125.640-102.579 156.537-157.094 128.224-164.688 0.000 0.000 119.966 0.000 130.824 166.197 # 21 total E -6.20058E+01 rmsd from N 0.000 %NC 0.00 1 91.716 62.010 139.640 -99.969 136.636-155.493 135.414 -9.245 134.303-139.105 138.082-134.966 127.216-159.768 143.030 -87.078 130.654-168.426 153.997-112.188 92.759 98.305 76.547-101.122 95.155 -20.931 113.800 -91.536 99.601 -66.469 123.047-101.345 94.804 179.809 138.566-121.812 138.120-154.026 164.495 12.082 121.582-151.365 157.576 -55.666 127.616-160.342 142.006 123.152 110.860 -58.969 131.629 148.331 92.649 -24.215 141.026-164.721 94.968 95.922 115.784 71.902 123.073-130.066 53.838 74.752 140.604-170.325 124.886 -64.537 124.024-153.631 169.304-177.238 125.387 -94.893 125.195-138.795 91.166 55.277 136.703 176.017 91.252 46.894 84.119-110.866 92.419 46.756 141.253-111.849 91.823 46.718 136.409 118.075 92.656 51.714 122.238 -61.101 93.726 82.631 135.138-124.920 126.345-103.657 158.205-176.163 129.038-163.529 0.000 0.000 119.826 0.000 134.632 167.234 # 22 total E -6.80890E+01 rmsd from N 0.000 %NC 0.00 1 121.944-119.904 153.354 19.707 129.226-166.340 124.548 34.821 94.271 54.091 101.124 137.087 120.901-161.454 168.038-111.377 140.038-166.474 136.051 -63.188 92.327 70.972 81.455-107.632 133.474 162.037 109.927 -90.786 107.814 -67.298 146.840 85.934 92.935 57.312 0.000 0.000 101.321-127.418 115.944 19.908 94.597 67.078 140.612 -74.754 96.343 99.029 144.178-140.508 125.372-120.362 137.337-129.778 119.210-163.164 116.302 -85.942 133.264-158.303 113.770 171.905 93.664 45.929 100.239 7.181 126.377-179.902 145.238 -6.811 91.318 59.614 152.930-104.120 92.887 43.499 100.753 2.177 93.235 44.607 141.710 6.320 92.377 47.073 112.968-124.040 92.679 42.832 133.143-101.509 92.531 43.970 130.465-165.542 93.481 50.231 125.273 -69.266 94.018 78.320 140.853-137.862 122.089-102.254 150.780-128.667 129.026-163.795 0.000 0.000 119.895 0.000 132.342 163.906 # 23 total E -6.65475E+01 rmsd from N 0.000 %NC 0.00 1 91.693 69.983 125.662 11.195 121.785-172.191 166.079 177.013 134.479-116.102 117.905-142.746 129.787-134.434 152.641 -14.111 107.427 -68.517 119.337-116.795 93.993 -42.200 122.188 -55.455 93.257 95.395 134.876 -91.767 111.665 -68.686 120.096 -79.069 138.203 -35.998 0.000 0.000 141.450-159.407 160.187 -71.568 118.383-158.522 143.046 -74.939 128.877-142.231 151.180-166.276 125.919-169.373 117.918 10.793 130.200-148.223 135.707-145.632 118.423-170.022 126.544 45.533 115.496 -61.257 143.694 -54.878 92.745 -24.273 86.132 -86.815 93.560 99.081 146.561-127.121 127.684-130.516 128.967 1.587 125.903-169.041 108.470 -73.222 132.672-143.957 153.232 132.100 127.047-167.808 136.785 72.963 128.634-137.470 138.900 7.053 127.066-156.416 109.245 114.806 143.362-174.366 51.355 -96.995 125.568 -66.916 158.080-144.996 120.870-157.908 0.000 0.000 119.857 0.000 128.686-173.366 # 24 total E -5.78438E+01 rmsd from N 0.000 %NC 0.00 1 91.721 58.499 137.876-101.554 123.964-173.410 138.597 -12.119 132.556 -67.389 134.622 -72.031 129.145-138.626 131.021-111.841 92.930 37.980 130.780 -76.700 124.449 -80.381 133.484 58.876 108.421 142.837 140.688-109.058 98.951 -70.473 133.465-111.881 94.612 51.918 121.664 -29.084 105.573-170.140 136.342 -81.580 153.308-173.907 146.032-101.254 91.895 35.885 136.022-147.248 115.615-158.851 136.610 49.650 145.845-147.792 120.803-164.738 121.252-105.216 121.432 -73.012 92.759 58.881 83.014-129.340 93.139 81.592 117.171 39.123 117.011-177.018 174.187-178.497 94.101 76.189 123.105-175.430 93.397 136.900 101.196 -83.734 137.053-174.523 134.342-124.868 94.968 27.729 150.148-108.855 117.965-141.959 137.211-133.685 135.850-151.773 149.464 10.945 134.049-161.678 153.772-149.109 124.080-172.357 89.917 -98.022 95.677 86.390 0.000 0.000 118.113 0.000 134.469-175.665 # 25 total E -5.65359E+01 rmsd from N 0.000 %NC 0.00 1 91.721 59.057 138.350-105.428 128.083 -80.622 139.070 -18.800 138.826-150.571 140.258 73.571 130.699-143.540 125.042-110.231 92.345 39.433 130.297 -76.084 124.696 -69.212 144.478 46.455 107.332 137.906 130.497 -94.759 107.668 -72.042 129.827-122.060 94.024 47.076 139.091 -82.036 106.227-165.378 143.218 81.131 142.441-165.717 150.430 -80.571 92.420 43.673 136.418-148.313 129.601 -78.500 134.539-151.762 112.670-162.017 149.455 -3.044 134.146 -78.358 133.158 -27.848 95.061 -28.735 138.480-130.979 100.282 152.660 128.303 -32.240 114.357-170.271 149.241 -2.551 92.992 66.860 113.889 156.353 93.259 133.378 132.682-142.625 123.617-134.633 131.190-108.314 92.682 53.231 166.294-164.800 91.879 44.592 124.851-108.116 93.142 54.879 125.631 -31.804 93.646 80.095 132.099-128.907 120.640-102.340 134.960-121.038 136.566 -87.233 0.000 0.000 117.005 0.000 131.824-167.286 # 26 total E -7.15585E+01 rmsd from N 0.000 %NC 0.00 1 91.764 125.602 126.214 7.136 131.125-155.422 136.282 44.651 131.022-140.180 126.041-135.518 130.805-168.198 141.405 -72.585 131.705-156.658 146.213 -59.202 93.574 35.078 115.428 -55.800 127.526-167.859 176.422-172.208 130.261-173.416 57.392 79.095 95.291 102.383 143.157 -74.799 97.727 -22.055 169.215-115.759 95.527 -66.521 142.461 -74.823 106.071 174.055 112.242 39.601 132.684-162.192 117.022 126.063 95.806 41.211 137.934 142.037 119.099-163.557 154.432-146.368 132.881-160.161 154.771 33.150 118.337-156.108 134.067-132.195 120.808-162.988 141.295 163.447 112.179 -59.483 122.888 -45.759 91.544 -23.898 99.477 -82.132 95.189 97.313 143.381 -38.752 124.237-132.195 160.558 117.431 136.658-173.342 154.347-176.028 126.398-145.905 134.209 34.647 137.115-162.877 176.429 137.377 127.570 -68.543 151.673-138.025 142.397 -93.535 0.000 0.000 116.963 0.000 143.247 173.873 # 27 total E -5.72628E+01 rmsd from N 0.000 %NC 0.00 1 91.703 47.325 125.511-136.203 123.692-162.977 149.031-174.008 130.424-159.953 129.251 -24.116 122.200-148.665 133.203-118.327 130.208-167.365 165.968 -86.298 126.595-146.987 120.859 69.270 126.752-174.483 134.580 -84.129 109.178 -63.202 114.128 113.825 96.882 -21.483 0.000 0.000 94.007 95.443 78.935 68.388 122.412-136.785 132.462-104.313 132.096-164.723 151.503 -5.356 121.267-150.333 129.000 166.712 128.844-167.990 153.221 175.284 126.182-143.238 139.956 41.412 125.445-162.578 144.120 106.266 93.247 74.512 126.038-136.459 131.119 141.356 114.466-134.523 100.760 -29.082 102.461 -43.478 91.826 -79.248 115.809 -70.645 93.583 64.481 150.413 95.364 96.557 76.244 116.412 -74.908 139.081-134.262 135.656 102.538 119.824-144.727 98.675 125.002 137.538-161.874 168.733 174.683 123.608 -66.048 128.321-125.911 135.463-114.510 0.000 0.000 118.226 0.000 131.900 165.303 # 28 total E -7.09662E+01 rmsd from N 0.000 %NC 0.00 1 122.279-114.773 159.405 -76.449 129.839-154.364 132.071 15.843 130.882-170.969 115.843 133.212 130.189-143.839 139.009-110.440 123.504-171.272 150.004 -85.521 139.169-165.418 162.342 106.477 113.507 147.560 136.214 -72.919 98.151 -68.697 136.163-116.918 92.212 49.284 0.000 0.000 111.980 -98.669 95.292 -54.318 118.571-159.338 130.691-108.406 132.475-159.401 148.810 -22.406 113.277-158.001 122.949 37.918 117.453-160.385 139.611 61.946 122.470-142.737 124.133 177.370 125.849-169.941 150.681 144.437 108.732 -56.243 137.145-126.331 91.699 -29.417 147.501 -37.899 93.780 101.512 104.371 14.669 119.127-127.756 150.468 176.066 135.853-168.749 176.439 147.086 123.050-143.142 139.342-109.113 130.529-174.283 164.470-123.743 127.170-142.709 150.373 35.377 129.583-165.668 94.440 -79.637 133.194 -75.893 148.638-134.117 134.079-156.191 0.000 0.000 119.266 0.000 128.095 117.280 # 29 total E -6.39474E+01 rmsd from N 0.000 %NC 0.00 1 91.722 58.368 139.427-114.440 125.016-161.586 153.509 135.940 125.613-128.195 133.417 16.236 134.710-156.229 118.941 -46.217 93.990 48.811 126.802 -77.160 134.839-173.696 115.208 87.481 110.820 -58.967 148.549 -82.029 91.949 -31.612 118.888-124.137 96.018 90.632 0.000 0.000 124.415-100.881 130.203 -19.074 127.405 31.637 168.715 -62.786 128.891-166.288 94.822 -86.452 134.491-147.496 141.688 66.034 98.434 30.005 111.721-159.586 121.843-135.251 139.452 -53.557 146.219-169.747 162.294-102.333 123.823-134.357 139.471 -79.881 123.693-173.389 131.083 27.002 120.022 -62.625 127.159 139.591 92.031 -23.074 84.283 -93.526 94.828 98.283 176.486-179.507 127.243-140.413 121.440 -68.442 118.888-171.761 142.809-169.301 131.623-107.409 176.489 -65.318 152.738-169.622 71.933 -91.683 120.729 -60.249 131.118 100.110 140.666 -93.966 0.000 0.000 116.609 0.000 152.767-138.576 # 30 total E -6.23509E+01 rmsd from N 0.000 %NC 0.00 1 91.742 0.464 113.203 -77.999 115.622 177.317 140.876 -30.162 92.903 57.047 121.784 9.565 137.778-171.006 134.852 -85.318 133.193-158.427 130.339 -50.425 111.455-169.956 119.655 54.220 130.974-163.882 164.192 158.427 93.397 36.632 132.537-115.179 118.763-168.958 0.000 0.000 130.172-179.368 93.436 67.154 94.516 91.628 119.111 -79.724 94.501 -8.709 140.649-179.198 101.298 -76.373 104.303 -39.216 94.205 179.891 150.624 -24.847 134.235-170.607 136.845-143.133 92.728 31.909 136.944 -72.024 117.864-169.033 133.065 51.715 135.273-162.679 153.066 25.616 108.414-168.258 101.912 3.693 141.581-150.783 170.097 127.256 117.670-100.769 126.997-111.097 93.876 43.112 150.557-105.792 92.326 57.788 93.900 -91.358 93.358 82.265 139.426 -44.648 93.262 78.954 143.362-119.074 117.430-104.677 137.184-123.801 133.881 -77.257 0.000 0.000 116.319 0.000 131.535-136.495 # 31 total E -6.36990E+01 rmsd from N 0.000 %NC 0.00 1 91.794 -15.246 100.440 -64.356 132.392-156.090 133.973 15.437 130.397-165.312 145.999 141.038 119.172 172.762 162.462-142.329 91.964 61.412 130.326 -76.698 94.307 63.458 86.806 -86.163 105.898 -66.205 161.841 -94.297 94.955 -54.498 102.857-109.601 95.544 179.431 0.000 0.000 136.707-160.299 136.227 -31.854 122.482-143.659 144.496 -91.022 94.197 73.838 147.445-154.873 94.059 107.628 108.428 -89.959 138.265 -75.361 161.161 147.523 131.237 -44.101 135.145 137.692 92.185 56.955 137.992 41.257 91.450 40.349 127.335 -41.654 92.050 50.882 148.969-146.404 90.713 45.032 115.188-159.497 91.123 43.715 102.447 -78.623 91.270 53.477 136.221 -97.820 91.035 44.669 131.028-108.691 91.476 46.945 109.172-121.634 92.814 56.087 117.267 -60.519 93.414 83.478 143.049-120.262 121.722-102.719 139.174-125.293 136.122 -88.957 155.620 125.600 117.092 0.000 132.221-173.084 # 32 total E -6.26300E+01 rmsd from N 0.000 %NC 0.00 1 91.734 60.961 146.460-167.746 120.077-159.107 129.991 23.165 141.758-132.731 143.345 105.923 126.401-165.254 131.403 -71.878 129.500-146.317 129.695-131.103 122.781-169.755 68.058 -97.978 123.850-160.207 170.157 141.496 94.049 46.080 129.840-115.742 125.055-176.269 0.000 0.000 125.077-179.361 98.581 81.926 95.181 92.668 160.234 -38.490 94.712 -9.804 132.969-136.676 100.690 -74.916 95.882-112.066 94.181-179.968 143.369-147.785 126.899-168.866 144.938-109.812 92.709 39.037 137.309 -78.798 123.627-172.901 134.591 48.179 127.314-157.773 148.240 12.503 115.539-166.242 109.412 -4.683 132.224-138.915 163.388-174.782 121.849-159.491 127.937 -92.593 124.656-160.237 148.592 -94.456 92.469 50.398 89.232 -94.148 117.178-160.266 94.654 -95.035 146.700-177.751 87.937 -89.300 121.406 -67.215 106.030-118.132 125.820-154.726 0.000 0.000 119.269 0.000 145.639-175.909 # 33 total E -6.18007E+01 rmsd from N 0.000 %NC 0.00 1 91.720 58.962 139.096-106.256 125.809-175.332 144.694 -69.302 136.299-141.693 145.766 16.235 129.371-146.711 170.838 -89.759 129.877-170.166 151.742 -79.203 133.740-149.168 138.322 63.882 126.287-164.788 134.392 -81.260 123.728-172.812 108.958 101.504 94.794 134.465 136.387 -93.378 112.445 -59.466 108.308 -82.289 94.628 36.672 131.870 -94.437 121.037 -91.324 101.453 -61.648 105.885-169.925 107.499 126.920 129.316-163.467 147.633 -52.601 121.815-159.143 143.720 140.628 125.729-156.195 155.616 156.537 120.775-156.728 136.313-128.753 120.747-166.402 140.269 13.797 113.348 -62.685 105.780 45.622 92.276 -21.215 102.997 -87.430 95.483 97.686 164.117 -0.193 123.936-138.307 121.886 -72.135 131.282-172.560 148.923-178.346 130.842-144.173 161.935 169.112 130.422-168.103 141.799 7.569 111.671 179.990 134.160-114.071 134.258 -93.016 0.000 0.000 117.491 0.000 125.101 164.224 # 34 total E -6.78268E+01 rmsd from N 0.000 %NC 0.00 1 91.731 113.014 123.206 -46.333 130.694-167.602 134.973-104.480 132.779-145.059 143.897 3.104 128.655-142.382 141.084 -88.798 125.771 -76.776 136.831 -91.961 97.156 -51.279 120.433 -57.863 93.476 84.539 138.955 -88.530 103.051 -69.124 100.538 88.135 160.086 -46.141 0.000 0.000 135.442-155.532 133.725 57.282 123.760-162.081 162.961 -63.574 128.953-142.114 136.475 114.962 119.645-171.008 127.614 155.609 112.893 -64.595 120.608-151.582 92.427 -22.461 126.843 -36.452 94.114 95.402 132.696-130.015 127.130-131.278 144.780 -4.929 127.617-165.254 158.669 -7.953 125.887-142.619 136.374 -47.243 128.868-165.043 150.580 5.337 138.027-163.532 171.582 151.959 123.044 48.624 147.258 82.515 102.302 -62.560 129.541-149.170 93.210 -23.072 132.040 -31.380 94.962 114.408 139.698-111.068 122.619 -84.613 133.659-130.549 140.135 -93.522 0.000 0.000 116.606 0.000 149.912 126.228 # 35 total E -6.32227E+01 rmsd from N 0.000 %NC 0.00 1 91.719 58.426 138.477-105.496 123.799-179.365 130.712 -70.285 131.273-135.976 146.593 14.708 141.767 -86.501 137.126 -74.252 125.573 -13.459 124.533 -88.940 123.880-133.661 124.633-118.527 132.161 137.731 167.001 -45.821 105.477 -74.754 117.604-118.155 92.322 60.109 108.370 -82.244 103.680-151.494 110.300 -52.600 136.767-120.332 176.502 -52.833 129.451-168.293 150.053 167.778 115.945 -58.227 156.441 167.245 91.975 -26.328 141.287-147.152 94.119 93.566 118.896 -77.165 130.954-115.062 145.779 171.822 129.612-158.739 146.656 -15.528 124.345-163.288 143.229 -26.130 93.092 61.224 85.013 41.457 122.367 -99.217 143.590 -24.652 123.740 134.086 173.949 168.943 111.591 174.612 133.451 -88.955 142.941-170.828 124.773 84.140 92.808 45.057 116.781-105.652 116.435-171.810 136.292-143.626 127.473-173.327 164.547-160.092 135.752 -85.502 0.000 0.000 116.914 0.000 131.618-163.352 # 36 total E -5.98214E+01 rmsd from N 0.000 %NC 0.00 1 91.710 120.437 159.522 -18.988 134.482-148.156 147.724 -85.438 105.932 165.073 127.878 -19.109 96.232 92.390 127.004-120.339 119.675 175.737 144.399 -79.063 149.539 179.085 129.029-122.789 96.158 45.613 115.805 -74.058 146.221 -62.816 140.407 116.405 134.029 -17.694 127.674-110.136 137.105 -44.699 126.521 37.544 131.142-161.614 161.805 27.100 133.066-160.600 135.017 71.532 93.242 50.313 98.554 129.133 124.234 178.779 109.947 -84.173 121.859 -76.322 140.823 9.711 92.521 -19.372 81.486 -74.121 93.349 99.966 105.175 -66.244 119.682-146.656 127.150 -36.178 94.761 49.201 87.746 -59.477 126.808-174.370 154.664 -62.424 123.296-170.014 154.464 -11.050 92.144 47.622 133.195-157.271 124.950-142.087 127.931 -46.770 93.706 49.788 114.678 36.838 121.149-177.344 176.453 159.910 122.474 -68.153 101.329-104.586 132.402-113.373 0.000 0.000 118.188 0.000 131.715 172.630 # 37 total E -5.81265E+01 rmsd from N 0.000 %NC 0.00 1 91.734 65.396 155.825-147.372 123.619-160.055 117.546 -39.569 143.427 -83.420 115.717-100.171 121.237 99.292 125.769-100.383 91.133 -51.042 128.579 -77.478 92.309 -36.591 111.444 62.996 99.336 177.345 142.446 -85.711 134.186 -81.282 84.191 79.608 125.481 -8.848 136.387 -93.378 125.081-107.429 123.357 35.884 149.158-177.713 146.961 -73.444 122.724-121.640 133.350-122.928 129.477-172.362 138.873 128.020 108.624 -63.802 152.012 -22.834 92.880 -21.939 127.253 -36.271 94.399 95.045 133.116-131.058 127.230-122.473 143.512 -6.602 129.008-169.777 176.425-136.452 128.404-103.004 132.605 150.359 135.090-164.470 120.277 -81.006 91.630 118.524 140.356-105.287 92.287 54.260 136.420-110.268 92.190 43.704 88.846 -91.150 93.376 54.453 117.180-112.540 93.422 77.526 137.472-111.855 116.884 -97.045 132.829-120.035 126.558-162.624 0.000 0.000 119.870 0.000 132.594 179.014 # 38 total E -6.35241E+01 rmsd from N 0.000 %NC 0.00 0 122.713-118.918 143.579 4.925 130.173-154.769 143.852 4.192 124.342-166.839 123.671 -42.944 129.068-138.703 143.591-138.521 127.974-166.659 163.895 -73.916 131.677-131.161 149.353-107.671 120.256-179.355 142.027 -77.098 135.697 -73.908 137.375 124.847 131.522 -12.164 116.341-115.523 126.362-149.626 129.249 -25.050 133.529-166.427 148.163-118.495 94.902 104.122 157.755-165.411 97.362 -26.609 116.354-100.621 92.706 -61.458 109.437 -83.382 101.318-173.008 142.896 66.902 126.556-160.957 100.084 37.444 92.495 44.997 117.885 53.258 127.670-165.064 125.008 -43.298 121.508-118.126 138.118-128.721 134.693-169.458 158.278 177.591 129.224-137.278 164.740 150.646 127.776-165.672 165.223 114.339 125.953-142.645 143.449-127.645 126.158-155.508 131.930 65.799 133.084-171.332 162.080 5.567 124.953 -70.961 115.443-118.777 134.223 -98.759 0.000 0.000 117.383 0.000 137.909 174.238 # 39 total E -5.95599E+01 rmsd from N 0.000 %NC 0.00 1 122.511-118.248 147.113 4.468 130.642-148.544 131.080 22.608 131.734-165.590 161.682-176.362 126.304-134.541 168.487 -26.263 129.976-168.206 153.456 -69.530 128.600-138.691 143.231-103.656 123.149-168.293 141.832 -73.627 122.197-152.599 150.360 144.381 93.993 64.611 0.000 0.000 121.525-147.468 132.235-147.701 130.697-111.181 166.985-138.203 114.100 52.933 144.235-144.140 98.612 -55.063 124.193-163.802 93.487 170.810 150.068 -31.473 139.190 176.139 145.310 177.647 93.588 87.604 130.415 -47.123 126.655 -69.270 140.507 -24.140 131.144-162.738 148.130 -3.402 131.145-144.941 147.422 -87.145 123.378-163.972 143.329 10.130 132.960-130.708 145.469 132.560 132.007-168.031 143.029 67.010 123.158-138.127 137.241-137.506 130.510-154.262 152.489 103.151 132.156-168.440 158.761-168.416 124.825 -67.310 123.868-110.578 128.599-140.862 0.000 0.000 119.282 0.000 129.678-167.979 # 40 total E -6.05586E+01 rmsd from N 0.000 %NC 0.00 1 91.718 58.286 137.965-104.189 123.817-171.927 128.757 -44.513 129.762-151.179 113.911 -63.867 124.937-141.061 136.474-135.746 136.937-143.334 151.142 -62.951 114.880-165.473 147.287 -64.700 134.651-103.232 149.855 67.371 111.590 118.618 127.981-125.771 108.270 -11.726 0.000 0.000 89.144 -62.589 117.019-153.289 93.409 47.692 155.044 -20.833 131.204 155.255 153.041 15.471 119.773-121.153 127.643 -49.826 126.367-165.250 151.813 143.534 130.599-141.395 153.571 121.294 112.478 -13.030 98.756-129.735 98.511 166.479 130.721 -9.945 133.928 178.968 153.173 17.903 92.860 67.825 96.656 9.264 94.697 132.704 144.116 -13.558 140.184-154.487 118.122-106.883 94.236 21.563 111.439 -69.800 129.104-144.599 129.299 116.321 126.549-163.060 152.548 2.403 129.033-141.155 142.867-159.948 120.806-178.791 137.479-109.412 136.831 -84.328 155.620 125.600 116.878 0.000 129.299-156.869 # 41 total E -6.31313E+01 rmsd from N 0.000 %NC 0.00 1 91.696 35.001 112.420 -83.193 133.870-163.104 135.545 -12.833 125.257-171.743 146.304 141.620 129.661-154.779 147.434-104.792 133.808-158.833 152.053 -79.715 126.381-127.026 130.195 66.790 130.452 105.740 122.995 -92.436 94.865 13.160 97.677-104.513 130.351 -39.536 0.000 0.000 96.245 -34.996 73.524 -80.235 93.404 168.873 142.587 -74.527 122.163 49.251 162.550 -3.949 106.587-154.956 90.791 -42.331 125.932-159.941 129.804 149.611 119.544-160.547 160.725 78.516 118.580-148.991 106.302 12.662 124.934-170.292 136.883 24.807 115.316 -64.619 143.836-130.421 93.537 -19.774 72.328 -90.562 94.671 94.141 98.794 -83.777 127.977-137.803 172.496 157.466 131.718-166.822 168.481 89.805 123.073-138.734 139.111 114.145 129.546-166.836 144.476 36.283 132.950-159.592 147.540-148.330 118.984-177.633 127.264-106.757 135.454 -81.823 0.000 0.000 116.649 0.000 128.298-143.010 # 42 total E -5.89866E+01 rmsd from N 0.000 %NC 0.00 1 91.725 7.836 121.120 -65.385 126.265-140.646 148.057 -98.068 132.237-160.505 143.427 13.035 121.330-155.684 162.450-128.216 92.928 69.322 130.495 -76.691 127.965-122.934 121.701 69.262 130.909 163.028 141.178 -82.722 124.802 -79.698 136.023-129.082 94.256 71.809 105.514-112.561 129.648-158.282 148.474 62.749 94.640 36.930 143.544-102.932 127.121-164.420 102.186 -69.131 126.859-143.724 139.184-154.817 123.327-170.185 147.102-163.424 113.436 -65.983 145.845 -17.792 92.966 -20.310 89.488 -85.226 94.247 95.578 102.050 -92.418 127.410-133.019 157.049-146.080 128.551-164.162 131.351 0.227 128.706-157.339 148.447 -15.862 136.832-136.116 142.325-133.480 122.316-133.853 155.038 -83.163 93.235 67.822 79.812 -74.748 92.505 89.200 111.130 -59.611 140.039-108.107 92.484 -90.234 110.837 -65.729 113.241-125.786 131.393-131.789 0.000 0.000 118.721 0.000 139.044-179.040 # 43 total E -6.63942E+01 rmsd from N 0.000 %NC 0.00 1 91.680 72.207 123.207 8.100 121.732-169.478 153.840 26.489 137.549-134.846 123.628-143.648 129.784-149.901 138.370 -67.887 124.899 -84.886 135.400 -87.694 95.896 -51.803 124.933 -55.192 94.000 89.288 131.281 -94.685 95.235 -73.891 117.805 -82.873 160.140 -55.179 0.000 0.000 121.870-144.398 132.844 50.798 125.916-163.075 166.521 -37.378 122.041-159.823 152.678-166.268 92.849 75.389 107.213 24.043 123.811 131.898 98.164 -88.280 91.720 -57.745 123.225 -27.647 92.688 -29.872 96.479 -76.003 93.942 93.493 106.121 -91.831 132.776 -90.925 157.109-150.735 126.820-160.712 121.436 -18.804 133.398-152.369 176.435-171.087 123.336-161.727 149.437 34.850 126.392-125.233 131.554 -70.622 118.327 1.332 134.845 140.756 110.759 -68.377 142.784 26.061 93.508 86.268 126.063 146.428 129.313 -96.308 84.005 -77.568 133.736 -89.319 0.000 0.000 116.542 0.000 147.768-148.174 # 44 total E -5.79222E+01 rmsd from N 0.000 %NC 0.00 1 91.739 117.582 116.976 -35.144 124.748-148.593 156.730 45.116 142.852-159.290 141.091 -5.989 115.067-158.588 134.134-102.588 129.578-157.238 154.622-125.489 93.131 73.011 89.329-116.161 127.674 159.548 105.873-109.393 113.836 -66.232 153.533-118.387 93.169 55.439 124.189 -96.838 101.115-124.202 114.906 20.818 94.459 59.862 141.432 -75.094 96.353 101.842 136.308-129.785 124.935-116.717 135.826-161.761 124.109-163.230 154.378-160.817 133.607-150.843 169.992-123.033 120.918-163.091 116.140 43.451 142.047-166.222 149.020 14.438 92.351 24.495 142.826 -31.192 121.893 -93.747 101.016 -30.714 118.130 176.485 141.462 -6.982 117.086 165.988 118.643 -86.750 127.523 77.999 130.244-100.269 93.503 -56.439 124.731-147.187 92.358 -31.070 141.089 -30.765 93.826 107.369 126.736-117.012 124.580 -84.996 128.064-114.226 129.807 -75.564 0.000 0.000 116.393 0.000 133.741-154.399 # 45 total E -5.77556E+01 rmsd from N 0.000 %NC 0.00 1 91.735 4.712 127.344 -97.748 130.265-167.289 123.153 89.220 131.781-157.909 143.192 4.525 126.287-144.894 165.597-112.496 130.069-167.442 138.815 -84.811 128.418-141.661 171.680 -68.213 128.117-156.861 125.084 -73.188 123.039 -55.904 160.250-148.579 143.992 -32.277 0.000 0.000 135.962-158.860 135.494 6.564 120.921 -67.673 147.601-101.445 92.876 -24.138 145.471-144.683 93.217 105.018 114.461 10.988 118.020-139.006 155.020 5.380 115.058 40.190 134.097 152.387 114.416 162.046 107.076 -23.443 117.058 42.925 126.634 -87.588 118.510-138.393 144.979-154.957 128.434-165.360 121.138 -5.861 124.532-143.879 152.602-134.434 128.940-166.764 105.645-101.056 122.484-154.148 165.443 168.711 130.070-174.661 166.414-132.100 91.673 83.490 118.005-104.117 94.562 107.792 109.169-134.237 125.368-104.703 140.408 129.488 135.179 -86.516 176.430 137.376 116.961 0.000 131.693-166.430 # 46 total E -6.16901E+01 rmsd from N 0.000 %NC 0.00 1 91.721 108.501 126.998 -39.109 121.371 178.367 149.460 83.649 124.832 178.012 149.727 10.300 94.827 47.402 141.296 -75.151 122.195-166.349 142.618 -81.366 132.655-153.122 139.289 51.059 124.700-179.956 139.487 -98.068 129.082 -77.668 151.354 124.058 132.959 -43.450 143.157 -74.799 140.400-169.596 130.846 -24.182 122.392-135.799 135.447-128.258 130.541-171.641 134.183 -77.901 119.862 -62.489 149.992 -44.820 92.777 -23.403 110.966 -84.410 94.405 95.073 123.965 -76.113 129.374-131.307 140.266 151.829 130.508-166.119 139.135 -22.790 126.025-139.162 145.378-173.735 121.692-119.128 109.928 -38.929 117.766-159.527 140.054-145.950 134.924-163.248 87.052-117.292 124.817-153.827 160.575 -89.048 92.987 36.475 120.463-123.307 121.958-127.097 112.871 64.806 93.947 88.684 101.179 -71.878 114.366 -92.626 140.797-112.643 136.046 -92.155 0.000 0.000 116.704 0.000 149.466 177.435 # 47 total E -6.85123E+01 rmsd from N 0.000 %NC 0.00 0 91.726 58.705 138.453-108.774 126.637-159.448 146.282 90.313 132.336-164.663 131.384 37.823 130.122-153.019 148.685 -75.511 92.110 36.097 128.958 -76.526 119.626-172.685 131.071 64.694 119.772 -65.260 119.392-110.778 93.028 -26.703 116.575-115.858 95.543 97.113 133.038 58.142 123.543-128.442 144.427 174.450 112.757 27.289 117.272-112.624 113.271-160.804 128.479-129.175 134.630-157.497 126.770 3.272 128.870-152.699 150.645-140.573 116.720-170.545 126.130-161.403 118.550 -61.866 152.990 -47.295 92.185 -24.827 83.404 -88.498 93.504 98.908 150.164-132.414 127.366-135.149 128.079 1.377 127.410-167.387 107.449 -73.296 130.334-148.696 155.862 140.077 132.927-173.974 131.858 -88.942 120.019 14.226 149.050-164.681 114.367-158.641 48.081 122.402 94.455 58.883 144.793-123.922 124.885 -84.511 136.414-124.203 132.050 -99.443 0.000 0.000 116.934 0.000 144.510-168.940 # 48 total E -5.59185E+01 rmsd from N 0.000 %NC 0.00 1 91.804 123.087 163.420-133.095 120.530-121.407 132.867 1.874 146.185-154.366 116.493 137.833 123.239-162.506 145.168 -97.432 125.722-153.510 146.900-107.031 93.603 46.949 116.547 -51.661 131.052-177.143 151.550 74.710 121.661-168.213 151.975 -93.204 94.190 110.319 0.000 0.000 98.692 -33.571 122.070 160.360 94.150 -51.561 143.025 -76.887 108.993 174.247 134.557 46.664 122.727-167.151 122.885 143.386 94.693 48.846 136.531 164.329 125.251-170.916 150.235-124.017 131.616-152.625 107.654 20.756 119.818-159.721 130.750 58.136 133.195-169.091 162.767-142.978 92.736 66.432 121.526-157.108 123.901 -67.778 102.967 -89.148 132.153-170.597 176.413 154.180 92.929 52.651 159.351-139.838 91.609 49.916 109.390 -80.799 92.869 55.686 118.664 -55.094 93.281 74.398 131.868-118.135 117.982 -97.645 128.725-120.937 128.626-160.248 0.000 0.000 119.548 0.000 141.570 175.612 # 49 total E -6.77933E+01 rmsd from N 0.000 %NC 0.00 1 91.719 57.964 138.557-105.919 120.036 177.827 157.093 -48.907 115.590 162.945 121.917 -28.278 94.580 36.267 115.120-126.588 132.687-164.297 149.376 -86.350 130.487-145.948 141.372 52.960 125.647-160.679 162.448 117.649 125.160 -36.992 152.381 -97.397 144.791 -13.876 133.038 58.142 134.419 -11.810 88.508 73.063 127.784-165.440 130.930 -81.474 135.385-145.241 141.915 -71.345 121.258-170.815 131.706 167.875 113.983 -65.188 142.816-158.443 92.788 -21.728 126.958 -36.974 94.069 96.307 132.476-129.695 126.593-134.135 150.236 -13.350 126.520-160.449 131.612 16.073 122.904-153.441 127.551 122.826 94.286 54.856 128.294-173.435 118.839-174.956 88.637-119.576 135.358 53.796 127.776 -87.879 112.572-127.843 147.325-155.929 130.455-163.931 157.468 124.460 131.436-153.179 161.066-134.745 111.838-177.908 127.425 120.422 95.512 77.641 0.000 0.000 117.871 0.000 129.190 159.259 # 50 total E -5.60085E+01 rmsd from N 0.000 %NC 0.00 1 91.719 58.839 138.288-103.753 125.686-169.467 116.493 -58.633 135.291 -80.241 108.763 -73.879 132.837-146.348 176.473-100.527 124.754-151.550 144.589 -35.253 95.037 37.089 133.385 -72.761 123.768-167.964 164.830 125.284 113.999 -64.668 135.656-116.992 94.947 -23.594 0.000 0.000 93.205 95.776 108.192 63.739 126.281-124.656 164.198 -73.955 116.614 29.351 154.412 159.120 120.222-162.817 135.877 -18.882 134.191-158.616 125.425 -8.214 120.145 -88.203 154.131 152.204 93.054 83.405 101.162 16.663 91.469 67.800 121.989 33.187 107.752-171.617 155.837 -27.895 93.332 65.937 94.967-122.818 93.769 145.673 116.786 -71.796 129.262-146.821 126.792-115.262 129.840 16.842 166.954-107.316 113.561-129.214 136.861-157.395 131.263-161.509 148.530 117.570 94.877 88.125 130.072-138.907 128.956-102.867 134.178 121.124 129.801-155.879 0.000 0.000 119.445 0.000 141.105-177.374 # 51 total E -6.36807E+01 rmsd from N 0.000 %NC 0.00 1 91.715 58.235 138.128-104.780 122.722 177.701 123.785 -35.581 127.474-176.159 120.974-103.501 128.609-152.885 129.742-112.569 131.967-143.683 149.913 -88.132 126.143-160.633 169.749 -79.438 124.508-142.463 134.324 -81.278 93.496 112.658 141.852 87.165 126.575 88.899 162.348 116.686 128.232 -94.644 125.516 142.623 123.924 2.903 135.377 -96.154 128.211-159.647 135.095 41.028 125.843-160.048 154.034 66.179 94.642 102.090 118.858 167.824 97.217 -22.061 111.745 -90.825 93.754 -65.561 89.668 -50.822 98.134-171.171 115.313 -58.484 123.537-163.186 143.721 -26.543 92.960 52.083 98.029 11.194 124.057-162.276 143.940 -12.001 130.340 -92.155 138.252 -90.731 131.793-166.503 161.160 -89.779 126.806-131.583 125.175 116.445 128.895-163.873 62.100-111.976 130.845-153.577 142.119 123.080 119.146-173.690 120.374-116.948 95.692 106.479 0.000 0.000 118.924 0.000 127.683-150.698 # 52 total E -5.73024E+01 rmsd from N 0.000 %NC 0.00 1 91.760 122.196 138.684 13.318 115.620 39.566 124.655 45.220 130.228-167.733 140.954 100.992 115.137 -60.976 132.862-124.888 92.058 -28.076 129.398 -76.106 93.837 98.902 87.616 -93.863 132.637-106.401 170.939-142.093 119.780 -69.411 131.989-121.190 171.449 -71.956 121.664 -29.084 93.452 32.150 112.065 -5.509 122.101-168.862 163.123 -5.084 133.435-158.471 116.174 105.394 124.835-174.327 133.130 160.356 117.299 -65.578 149.324 145.627 93.520 -20.412 127.298 -37.396 94.108 97.924 132.771-130.507 124.588-144.108 143.209 -35.198 127.741-162.490 137.840 -6.156 116.573-159.413 140.864 174.673 93.901 28.053 146.347 -4.237 118.383-170.620 149.913 97.375 91.791 47.423 139.520 97.620 92.200 52.848 93.433 -64.603 93.210 46.364 126.729 -69.947 93.955 71.809 127.434-138.319 122.480 -96.656 150.969 138.672 127.597-163.539 0.000 0.000 119.618 0.000 140.269 156.847 # 53 total E -6.15316E+01 rmsd from N 0.000 %NC 0.00 1 91.712 76.157 144.987 -77.813 130.194-113.756 166.639 -46.063 119.018 178.440 74.351 -98.782 97.145 112.289 116.868 -76.123 91.599 -40.638 129.029 -75.485 92.413 -54.049 118.353 -58.149 102.114 177.244 137.297 -72.565 110.877 -79.192 127.270 -87.464 139.200 -95.881 0.000 0.000 136.326-157.970 132.030 27.960 93.843 35.750 139.398 -72.016 123.763-168.292 151.863 18.595 132.250-157.784 119.029 55.503 94.651 48.757 122.575 150.418 125.878 174.995 107.087 -87.144 127.603 -71.710 147.257 -64.290 91.896 -23.808 81.865 -86.150 92.780 103.154 152.112-133.376 122.477-144.224 126.250 10.744 94.344 49.353 105.638 -73.380 126.253-172.445 170.557 12.219 126.739-160.275 148.944 -80.981 92.479 41.983 134.662 164.142 120.571-158.110 86.421-134.858 132.287-156.729 128.089 -33.448 120.918 -66.118 116.095-117.856 140.462 -83.817 0.000 0.000 116.780 0.000 132.900-158.381 # 54 total E -5.58768E+01 rmsd from N 0.000 %NC 0.00 1 91.711 116.766 145.982 31.820 122.343-169.598 128.989 8.888 134.796-167.110 136.712-141.725 129.096-156.055 153.359 -6.338 134.623-149.655 167.763 -83.565 128.282 135.485 133.027 -54.426 122.002-126.748 105.576 -91.868 95.401 139.402 106.690 111.087 141.300 -65.653 0.000 0.000 121.488 10.716 136.485 -31.362 114.576-108.907 137.411-115.165 135.977 32.235 144.768 25.191 118.254-172.174 134.858 70.842 130.175-153.038 166.400 9.265 129.434-177.629 151.249 -56.613 117.657 -64.967 170.225-162.457 92.761 -23.948 107.283 -60.281 92.908 102.135 147.026 -29.684 118.274-147.271 129.726-167.004 127.304-157.256 149.275 -31.932 127.442-148.629 175.201 155.279 93.858 44.870 161.649-168.964 128.457-164.115 139.664 118.866 94.711 43.594 124.292 -83.758 119.795-172.249 149.134 133.400 127.515-176.640 127.880-115.206 122.753 168.919 0.000 0.000 120.289 0.000 129.632 154.917 # 55 total E -6.35640E+01 rmsd from N 0.000 %NC 0.00 1 91.727 54.029 140.013-146.262 92.828 49.611 131.628-109.119 125.196-166.819 127.787 -13.523 126.632-151.703 130.030-117.708 126.042-166.367 164.589 -91.653 125.789-142.005 119.779 73.791 127.445-174.876 133.416 -84.298 107.734 -62.393 114.735 115.801 96.554 -22.751 162.348 116.686 93.882 96.280 79.314 66.207 121.510-133.838 129.757-106.855 131.733-164.558 148.245 -16.784 122.328-141.565 128.893 165.470 127.501-165.932 156.632 151.621 122.674-147.202 129.798-170.875 94.400 46.678 123.454 57.006 128.473-166.695 127.447 46.216 90.907 73.211 160.209 -94.462 90.553 49.517 121.182-177.781 91.678 43.371 92.125 -81.494 92.384 47.935 146.134 -91.171 91.995 45.607 135.160-105.454 91.597 47.963 111.570-122.528 92.333 49.899 118.566 -66.206 93.500 76.597 138.767-127.847 93.499 156.197 129.796-120.617 95.526 92.821 0.000 0.000 118.342 0.000 133.653-164.065 # 56 total E -5.96034E+01 rmsd from N 0.000 %NC 0.00 1 91.784 124.598 130.100 28.625 122.939-161.235 119.804 -40.927 130.528-106.487 159.083-165.951 123.815-119.964 158.723 170.659 92.066 66.622 130.795 -76.669 92.625 101.436 86.735-103.357 128.824 108.256 157.571-125.196 130.798 128.063 143.346-115.187 131.356 -93.721 121.664 -29.084 94.378 31.680 57.711 87.722 116.513-164.406 118.649-124.490 137.359-166.650 148.604 -23.561 118.874-147.430 134.177-138.472 134.929-167.926 151.459 71.264 124.573-126.447 157.841 -89.798 133.717-173.653 160.857 129.042 109.024 -56.317 145.426 114.664 92.065 -30.408 148.079 -32.405 94.464 97.412 131.138-162.542 118.868-124.700 113.304 -68.639 138.161-162.732 164.092 152.047 122.019-129.339 165.127-149.014 142.700-173.687 107.609 -66.066 117.085-150.057 118.946 57.577 139.619-161.176 165.508-159.878 117.457 -60.513 143.920-122.727 143.044-102.504 0.000 0.000 117.823 0.000 127.001 163.291 # 57 total E -6.44415E+01 rmsd from N 0.000 %NC 0.00 1 91.721 58.032 138.487-106.149 121.476-179.347 147.775 -62.430 128.778-170.233 132.383 24.710 122.920-159.198 147.101 -95.408 92.368 49.763 129.964 -76.662 125.244-169.960 125.897 -75.694 133.179-173.354 136.002 56.586 92.987 97.473 90.917 -76.496 101.500 -14.017 0.000 0.000 93.000 -71.398 108.567-149.146 98.233-177.265 142.623 -74.306 137.630-168.544 129.365 35.424 92.550 48.360 111.863 -54.575 118.421-167.924 152.390 150.361 91.030 74.030 118.973 3.333 90.829 44.060 70.418 -67.578 91.322 52.957 126.428 -39.436 91.208 52.187 155.633-142.007 91.435 44.553 136.385 130.035 92.370 41.883 105.398 -82.135 92.995 46.809 130.682 -81.661 92.231 44.779 138.786-116.107 91.615 48.649 115.673-118.423 92.041 52.542 118.825 -62.749 93.240 77.353 136.956-121.617 93.454 154.997 129.004-121.323 95.511 92.535 0.000 0.000 118.331 0.000 134.161-164.389 # 58 total E -5.65868E+01 rmsd from N 0.000 %NC 0.00 1 122.427-131.754 146.669-109.292 135.730 -70.600 138.257 -60.538 125.818-174.962 100.939 -94.694 129.203-179.906 137.775 -47.018 92.021 68.268 129.188 -76.123 131.403 -70.975 150.218 45.734 120.358-171.591 132.087-100.666 130.673-158.463 152.294 151.824 92.849 46.909 153.559 146.939 125.389 -76.059 131.987 150.675 125.234-177.645 138.246 -96.796 127.820-125.251 154.696 11.815 102.299 18.557 110.981 141.190 95.238 159.711 128.647-123.828 125.400-157.905 55.663 113.921 93.617 16.370 141.818-149.789 118.478 171.060 160.195-153.613 116.873-163.644 130.040 149.594 93.277 51.638 117.619-174.165 92.225 43.180 81.597-108.397 92.293 53.286 126.002-114.816 91.610 47.125 131.117-119.199 91.584 47.195 84.565 -64.364 92.837 52.349 120.366 -72.823 93.795 82.955 133.035-130.883 112.987 -74.140 132.383-119.542 122.204-154.627 0.000 0.000 119.908 0.000 119.923-159.323 # 59 total E -6.01859E+01 rmsd from N 0.000 %NC 0.00 1 91.689 69.182 137.328 39.761 119.988-168.897 131.330 -24.266 129.179-171.909 112.731-139.142 129.369-161.738 127.224 -64.472 132.523-133.169 157.649 -80.168 123.119-162.433 161.414 90.047 130.941-147.463 166.532 -30.092 125.815 -42.059 157.141-179.363 95.953 92.568 130.916 -95.259 116.914-107.241 115.606 -35.755 140.970 174.879 148.975-102.449 110.993-161.887 163.007 1.053 94.395 58.774 116.756 145.920 94.149 78.697 117.569 -89.795 150.337 -85.127 116.878 79.661 120.801-144.546 137.860 -51.504 125.984-169.486 137.642 14.890 115.531 -66.773 138.490-148.164 93.449 -20.623 62.438 -89.644 94.302 94.592 100.322 -75.356 123.298-143.277 161.354 14.056 126.796-142.363 161.723 158.373 119.948-160.449 148.845 54.061 131.313-137.370 101.190 129.401 130.716-159.394 94.393 -90.086 119.025 -56.762 143.098-134.258 122.160-157.812 0.000 0.000 119.989 0.000 123.925 161.619 # 60 total E -5.81937E+01 rmsd from N 0.000 %NC 0.00 1 91.721 54.456 138.026-107.570 92.747-177.235 131.919 -19.382 93.498 53.065 128.584 26.982 122.841-167.362 127.420 -78.719 134.106-160.100 142.782-105.943 117.998-170.085 124.378 -55.484 128.483-150.157 158.441 149.085 109.301 162.659 150.222 104.365 135.345 68.707 0.000 0.000 118.051-102.321 120.227 -49.173 126.813 91.668 170.773 -70.077 93.296 -27.813 137.421-117.047 99.199 -53.676 80.680-104.456 92.740 174.591 145.767-135.103 127.304 50.746 152.952 -41.375 118.198-118.224 127.045 -50.023 128.058-164.845 140.566 17.104 126.182-148.580 151.761-169.230 118.618-166.957 113.211 8.629 127.107-151.771 143.475 154.798 94.036 44.765 112.923 -91.297 127.059-170.728 161.185 -98.011 91.174 66.094 142.604 79.974 92.642 97.564 104.140 -53.841 138.922 -92.899 92.978 -87.502 108.618-173.950 109.401-119.482 138.666 -74.750 0.000 0.000 116.462 0.000 113.033-132.207 # 61 total E -6.21784E+01 rmsd from N 0.000 %NC 0.00 1 91.696 34.161 113.930 -88.117 136.087-165.320 141.974 -1.171 110.844 -61.520 127.721-125.008 93.609 -26.652 143.848 -75.154 92.158 102.554 130.777 -76.546 123.165-132.834 124.199 56.646 124.336-106.783 112.014 -61.739 126.720 -62.684 153.203-165.343 96.724 91.307 124.189 -96.838 129.417-104.841 97.513 -81.017 94.465 99.511 142.427 -74.513 93.915 117.149 151.114 123.847 93.793 108.357 112.975 28.359 116.204 -93.416 106.934 -92.282 91.816 64.830 141.900 109.936 91.717 42.487 112.609 -23.604 92.453 46.179 111.060 -47.596 91.878 44.212 168.281 174.128 92.525 42.693 114.432 159.041 92.695 44.382 104.494 -77.736 93.203 42.507 134.753 -80.248 92.755 46.100 143.750-115.944 91.507 46.779 116.733-121.970 92.100 52.692 119.808 -69.319 93.200 75.378 138.053-122.370 93.551 156.539 128.454-122.129 95.543 92.560 0.000 0.000 118.340 0.000 134.052-164.277 # 62 total E -7.00388E+01 rmsd from N 0.000 %NC 0.00 1 91.748 122.116 141.935 24.370 124.541-153.353 134.765 30.861 137.907-144.156 142.222-153.786 126.871-159.993 163.391 -34.331 122.728-160.905 120.629 -43.543 92.772 56.148 119.116 49.502 125.117 138.179 128.538-101.536 121.350 -77.392 141.501 -74.642 128.873 -10.248 0.000 0.000 131.237-160.683 151.185 -33.257 131.600-153.751 159.673 6.689 121.432-171.049 150.820 132.978 121.382 -63.956 143.669 175.909 92.842 -22.875 142.758-136.987 94.156 94.953 114.607 -76.619 129.604-137.052 147.679-179.714 128.627-162.683 150.008 -8.275 117.860-159.690 141.264 -17.519 93.327 52.064 119.611-164.355 122.273 177.549 141.532 -29.228 134.918 -87.489 134.662 -91.472 126.496-155.791 135.496-101.054 135.921-151.705 153.729 -5.641 122.369-156.893 122.595 82.471 135.894-157.086 151.166 177.165 123.124 -64.637 122.354-110.516 130.881-138.203 0.000 0.000 119.195 0.000 131.095-178.775 # 63 total E -5.89217E+01 rmsd from N 0.000 %NC 0.00 1 91.695 60.665 117.149 -42.650 138.323-163.367 133.554 -22.435 125.810-143.501 135.644-133.927 128.306-166.006 169.861 -44.189 128.175-145.603 158.286 -89.876 127.009-166.814 136.774 56.488 124.864-153.573 174.857-165.918 94.222 56.221 123.961-116.023 128.823 177.638 0.000 0.000 133.260-160.551 153.706 -59.496 122.719-172.545 162.178 -37.117 116.340 -63.449 151.334-154.378 91.926 -23.809 86.339-106.524 94.455 100.825 143.908-133.042 124.916-135.304 151.264-116.954 127.849-165.648 159.768 -8.462 125.249-154.484 143.480 75.323 92.963 52.419 135.298 137.815 129.630 179.707 110.390-112.388 128.458-154.149 176.445-162.895 125.147-167.233 163.118 -6.542 126.501-146.559 155.216 122.630 125.303-166.354 150.066-151.935 130.370-147.528 136.759 24.890 128.813-126.143 142.735 126.068 124.945-177.917 147.980-133.891 95.692 105.673 0.000 0.000 119.040 0.000 123.921-153.492 # 64 total E -6.14844E+01 rmsd from N 0.000 %NC 0.00 1 122.018-154.460 126.227 -78.657 127.256-158.447 134.210 34.887 137.210-141.249 142.694-155.390 128.499-166.294 160.657 -18.718 127.952-133.243 156.639 -77.607 126.124-163.476 140.325 69.577 128.173-143.182 171.524-137.465 118.574 -66.160 150.471 87.280 166.003 -51.391 0.000 0.000 135.014-152.494 130.154-139.337 122.920-171.618 136.913 -75.218 117.806 -63.801 145.585-151.092 90.991 -23.922 83.177-101.202 94.748 98.874 144.372-136.115 125.822-135.230 154.030-108.932 128.741-162.035 93.896 132.637 124.562-157.416 141.087 43.972 137.970 107.382 153.086 14.324 120.115 -89.139 60.225 -81.200 130.839-154.377 152.923 29.862 130.976-132.553 170.884 9.559 128.546-166.452 169.725-140.794 125.353-133.654 162.685 -98.164 128.008-160.474 120.164 90.134 134.376-153.668 161.063-167.937 122.059 -65.797 121.618-116.679 133.798-123.115 0.000 0.000 118.550 0.000 132.170 170.295 # 65 total E -6.27970E+01 rmsd from N 0.000 %NC 0.00 1 91.680 49.820 118.842-174.812 92.515 176.293 112.940-127.071 94.631 62.200 99.069 148.674 122.920-168.839 162.671 -13.434 92.705 -60.525 130.255-110.484 94.595 -33.147 119.556 -57.378 93.728 94.406 140.156 -89.186 119.086 -85.791 136.538 129.731 132.831 -4.947 160.092 -72.037 129.494-157.138 151.697 -23.354 128.596 175.773 133.977-125.268 118.836 160.487 161.222 167.470 134.835 40.520 84.322 -90.709 118.471-110.738 147.706-154.448 92.055 49.577 158.543 120.706 91.519 46.510 110.203 -31.123 91.924 45.467 135.518-119.261 92.105 45.103 120.500-121.627 92.849 42.310 117.227 171.275 92.854 42.516 110.238 -82.918 92.987 45.215 123.472-109.510 92.675 44.447 134.374-118.109 91.956 46.656 115.168-123.151 92.509 51.390 124.288 -76.597 93.380 77.036 134.194-125.455 93.458 155.522 129.769-120.818 95.527 92.998 0.000 0.000 118.351 0.000 133.652-163.749 # 66 total E -6.42072E+01 rmsd from N 0.000 %NC 0.00 1 91.720 54.125 136.888-152.522 93.243 -12.836 135.625-125.433 130.532-127.139 106.090-135.933 129.538-128.763 133.800 -38.230 109.599 -71.061 121.448-104.376 93.688 -36.832 123.198 -54.211 93.855 94.804 137.642 -93.197 116.535 -69.132 132.455-104.935 137.767 -40.265 0.000 0.000 131.684-155.390 131.535 76.665 96.337 40.798 128.344-121.906 124.480-173.304 124.213 48.162 129.220-158.336 97.832 40.470 94.469 47.372 121.083 135.176 125.173 177.052 100.941 -84.497 125.552 -73.275 133.344 29.931 91.531 -22.390 96.082 -78.100 92.714 103.643 146.869 -35.623 121.336-145.730 139.773 -31.350 94.559 47.158 102.253 -87.491 125.012-169.970 147.873-114.339 124.521-161.878 150.888 -77.098 93.187 42.338 131.179-145.166 122.496-165.654 87.495-130.546 145.225-156.241 153.804 -89.881 123.599 -67.196 111.088-116.911 126.043-154.662 0.000 0.000 119.750 0.000 130.143 179.391 # 67 total E -6.07601E+01 rmsd from N 0.000 %NC 0.00 1 91.707 48.398 121.940 -90.544 136.566-148.751 137.201 57.183 127.102-162.867 159.270 3.175 136.649-158.088 164.785 -31.314 92.090 32.752 130.455 -76.902 117.327-151.539 127.553 93.313 134.837 -92.772 130.415-115.750 95.627 -9.656 96.138 -83.896 96.268 88.216 162.348 116.686 118.812-160.173 143.840 111.304 96.142 56.659 123.650 -93.442 124.295 -20.228 147.437-174.514 125.832-154.369 131.666 51.404 143.589-150.459 116.537 -8.470 123.944-144.941 158.573-100.680 127.357-164.936 163.154 174.748 109.706 -56.805 139.036-123.725 91.698 -28.196 150.851 -36.085 93.914 101.515 106.687 12.563 118.529-131.199 148.961 172.254 137.066-167.860 172.638 179.541 124.052-151.883 169.020 175.712 140.150-175.008 135.353-107.722 115.476 45.940 117.812 -76.865 140.364-158.624 143.628 111.984 119.183 -69.998 103.355-104.990 127.607-152.965 0.000 0.000 119.166 0.000 147.105-170.954 # 68 total E -5.98952E+01 rmsd from N 0.000 %NC 0.00 1 91.752 122.188 141.625 26.240 124.365-154.989 130.882 18.486 136.135-139.619 142.385-153.299 127.767-163.979 160.662 -3.781 127.904-139.755 122.807 -76.963 124.234-168.177 136.194 60.520 126.850-148.374 169.844-157.058 96.458 162.823 125.817-110.938 134.477 69.240 0.000 0.000 119.193-104.319 136.463 172.791 136.915-162.913 150.803-100.193 129.683-126.263 156.079 -0.897 94.828 61.953 109.858 140.320 105.632 -64.537 132.294-119.911 92.460 157.783 119.812 -76.452 144.981-176.834 142.479 75.810 101.733 172.444 89.370 -76.394 130.501 50.361 176.295 1.210 121.207-107.598 108.898 -20.911 123.893-169.525 169.781-165.059 131.104-141.678 167.358-178.930 125.192-166.724 169.175 -96.488 127.457-135.470 139.295 110.553 126.142-160.108 81.534-108.177 134.266-154.032 155.869-173.323 122.604 -65.077 121.101-110.038 132.354-129.527 0.000 0.000 118.862 0.000 131.142 174.838 # 69 total E -5.52557E+01 rmsd from N 0.000 %NC 0.00 1 91.727 61.096 141.755-106.664 123.996-161.577 140.012 53.642 133.645-133.461 134.757 141.934 128.191-165.827 137.471 -93.901 126.887-150.209 164.802 -85.863 93.698 41.228 123.832 -53.003 130.213-167.887 176.448-146.476 117.075 -56.797 138.724-127.565 146.155 -51.324 162.348 116.686 147.553 178.723 137.154 -51.460 104.301 -55.455 132.230 -91.952 94.047 -27.628 93.086 -78.139 93.736 103.300 95.213 28.791 121.486-113.945 153.739-164.258 119.842-168.458 127.475-116.781 122.090 37.838 94.330 64.249 107.633-159.025 109.915 70.291 93.338 45.412 136.887 159.076 120.895-172.786 111.022 6.982 132.890-147.239 149.930 -7.401 122.228-159.101 128.716 -81.217 127.267-152.662 153.565-137.691 126.919-177.599 148.187 -94.247 92.463 82.116 132.395 -80.779 94.523 108.983 107.583-122.403 124.504-104.921 128.598 120.474 135.281 -87.715 0.000 0.000 117.039 0.000 131.863-169.728 # 70 total E -5.95260E+01 rmsd from N 0.000 %NC 0.00 1 91.796 131.671 125.335 59.723 121.496-166.703 132.809 -0.487 128.116-170.517 157.754 159.311 117.946 178.134 166.989-171.387 91.690 61.279 130.385 -76.551 94.377 67.847 80.240 -99.115 97.344 -71.927 125.826 -79.252 93.395 -50.042 111.731-117.469 95.462 175.369 0.000 0.000 136.347-155.111 82.608 111.029 134.052-148.876 154.988 -6.557 118.815-167.260 145.774 168.346 124.065 -59.979 133.451 110.568 92.512 -24.665 124.360-135.790 94.147 94.283 107.871 -85.167 132.416-130.008 148.151-169.108 123.068-160.536 137.241 8.920 124.005-160.104 154.513-173.367 93.026 53.558 66.737 -89.757 125.764 -94.064 93.340 -78.277 110.528 175.419 132.851 116.532 137.145 173.793 165.018 -44.850 92.182 60.163 102.780-112.789 113.821-179.493 104.347-119.508 126.730-176.067 139.943 -23.772 119.141-176.448 96.877-104.837 135.237 -84.797 0.000 0.000 116.894 0.000 130.943-159.865 # 71 total E -7.00901E+01 rmsd from N 0.000 %NC 0.00 1 91.718 61.636 138.249-100.114 129.724-122.152 139.654 40.391 125.606-168.090 153.599 7.439 95.341 50.420 141.728 -74.668 129.512-164.925 162.250 -77.520 111.592 -60.676 128.693 -51.704 94.867 -22.908 137.859 -80.319 94.924 64.040 115.322-118.849 149.210 -42.386 0.000 0.000 135.694 -23.325 134.527 -38.785 129.332-154.463 131.323 -84.809 139.344-134.343 134.996 94.736 126.591 -15.797 129.004-135.110 115.306-111.010 149.202-158.767 91.358 51.098 157.852 35.979 90.833 47.708 94.445 -27.469 90.738 51.401 121.495 -75.029 91.322 47.306 115.861-123.842 92.046 47.880 120.294 165.856 92.243 41.377 108.175 -83.812 92.949 46.287 122.340-107.155 92.280 45.248 129.497-138.260 91.589 44.858 116.641-119.868 92.446 51.247 118.694 -58.907 93.170 83.695 133.868-112.653 93.282 134.573 134.724-122.146 95.375 113.120 0.000 0.000 118.967 0.000 121.261-129.158 # 72 total E -5.68299E+01 rmsd from N 0.000 %NC 0.00 1 122.626-122.387 149.712 167.376 132.343-166.238 138.311 -2.846 112.940 -58.888 131.751-120.071 93.932 -26.109 143.188 -74.514 92.417 97.817 129.589 -76.114 132.887-121.713 162.877 -45.788 124.120-110.064 116.619 -70.367 118.779-175.337 158.676-179.109 149.816 -60.001 142.432 126.337 135.547-145.995 142.655 15.517 126.863-165.662 160.753 -53.224 131.932-142.175 143.425 109.259 121.260-169.815 129.822 149.293 111.881 -64.521 120.330-150.168 92.586 -21.694 126.852 -36.914 94.224 95.568 132.744-130.188 126.842-130.626 145.160 -2.914 127.647-164.908 152.137 -12.319 125.290-146.621 142.286 -54.507 125.123-164.225 149.114 11.099 139.697-165.580 170.017 152.655 121.691 49.530 161.437 102.160 102.256 -64.206 135.332 168.126 92.910 -21.131 130.788 -33.945 95.161 116.022 133.160-100.147 123.184 -86.330 129.751-125.735 139.294 -92.952 151.340 -87.631 116.510 0.000 152.078 127.363 # 73 total E -5.79921E+01 rmsd from N 0.000 %NC 0.00 1 91.722 58.856 138.817-102.684 121.819-175.890 148.562 -19.860 138.067-157.005 145.454 44.879 109.878 164.712 122.821 -48.432 92.333 82.681 128.959 -77.167 94.008 172.427 78.012 99.975 135.991-175.662 144.075 -92.694 108.772 -54.848 124.604-118.798 94.950 67.636 0.000 0.000 104.589 179.210 107.713 -30.964 122.916-168.283 107.390-123.600 151.160-167.115 112.281 -59.089 121.063-141.418 132.041-133.224 123.826-167.942 170.116 179.208 112.387 -62.738 142.882 -24.055 92.764 -22.566 92.611 -84.392 94.266 95.707 102.942 -96.154 126.398-131.049 153.666-152.565 131.458-168.016 121.724 -8.946 126.276-130.486 152.824 13.769 131.098-149.719 127.497 -88.765 92.805 71.302 138.887-126.057 90.804 74.931 113.658 -88.556 91.719 64.805 116.465 -65.534 93.094 65.982 124.172-115.669 114.943 -90.048 126.640-123.277 125.153-161.308 0.000 0.000 119.336 0.000 148.328-166.932 # 74 total E -6.36024E+01 rmsd from N 0.000 %NC 0.00 1 91.752 -0.428 128.244-112.592 136.056-162.830 143.816 127.570 124.316-158.530 125.526 -25.217 123.129-149.004 134.702-123.867 130.227-165.753 166.119 -84.872 126.699-145.799 121.195 69.834 126.663-174.415 134.304 -83.518 108.688 -63.049 114.262 114.341 96.699 -21.790 136.214 -72.919 93.988 95.635 79.137 67.668 122.189-135.786 131.660-104.961 132.022-164.787 150.945 -9.017 121.905-146.998 129.148 166.293 128.756-166.844 153.885 167.101 122.255-150.597 131.780-155.545 125.680-175.391 141.609 108.287 90.512 81.435 117.656-120.394 91.742 50.889 108.921-142.823 93.030 40.774 115.928 155.618 93.530 41.881 106.569 -86.060 93.525 44.741 123.936-107.811 92.581 44.639 137.223-127.474 91.688 46.713 116.683-120.325 92.402 53.085 119.188 -61.483 93.145 77.422 133.557-121.040 93.431 155.089 128.793-121.492 95.507 92.500 0.000 0.000 118.330 0.000 134.167-164.452 # 75 total E -6.85043E+01 rmsd from N 0.000 %NC 0.00 1 91.716 59.954 139.165-104.746 126.901-158.571 163.428 -47.741 131.893-163.582 156.035 0.459 127.851 169.537 172.950 -73.026 116.774 105.095 142.437 -77.764 95.380 108.104 80.607 -95.178 128.095 -96.724 153.492 -79.067 95.447 -41.365 89.147 -90.310 95.153 101.682 0.000 0.000 115.751-155.979 144.857 36.208 131.078-138.063 152.079 14.823 131.189-164.366 165.358-177.679 126.287-146.583 152.390 155.076 120.022-169.984 126.880-163.551 112.350 -64.056 143.979 -19.829 92.599 -22.295 92.478 -85.029 94.233 96.017 102.076 -95.506 127.354-129.378 154.491-148.507 130.428-169.204 144.425 -28.209 127.270-144.608 139.457 -41.676 130.137-163.301 168.341 134.046 125.887-153.148 157.196 -55.458 92.841 45.412 127.661-147.954 125.009-170.842 141.846 0.292 132.556-174.341 130.487 -87.116 127.970 -73.748 107.889-112.909 137.816-116.950 0.000 0.000 118.350 0.000 129.283 154.984 # 76 total E -6.25254E+01 rmsd from N 0.000 %NC 0.00 1 91.705 50.838 127.251-101.278 127.580-161.607 130.985 -24.846 126.013-168.155 154.313 151.693 126.584 173.847 138.739-108.405 91.786 63.941 129.716 -76.733 94.589 60.753 112.931 -60.834 105.427 -68.478 167.028 -89.235 94.810 -51.353 118.661-123.073 95.490 179.330 122.002 106.389 140.410-156.397 159.636 12.345 127.490-145.106 161.694 -26.178 127.584-169.835 136.965 120.082 119.982 -62.334 137.201 164.401 92.760 -24.278 142.797-139.076 94.463 93.875 129.937 -73.919 126.725-134.228 151.708 -21.219 132.386-155.883 137.708-113.339 119.055-161.023 152.271 4.824 109.919 -59.645 125.954 -26.576 91.403 -24.395 109.340 -83.939 95.241 97.020 160.650 8.082 124.573-124.033 165.930-108.302 131.161-168.129 157.895 128.322 128.799-162.227 130.947 68.163 94.970 57.642 107.413 -81.120 129.235-176.972 156.570-130.996 139.294 -72.492 0.000 0.000 115.834 0.000 114.878-111.347 # 77 total E -6.32168E+01 rmsd from N 0.000 %NC 0.00 1 91.719 59.750 138.086-104.166 132.600-156.951 139.926 27.051 143.559 -79.378 118.898 -81.580 123.612 100.582 121.603 -83.535 91.615 -48.768 131.906 -78.565 93.326 -34.502 112.706 62.429 96.303 164.296 141.957 -86.298 133.212 -75.917 106.133 80.033 133.573 -16.146 0.000 0.000 128.848 -60.665 86.991 -95.120 93.967 132.864 111.132-106.525 94.244 132.438 148.347 112.661 93.436 107.486 132.234-145.124 105.325-105.662 109.244 -88.411 92.266 61.735 128.503 117.288 92.956 39.324 102.478 -24.062 93.459 43.618 145.230 47.448 92.401 45.445 139.536 178.708 93.128 40.064 122.018 162.025 93.029 42.282 144.774 -14.490 92.869 46.637 136.351 -54.016 91.949 46.666 140.800-113.565 91.191 47.072 116.764-129.459 92.394 57.962 123.179 -81.650 93.313 83.455 142.778-103.981 123.058-102.461 141.361-129.877 136.140 -90.413 0.000 0.000 117.157 0.000 132.274-176.825 # 78 total E -5.99725E+01 rmsd from N 0.000 %NC 0.00 1 91.712 56.759 133.458 -98.214 129.335-161.445 143.424 31.293 124.936-147.954 139.320 -30.367 96.556 39.816 139.997 -76.385 123.045-172.145 148.034 -75.452 142.180 -73.233 120.971-122.745 93.756 -21.146 130.130-106.934 96.034 79.774 117.665-121.364 147.241-115.372 0.000 0.000 112.492 26.682 121.945 -29.702 118.996-149.700 140.717 -94.608 135.290-159.592 146.356 24.850 127.917-138.973 132.356 168.074 123.920-170.169 112.986 -81.119 113.324 -65.733 144.515 -19.912 92.855 -20.752 90.891 -84.235 94.143 95.454 103.780 -94.985 127.834-133.857 154.989-153.554 129.144-166.056 75.805 -51.453 123.683-155.580 128.662 -81.290 141.945-149.674 138.380 -92.367 128.909-135.350 166.284 104.962 104.804 -31.973 117.736-117.470 95.317 -52.862 136.575 -33.520 93.448 93.836 121.246-104.676 123.666 -93.843 108.421 -92.937 132.714 -79.863 0.000 0.000 116.920 0.000 122.712-160.770 # 79 total E -5.91976E+01 rmsd from N 0.000 %NC 0.00 1 91.685 62.040 124.029 -29.513 93.042 50.038 117.552 32.494 128.137-168.834 96.654 -78.884 134.160-145.785 129.114-110.623 127.285-170.443 143.588 -71.153 129.861-133.261 132.976 71.329 130.385-160.964 154.104 52.903 124.412 -46.656 154.039 146.667 143.173 -24.906 130.916 -95.259 135.866 82.049 120.347 57.930 91.504 -37.039 128.746-101.466 98.637 -42.157 83.730 -76.245 93.450 179.336 120.332 88.990 130.573 56.666 154.159 24.794 112.770-135.896 137.994 -35.747 130.248-166.407 145.703 159.298 124.596-142.325 142.591 -90.829 124.081-164.689 126.264 24.507 122.680-146.599 139.867 156.449 95.117 45.713 132.931 169.733 125.616-164.849 149.164-107.383 91.672 65.959 147.822-111.110 90.436 54.784 99.274 -61.655 92.238 55.121 110.712 -59.950 93.410 74.749 154.259-114.286 119.044 -97.537 130.939-122.502 130.855-153.254 116.920-118.201 119.357 0.000 141.976 177.382 # 80 total E -6.02919E+01 rmsd from N 0.000 %NC 0.00 1 91.720 59.977 138.461-102.627 128.569-158.135 123.911 -36.651 132.185-168.582 112.538 -96.126 129.875-147.642 139.155-133.166 132.222-154.885 152.388 -77.925 123.441-125.299 126.541 69.607 94.883 65.516 133.667 -95.013 92.733 -81.068 117.246 128.047 93.840 141.255 136.387 -93.378 124.332-161.151 116.065 39.070 120.681-162.872 116.998 -81.774 128.872-146.782 144.158-158.981 135.997-153.625 125.268 -20.200 121.372-167.505 134.550 36.935 113.254 -63.447 147.808 -24.112 92.547 -21.983 91.341 -87.330 94.075 95.465 100.868 -95.821 129.021-125.675 156.180-147.398 132.057-164.474 123.450 -0.725 124.407-157.538 145.484 -15.024 94.241 66.172 101.692 -95.339 124.307-177.962 161.683 -96.789 152.154-163.121 150.684 75.067 106.030-168.703 80.396 -90.610 141.351-174.599 160.139-177.501 117.712 -64.260 97.652-101.723 133.610-106.641 0.000 0.000 117.910 0.000 131.267 169.025 # 81 total E -6.28369E+01 rmsd from N 0.000 %NC 0.00 1 91.717 59.254 137.925 -98.948 123.595 178.755 134.411 -7.288 120.517 177.181 104.041 -56.935 134.362 159.224 118.224-111.113 92.060 34.456 126.674 -75.731 122.872 178.930 135.920 -62.501 126.386 173.645 166.397 121.418 118.452 -61.679 157.397-130.908 131.777 -59.989 162.348 116.686 93.441 49.990 112.498 -27.719 93.394 42.267 131.019 -92.957 93.560 64.273 141.671-155.884 92.358 82.137 120.617 73.895 115.137 -57.038 137.992-145.107 91.811 79.586 148.016 126.614 91.675 41.382 116.168 -11.569 92.502 46.722 151.207-123.464 91.739 44.838 163.537-136.721 92.870 42.121 118.285 170.121 92.457 44.703 109.152 -73.143 92.566 45.148 129.506-106.975 92.606 44.323 138.283-109.301 92.096 45.405 113.147-123.252 92.682 50.185 119.728 -62.691 93.529 76.967 137.170-131.154 93.518 156.274 129.841-120.032 95.524 93.365 0.000 0.000 118.385 0.000 133.603-163.647 # 82 total E -5.78737E+01 rmsd from N 0.000 %NC 0.00 1 122.732-137.057 139.496 -67.436 123.914-169.838 132.548 -0.155 133.168 -87.285 156.446 161.756 126.304-147.911 126.629 -83.884 92.226 50.143 129.691 -76.217 130.630 -72.036 128.403 56.975 115.799 119.381 134.136 -75.605 113.672 -77.588 110.853 103.079 95.043 59.600 162.348 116.686 101.156 176.877 123.712 -71.936 145.328-170.108 160.167-121.550 94.637 77.427 137.293-140.913 133.756 -47.698 140.338 155.242 93.624-162.136 138.112-120.538 91.750 57.222 133.992 39.658 91.331 38.897 135.406-132.466 91.919 51.517 131.215 -4.670 90.978 50.473 127.375-132.894 90.609 44.783 90.853 18.306 90.885 43.645 140.387 -14.030 92.335 51.425 176.492-166.064 92.206 43.807 128.609-101.468 92.153 60.623 128.775 165.885 92.928 88.954 129.180 -51.228 131.862 -85.031 158.483 156.883 124.442-174.718 126.455-118.584 136.908 -85.034 0.000 0.000 116.888 0.000 131.278-161.099 # 83 total E -5.82547E+01 rmsd from N 0.000 %NC 0.00 1 91.714 60.204 137.979-102.797 136.068-164.448 128.979 69.210 127.886-131.785 126.601-131.697 126.812-166.684 166.281 -68.105 129.343-155.362 141.027 -51.879 93.096 38.820 115.222 -56.240 127.170-172.613 176.448-174.406 124.479-165.440 56.780 82.533 94.228 112.148 0.000 0.000 95.708 -34.653 153.433-160.618 94.234 -51.197 138.863 -98.107 108.337 175.775 120.471 45.174 122.345-167.382 124.456 144.713 94.313 43.815 142.063 140.516 119.434-166.587 139.726 126.657 134.951-154.099 146.255 15.566 113.286-164.281 85.108 -77.138 123.885-142.317 154.803-165.204 125.243 -91.333 121.704-137.878 91.044 56.646 139.994 -17.978 91.283 46.339 89.955-100.655 92.884 44.529 142.122-111.708 92.383 46.262 131.240 137.923 92.761 51.749 128.845 -77.718 93.702 80.422 135.127-123.179 125.518-101.892 158.818-170.699 127.348-164.259 0.000 0.000 119.935 0.000 132.095 171.856 # 84 total E -5.54159E+01 rmsd from N 0.000 %NC 0.00 1 91.700 71.565 140.216 -66.296 134.814-163.156 149.218 118.042 127.404 -92.320 110.986-136.240 129.958 -91.059 175.741 -65.231 92.481 45.308 146.657-117.118 94.420 75.551 79.292-101.427 127.640 -84.222 145.960 -96.307 111.184 -75.526 83.938 -85.848 154.373 -68.226 136.733 -93.833 133.681-144.349 139.863-108.109 119.284-161.645 154.820 -16.345 123.773-157.568 136.084 136.821 93.600 103.237 128.698 170.007 96.239 -26.907 116.029-129.217 93.984 -62.283 138.180 -89.209 98.231-173.794 108.100 -11.987 131.225-151.058 151.460 -23.050 118.093-160.902 122.885 35.408 140.620-127.906 149.236 101.440 112.125 -45.250 89.919 -82.510 137.435-162.240 157.643 141.535 124.688-148.391 169.708-170.955 92.433 67.461 144.727-155.542 94.237 104.392 103.715 -70.712 146.083 -76.380 145.846 -87.352 128.995-171.635 106.548 -72.995 135.833 -81.222 0.000 0.000 116.697 0.000 127.005-146.830 # 85 total E -6.73391E+01 rmsd from N 0.000 %NC 0.00 1 91.718 57.416 137.243-104.888 121.537-174.419 127.109 -44.514 129.243-150.447 111.049 -64.828 129.007-138.413 134.764-133.310 131.459-166.118 153.086 -67.881 127.242-135.253 154.976 67.725 127.979-162.537 142.550 58.638 127.425-136.162 167.708-142.801 95.109 91.562 0.000 0.000 123.788 -94.628 133.202 26.473 142.102-168.291 131.990 -77.175 126.738-124.948 151.774-106.312 124.612-171.477 137.291 140.411 110.950 -63.825 120.947-154.515 92.773 -22.572 127.101 -36.313 94.201 94.699 132.763-130.234 127.511-126.416 143.518 -8.735 125.608-167.087 167.669 -2.672 130.532-121.585 115.808 1.397 116.749 -89.903 141.611 -12.774 129.102-156.030 169.425-171.497 130.438-165.506 161.120 -83.003 121.959-137.710 138.023-119.477 127.751-164.260 133.698 112.489 129.670-146.802 159.830 152.222 118.842-175.832 128.613-126.149 95.590 106.236 0.000 0.000 119.075 0.000 123.835-155.173 # 86 total E -6.47812E+01 rmsd from N 0.000 %NC 0.00 1 91.721 59.912 140.222-108.935 129.470-160.427 150.659-113.149 129.566-154.521 144.631 -12.696 96.078 37.886 135.212-112.228 122.740-166.352 140.011 -56.259 130.348-168.171 119.563 72.209 116.715 86.181 123.811-116.700 93.512 -4.234 124.172 -96.873 101.600 -76.189 0.000 0.000 105.463-176.078 111.229 49.479 131.987-162.763 124.039-110.819 95.909 39.832 107.745 -79.631 120.159-162.486 116.975 50.551 134.225-160.095 117.259 172.836 126.532-149.486 140.216-160.313 93.983 45.829 140.756 41.090 128.292-171.512 132.407 55.315 115.687 -67.481 153.604 -35.904 93.562 -23.654 80.049 -79.640 92.962 93.651 103.269 -82.594 128.834-120.981 169.245 173.787 118.164 34.692 166.093 -94.773 121.479-168.507 143.221-167.062 130.571-153.629 143.363 9.001 135.005-158.369 137.598 -86.141 124.956 -65.953 156.140-113.589 142.549 -98.667 0.000 0.000 117.761 0.000 124.907 170.323 # 87 total E -6.44065E+01 rmsd from N 0.000 %NC 0.00 1 91.719 60.220 138.520-100.904 129.404-164.611 132.110 2.834 125.994-137.048 127.444-132.588 133.696-165.403 132.115 -71.209 129.903-137.702 142.571 -81.722 121.323-167.242 141.200 88.897 129.266-127.860 162.052 121.167 113.440 141.655 130.987-126.120 147.716 -26.102 0.000 0.000 134.779 -17.356 127.860-142.959 131.414-157.680 142.852 -65.629 126.804-169.563 167.915 129.684 93.787 100.664 127.190 154.292 99.175 -22.981 132.773-117.409 93.806 -64.037 115.184 -46.784 101.722-175.529 78.132 -52.390 118.764-172.183 150.029 36.577 92.925 53.415 102.897 146.124 116.859-172.295 88.986 -43.131 137.524-100.943 110.257 -83.593 125.103-169.691 176.446 159.005 122.872-133.493 166.028-148.442 124.872-168.148 159.499-141.616 130.443-138.048 161.199 9.861 126.704-166.502 106.705 -75.976 123.039-175.593 127.712-127.526 136.040 -87.277 0.000 0.000 116.842 0.000 137.425-168.062 # 88 total E -5.82961E+01 rmsd from N 0.000 %NC 0.00 1 91.725 116.516 122.499 -25.349 143.841-115.142 141.636 2.686 124.529-145.365 158.836 177.381 112.582 107.128 176.451 -73.050 91.366 -31.820 129.429 -77.514 93.270 -55.334 110.884 62.449 101.925-179.946 143.773 -89.357 133.084 -79.783 136.405 -77.311 134.317 -17.163 0.000 0.000 125.375-103.434 89.772 -72.896 149.102 138.015 176.445 -92.351 127.007 -96.875 114.718-103.422 94.504 65.390 125.892-165.375 96.237 98.131 114.546 -81.686 120.569 -83.234 142.750 122.358 94.040 -27.830 90.288 -26.099 110.626-155.596 135.680 82.123 125.478-119.453 143.963-147.263 91.055 60.160 127.943-168.829 90.888 41.427 91.040 -86.874 92.322 50.419 134.371 -93.364 91.682 43.888 121.654-127.410 91.516 48.769 110.024-120.968 92.116 53.124 120.508 -61.038 93.112 77.347 135.298-120.471 93.412 154.608 128.978-119.110 95.517 92.542 0.000 0.000 118.337 0.000 134.156-164.382 # 89 total E -5.75329E+01 rmsd from N 0.000 %NC 0.00 1 91.665 63.380 150.566 26.723 114.353-179.583 133.131 129.702 143.177-160.372 136.612 147.646 125.012-155.720 164.241-107.607 129.323-155.695 172.267 -85.581 93.299 70.824 114.786 -60.665 125.799 162.359 111.285 -95.796 112.003 -65.359 155.108-123.037 93.088 56.412 0.000 0.000 100.931-124.914 114.899 21.222 94.485 59.016 141.608 -75.346 96.170 100.709 135.494-124.709 124.920-115.721 135.294-162.538 122.322-162.019 153.601-161.408 128.857-156.664 167.507 -78.409 127.574-177.385 139.428 100.216 90.519 80.853 118.447-120.704 91.548 55.566 122.186-130.838 92.637 41.185 116.690 161.218 93.221 42.095 107.431 -88.579 93.276 46.084 121.482-113.184 92.266 44.816 138.046-124.295 91.644 46.086 115.219-121.344 92.548 52.729 118.876 -62.035 93.153 77.321 133.660-121.219 93.431 155.270 128.917-121.338 95.514 92.558 0.000 0.000 118.321 0.000 134.095-164.413 # 90 total E -5.94222E+01 rmsd from N 0.000 %NC 0.00 1 91.714 58.368 138.105-104.514 124.110-174.361 127.338 -40.378 130.553-151.352 116.658 -75.177 130.219-134.285 133.901-136.994 134.026-168.917 133.133 -65.675 121.597 12.994 134.130 59.519 119.375-114.617 148.187 89.203 123.717 55.191 132.207 125.733 123.242 179.277 138.566-121.812 138.965-163.643 122.560 64.812 95.223 41.030 109.184 -88.101 123.579-178.640 110.259 -80.436 130.172 -71.830 152.263 8.174 92.549 -21.459 129.400-124.876 93.375 98.578 136.117 -88.747 127.294-143.161 110.094 24.876 93.357 50.028 125.269 10.974 123.332-164.371 145.291 -20.092 143.362-158.436 152.182 -66.791 93.018 55.810 98.544 -88.791 130.263-176.583 120.534 -94.533 96.506 38.411 134.695-108.467 118.044-149.902 136.688-135.122 129.061-161.782 152.026 -3.420 131.689-137.938 151.125-170.479 122.068 -64.924 140.958-123.245 131.874-137.212 0.000 0.000 119.175 0.000 130.657 177.443 # 91 total E -6.87974E+01 rmsd from N 0.000 %NC 0.00 1 91.780 127.246 132.865 41.287 128.895-157.166 126.838 -28.261 137.673-143.504 142.309-154.823 125.692-169.032 166.237 -31.067 135.810-154.996 152.944 -49.726 92.848 23.599 119.935 -54.641 124.862 178.866 170.292-133.713 121.516-103.148 120.689 96.187 94.699 20.804 144.361-121.913 94.065 58.380 85.627 -79.229 142.884-150.339 125.523-100.857 96.550 35.705 152.340 166.897 109.737-161.132 113.221 -3.613 136.891-160.255 129.384 -4.865 116.033-151.694 145.037-151.757 127.788-166.298 148.793 6.646 104.977 -64.098 155.518 160.945 92.203 -21.609 127.508-133.688 95.219 99.900 101.950 12.800 113.286-144.132 143.411 -8.421 134.223-167.165 142.851 -79.390 122.668-139.869 158.787-147.396 140.523-173.146 123.644 -92.314 117.180 7.082 131.125 34.601 125.541-116.998 129.270 -85.092 130.527 -70.213 118.867-121.228 137.188-107.551 0.000 0.000 117.902 0.000 132.026 162.025 # 92 total E -5.61151E+01 rmsd from N 0.000 %NC 0.00 1 91.705 2.143 108.011-127.103 92.382 167.402 115.086 -11.489 130.717 103.895 152.212 156.136 123.032 -99.759 164.909 -34.695 91.663 78.924 128.745 -75.801 92.773 109.839 80.014 -93.985 128.074 -93.701 132.126-100.498 128.041 -67.372 118.326-110.859 131.850 -13.704 0.000 0.000 127.533-153.145 122.468 -44.448 127.613-157.366 157.022 76.054 126.358-168.902 161.423 25.256 121.675 -62.698 118.164 133.507 92.517 -23.789 142.435-135.394 94.311 96.023 130.326 76.755 126.747-136.266 36.311 74.105 133.682-156.637 147.144 19.769 123.768-156.937 148.719-171.637 106.183 -27.708 131.649 155.693 91.307 -83.111 112.711 -81.174 92.156 66.244 176.496-164.865 95.512 63.270 127.764-102.695 117.676-158.106 142.798 -87.140 132.485-160.322 160.628 140.985 130.442-167.747 142.954 -25.345 121.111 -70.025 120.980-129.647 135.765 -92.412 0.000 0.000 116.913 0.000 142.955-170.182 # 93 total E -6.77926E+01 rmsd from N 0.000 %NC 0.00 1 91.712 57.383 137.237-104.826 121.613-174.563 126.135 -42.131 128.911-151.653 110.102 -67.598 130.435-136.053 134.800-134.120 129.476-165.485 151.422 -68.337 128.096-131.819 133.673 61.525 121.146-179.033 146.808 84.201 135.637 -79.433 146.515 -87.808 128.322 -11.695 136.387 -93.378 132.992-148.036 115.417 -74.078 128.106-151.110 163.398 -35.404 123.850-173.204 149.399-144.613 121.580 -63.948 132.028 133.673 92.849 -22.658 142.428-137.185 94.311 96.053 138.459 -87.506 127.952-137.746 106.850 24.353 123.849-161.371 139.949 33.040 122.516-138.652 131.891 176.177 112.355 31.149 124.027 140.249 125.419-162.025 95.349 -82.534 128.983-111.836 144.294-115.640 136.643-173.182 160.343 46.506 122.842-136.472 138.469-113.830 125.741-163.027 131.912 106.235 129.828-146.513 154.092 171.797 119.280-176.091 133.177-123.156 95.562 106.180 0.000 0.000 119.085 0.000 123.532-155.632 # 94 total E -5.80152E+01 rmsd from N 0.000 %NC 0.00 1 91.758 125.239 135.583 54.608 120.685-165.252 126.713 20.686 136.114 -76.766 156.145 153.811 123.690-147.037 114.311-121.775 135.232-161.765 148.704 -83.577 125.294-156.039 163.598 -67.598 95.521 65.676 131.909 60.592 122.813 110.563 158.699-155.850 132.917 -44.182 143.157 -74.799 135.071 -27.533 140.565 -24.651 128.257-155.810 137.052 -87.651 133.967-139.207 159.578 8.480 121.230-171.166 128.228 158.026 111.995 -63.852 120.682-155.043 92.615 -22.635 132.890 -88.996 94.071 94.901 106.919 -20.056 127.095-129.269 139.698 36.005 126.707-159.148 150.438 8.226 117.981-150.042 140.262 -28.812 94.584 59.002 127.599 178.164 121.049-179.312 153.849 -36.592 134.760 -89.964 128.724 -84.753 119.777-157.425 131.205-132.968 130.440-153.292 128.638 103.050 129.704-157.486 141.222 31.518 123.809-169.305 132.945-118.911 134.599 -92.994 0.000 0.000 117.465 0.000 126.527 162.625 # 95 total E -5.88802E+01 rmsd from N 0.000 %NC 0.00 1 91.820 145.442 113.198 89.563 127.548-169.253 128.668 -25.118 125.037-167.954 124.309 135.380 122.792 174.283 121.982-124.758 92.105 63.758 129.314 -76.005 95.309 63.028 80.573 -94.618 101.477 -68.348 145.899 -90.646 93.320 -51.224 108.231-112.237 95.263-176.616 0.000 0.000 133.482-160.979 141.798 16.343 129.836-162.178 123.802-109.600 93.867 95.868 141.906 155.057 122.314 19.806 80.973 -71.957 95.262 -50.002 140.070-127.282 106.147 -29.808 147.612 -36.795 109.303-162.768 101.372 -60.829 131.095-154.209 132.273 146.160 123.447 -94.446 156.370 154.491 91.619 61.811 119.052 160.102 90.104 51.136 97.446 -94.125 91.712 48.577 123.362-114.392 91.822 44.814 143.849-103.912 92.005 44.820 112.410-125.280 93.049 55.450 116.819 -63.019 93.540 83.463 138.670-125.883 121.472-102.770 140.049-124.539 135.967 -88.651 0.000 0.000 117.075 0.000 132.206-172.153 # 96 total E -5.73147E+01 rmsd from N 0.000 %NC 0.00 1 91.711 57.779 137.000-104.579 121.454-161.528 106.385 -52.946 94.366 45.890 98.641 -72.103 125.115-174.303 136.822 -94.853 125.835 171.522 112.250 29.875 93.372 85.415 105.630 -69.510 94.998 0.459 137.115 -87.449 102.189 -83.838 133.496-124.623 94.108 168.024 0.000 0.000 134.483-168.662 143.735-111.904 94.444 32.577 141.981 -75.109 119.268-153.887 148.677 165.937 134.273-168.211 123.414 11.906 124.439-153.866 147.845-151.341 126.541-174.307 160.053 33.742 113.051 -63.040 165.984 162.077 92.277 -25.401 109.469 -62.584 92.922 104.552 106.043 43.103 115.011-145.451 130.999-160.811 129.984-165.741 104.267 -78.592 128.284-148.095 170.166 154.038 138.422-161.982 126.051 -83.740 126.822-143.511 147.675-155.763 106.563 -43.333 133.576 -43.147 121.024-177.801 110.411 -80.142 125.307-175.711 156.216-154.514 135.808 -88.246 0.000 0.000 117.023 0.000 130.770-177.092 # 97 total E -7.04330E+01 rmsd from N 0.000 %NC 0.00 1 91.718 62.285 139.122 -97.112 136.566-157.458 132.414 -21.741 132.773-140.614 133.922-137.607 128.310-158.249 142.228 -79.932 130.595-170.683 154.338-100.920 92.540 95.442 76.346-101.372 94.196 -18.426 109.516 -88.023 101.666 -71.533 116.673-110.472 94.083 171.600 162.348 116.686 137.949-151.576 156.953 -21.124 122.103-151.789 156.010 -34.125 125.518-164.940 150.695 153.771 114.195 -65.478 137.501 130.856 92.816 -20.154 139.829-159.317 95.087 93.411 123.878-172.549 124.570-136.125 139.289 22.081 132.746-159.500 150.134-173.244 122.346-153.282 113.720 178.855 106.290 -44.119 111.388 -35.780 91.399 -74.871 112.183 -70.475 92.859 73.901 141.972 98.624 95.341 55.243 129.641 -86.853 128.590-153.006 146.201 142.463 124.666-159.761 147.388 104.558 138.376-154.735 149.019-158.068 122.216 -67.059 126.717-111.674 136.893 -93.782 0.000 0.000 117.176 0.000 136.594-177.869 # 98 total E -6.64412E+01 rmsd from N 0.000 %NC 0.00 1 91.720 57.986 137.978-106.098 123.250-169.916 136.605 63.837 130.124 -80.597 145.251 -14.987 126.348-140.218 141.244 -92.830 117.371 60.579 145.283 -79.420 133.133 -66.431 159.354 -2.946 119.197 107.179 114.601 -82.044 122.241 -90.001 141.911 122.067 96.287 42.812 162.348 116.686 93.949 90.284 100.920 124.270 133.965 -87.506 135.308-119.679 92.834 51.602 146.310-160.765 92.391 36.688 125.640 -27.469 93.992 47.460 119.459-148.092 91.533 42.555 157.103 119.640 92.572 40.776 133.542-103.219 91.944 48.216 118.325 -75.871 91.358 48.310 130.957-121.560 91.949 43.439 120.754 164.903 92.587 41.831 105.307 -82.516 93.035 45.667 125.049-101.361 92.423 44.665 136.014-118.648 91.759 47.216 115.153-122.361 92.332 51.258 120.376 -63.375 93.496 76.447 134.431-125.013 93.720 151.350 129.148-120.869 136.747 -84.954 0.000 0.000 116.898 0.000 131.001-161.878 # 99 total E -6.12556E+01 rmsd from N 0.000 %NC 0.00 1 91.675 38.184 114.283-134.304 92.459-176.112 105.542-128.235 96.227 53.058 143.683 -2.457 123.192-170.957 142.754 -71.403 138.582-147.334 135.885-128.248 126.946-167.961 93.885-110.239 127.504-152.396 146.812 78.491 110.843 168.784 117.913-110.676 129.244 -31.887 121.664 -29.084 95.823 -46.030 108.395-135.725 94.117 93.764 159.876 -42.194 127.363-118.268 110.099 -83.428 121.768-158.489 119.515 -18.545 126.744-143.133 145.239-154.488 125.562-163.634 127.995 40.592 126.896-149.666 149.819 141.024 93.612 44.109 121.107 -27.669 124.318-157.910 120.323 41.982 91.172 78.727 134.346-134.067 89.619 57.167 107.396 -67.161 91.450 48.308 105.455 -92.605 92.099 44.822 137.096-132.917 91.798 46.109 128.439-137.699 92.530 54.050 120.777 -49.942 93.034 75.335 134.354-111.640 93.458 154.655 131.903-121.175 95.490 93.609 0.000 0.000 118.414 0.000 133.364-163.454 # 100 total E -5.90958E+01 rmsd from N 0.000 %NC 0.00 1 122.540-138.582 139.539 -78.901 136.922 -62.065 141.169 -28.136 127.608-163.554 105.309 -73.498 136.628-177.379 145.626 -92.698 91.533 58.023 130.235 -76.814 126.829 -75.613 126.753 61.764 117.681 109.635 144.975 -89.365 122.949-102.922 120.508 114.629 95.865 146.196 130.691-108.406 121.065 -83.385 141.599 -47.430 94.413 19.135 139.882 -72.659 110.348 176.109 126.609 -50.364 121.929-150.709 149.910 -52.485 94.020 67.070 135.174-157.682 116.853 -31.847 166.084 124.958 92.288 70.366 108.173-144.915 92.000 41.905 141.182 -39.983 91.658 49.326 163.398-149.801 91.736 42.422 116.731 163.691 92.800 43.854 106.692 -78.709 92.778 44.393 133.310 -90.614 92.480 45.916 141.836-113.432 91.619 47.335 115.752-124.280 92.512 55.270 118.121 -65.345 93.584 83.022 137.478-126.639 121.547-102.792 139.899-125.668 136.492 -88.438 0.000 0.000 117.054 0.000 132.161-171.741