jlee = 1 nbank = 100 nstep = 40300 31361348 0 1505.97360 nglob_csa = 85 eglob_csa = -1.03364E+02 # 1 total E -1.00843E+02 rmsd from N 0.000 %NC 0.00 0 92.062 -12.625 123.938 -66.976 131.683-118.403 140.271 -37.350 92.225 52.775 144.328-152.915 90.264 58.285 129.664 -75.763 89.354 50.763 140.036-136.233 88.542 52.978 123.673-104.644 88.062 52.385 107.297 -61.644 88.497 51.545 130.167 -78.286 89.546 62.105 156.437-122.587 91.470 67.602 113.188-132.822 95.547-165.391 142.858 -87.112 92.885 77.768 130.085-154.320 91.237 55.622 102.665 -81.890 90.768 77.672 147.688 -82.865 90.666 83.145 126.358-153.913 92.728 60.853 110.432-116.473 101.435 156.668 113.055 -62.227 137.667 167.520 153.960 127.947 104.413 -13.825 71.374-119.588 95.328 -61.746 93.466 -80.825 106.126 -95.270 0.000 0.000 92.324 64.863 114.137 -82.730 94.248 49.752 167.322-159.661 90.017 46.713 138.652-132.693 89.592 66.714 110.702 -78.526 90.833 76.300 144.163-154.256 92.102 82.575 131.246-128.422 94.917 -75.221 106.941 -87.456 109.054 -93.776 154.204-137.481 121.230 118.117 132.010-144.356 91.013 45.960 114.191 -76.294 90.655 51.647 111.673 -38.262 88.558 50.712 114.461 -67.231 88.704 45.075 128.159 -75.373 86.656 45.189 104.545 -81.666 88.209 48.989 145.529 -94.177 87.562 46.410 144.100-133.370 88.437 44.056 128.497 -75.200 87.780 49.435 119.363 -47.296 88.984 48.104 127.823 -75.657 88.920 46.162 129.461-103.236 89.509 51.783 106.152 -65.514 90.286 62.858 142.567-104.657 91.076 67.776 128.377-156.794 94.553 64.535 100.125 -82.419 91.927 0.000 129.120 -76.297 # 2 total E -9.15560E+01 rmsd from N 0.000 %NC 0.00 1 92.074 -12.360 125.648 -73.961 128.313-122.113 139.472 -29.867 93.644 46.659 140.109-159.171 90.534 51.220 128.836 -75.194 89.702 53.518 140.092-102.055 89.604 44.343 116.224-138.323 88.618 47.340 104.005-133.280 89.052 60.568 137.127 -65.513 88.650 65.804 138.903-130.442 89.185 72.292 116.706-135.181 94.313-167.280 138.905-102.549 95.232 17.193 130.802-153.630 124.850-156.392 108.437 -82.041 116.668-108.114 150.928-120.482 98.722 8.498 139.482-150.401 96.182 99.673 138.111 -69.706 131.181 107.908 141.285 28.032 110.058 122.710 130.483 130.597 112.654 -6.481 113.386-145.976 94.878 -64.336 143.836 -23.864 104.701 -59.836 0.000 0.000 91.689 106.639 124.547-118.394 91.095 62.404 129.729 -90.190 91.190 60.155 109.627-114.780 88.851 62.937 116.998 -80.113 90.946 89.676 150.935 -45.151 92.583 69.736 134.943-125.501 93.659 27.379 110.260 -89.998 117.869 81.766 107.380 -77.791 139.958 171.865 115.841-102.269 94.419 28.532 115.347 -77.106 91.500 59.047 108.734 -6.135 88.801 55.959 133.203 22.990 89.397 47.373 129.004 -76.193 86.111 47.534 109.523 -82.356 89.024 52.832 144.705 -26.104 88.133 46.526 143.124 -98.183 89.631 41.481 128.304 -75.248 89.440 47.868 112.621 -38.342 89.553 49.155 128.594 -77.237 88.790 49.109 128.230-104.015 88.818 55.060 105.781 -66.528 89.893 65.562 141.299-104.736 91.102 71.457 133.028-147.791 94.708 63.792 100.480 -83.500 91.929 0.000 129.214 -76.282 # 3 total E -8.69654E+01 rmsd from N 0.000 %NC 0.00 1 92.263 -46.594 125.958 -85.114 122.374-134.302 139.070 -36.844 94.072 44.328 141.807-152.739 91.054 52.478 130.972 -78.488 88.002 60.113 127.582 -46.063 86.653 51.511 122.585-135.369 87.215 51.534 113.209 -80.247 87.524 58.508 137.215 -70.184 89.111 70.535 141.848-115.093 90.117 96.814 113.901-143.331 105.666-134.301 142.296-101.587 93.577 73.842 129.678-151.915 90.222 65.676 102.979 -78.488 91.623 89.908 148.688-127.974 91.123 65.735 131.911-147.560 93.621 104.455 118.163-113.653 146.246 177.910 136.790 -77.233 92.585 -7.779 137.087-100.628 113.726-141.366 97.449 79.289 128.022-130.784 149.740 -9.298 96.776 46.561 0.000 0.000 91.824 50.025 116.016 -77.375 90.304 52.217 132.819-104.596 89.854 46.465 120.861-129.313 88.642 52.581 112.877 -74.794 90.602 56.936 148.893 -24.688 92.208 62.447 134.278-111.278 95.212 9.131 140.989-129.231 123.797-168.025 106.498 -77.413 93.151 78.779 137.841-166.230 89.971 57.850 114.787 -76.051 91.235 85.780 105.711 -7.736 93.670 105.263 118.269 -83.425 92.221 5.194 129.231 -75.828 101.888-128.017 142.081-143.587 141.432 -95.726 176.426-166.128 116.898-176.521 139.609-114.232 133.818-167.744 147.311 -64.301 93.253 22.336 123.208 -83.834 109.285 159.491 149.961 -86.031 93.311 68.499 117.340 88.249 90.632 102.356 106.160 -51.766 91.609 71.118 128.979 -87.811 92.981 92.207 142.495-152.393 95.172 59.308 102.471 -87.732 91.918 0.000 129.321 -76.183 # 4 total E -8.93351E+01 rmsd from N 0.000 %NC 0.00 1 92.246 -48.304 118.719 -62.433 127.314-122.352 134.155 -17.510 94.174 46.270 141.483-156.059 90.983 50.851 130.179 -76.262 89.176 52.699 135.336-115.937 88.514 46.607 117.800-130.611 88.522 48.003 109.208 -68.523 89.155 50.591 145.813 -78.115 89.405 64.095 136.385 -96.896 89.785 68.667 121.709-136.681 93.075 158.725 140.870 -55.570 92.870 79.850 129.750-156.044 90.820 65.865 100.309 -83.992 91.373 78.768 138.060 -41.076 92.343 79.595 128.808-138.143 94.390 14.720 105.522-117.482 112.752-170.924 153.438 -68.768 137.750-174.054 153.636 92.555 106.950 -9.579 90.249 -53.491 97.951 -87.737 153.205-149.198 111.604 -20.777 0.000 0.000 96.457 99.697 176.459 177.246 92.991 66.249 132.885 -81.782 93.105 63.022 130.754 -69.434 97.844 165.101 113.144 -79.115 126.580 177.954 160.776 176.760 94.966 2.899 119.303-135.035 106.762-105.864 107.069 -84.428 124.294-179.854 162.830-155.924 96.159 113.755 91.254 -93.874 144.215-151.288 175.281 -66.005 127.794-137.711 127.380-150.946 124.012 94.944 145.960 6.606 90.830 -10.972 127.932 -75.561 93.130 -76.275 105.277 -82.124 104.764-169.834 150.755 -20.550 125.950-153.690 150.477-143.109 153.465-154.444 128.535 -33.276 89.160 67.186 123.217 -49.900 90.938 90.348 128.469 -75.728 88.074 62.778 99.755 106.005 89.424 96.920 125.735 -70.660 91.047 74.855 136.756 -87.565 91.520 68.245 139.660-150.378 94.384 66.341 99.478 -84.933 91.982 0.000 129.174 -76.886 # 5 total E -9.63243E+01 rmsd from N 0.000 %NC 0.00 1 123.215-110.489 146.866 -24.790 124.464-179.337 134.825 -38.472 95.293 81.000 137.933 18.148 91.348 49.246 132.353 -79.312 89.128 57.593 124.596 -38.724 87.515 49.664 132.592-152.282 87.662 50.495 101.217 -68.409 88.234 57.408 136.400 -73.536 89.630 69.708 155.775-109.573 89.612 87.200 114.492-138.700 132.827-161.106 159.988-132.804 92.706 72.655 135.006-160.717 88.897 60.677 105.632 -81.204 90.725 76.902 119.708 -79.950 92.001 88.733 136.736-162.110 92.663 47.804 110.496-113.431 107.580 171.493 150.804 -16.344 133.671-150.491 148.600 26.357 116.949 -84.650 138.954 -83.523 94.668 -0.763 109.007 -81.640 98.470 71.852 0.000 0.000 143.196-141.650 158.648 107.890 127.549-106.239 141.677 -75.783 91.721 56.967 101.737 -85.255 91.497 68.923 115.537 -74.002 92.139 83.095 153.593-157.669 92.411 44.643 122.522-149.571 95.091-178.702 105.975 -83.542 131.579-171.365 152.334 -21.092 121.969 5.578 117.663-121.612 118.508 -13.815 112.944 -83.427 116.452-142.643 142.134 -6.737 91.888 49.012 119.049 41.875 90.130 51.092 128.820 -75.901 87.326 46.327 109.003 -77.703 88.331 48.228 144.839-138.734 87.930 48.553 147.001 -34.179 88.476 45.905 128.018 -75.223 87.637 48.734 126.335 -62.399 88.783 50.236 128.131 -76.317 87.141 50.478 129.217 -98.664 87.679 58.463 103.661 -59.914 89.066 64.056 138.937 -50.100 90.431 70.418 136.886-158.214 94.294 68.000 98.528 -84.288 91.927 0.000 128.756 -76.212 # 6 total E -8.33031E+01 rmsd from N 0.000 %NC 0.00 1 120.888 -88.257 155.829 -73.554 127.662-127.800 136.250 -41.758 95.369 44.053 141.677-157.046 90.906 50.919 131.528 -77.889 89.019 55.442 130.723 -49.405 88.304 50.980 120.755-131.458 87.878 48.658 102.168 -67.170 88.155 57.530 136.819 -88.415 88.630 70.465 145.400-122.171 89.139 98.625 116.224-144.708 92.055-167.773 128.243 -73.683 95.341 73.913 128.561-150.365 93.523 34.643 101.800 -83.191 94.061 106.750 147.045 -18.066 92.276 71.448 136.484 176.767 91.284 66.257 97.933-115.203 95.185 105.990 131.364 -30.903 134.904-172.279 159.428-173.500 110.651 -7.774 85.400-135.612 94.736 -66.367 147.664 -28.257 101.039 -44.484 0.000 0.000 94.268 104.551 152.765 106.213 96.772 30.129 141.908 -93.621 103.983 169.541 129.878-133.504 152.536 38.629 131.817 -89.674 131.421 169.568 173.703 -3.212 130.780 -12.357 138.690-156.018 127.443 -13.642 156.462 -16.799 131.616-173.529 150.302 -15.721 116.957 172.400 132.738-146.260 113.320 -4.620 118.825 -78.862 93.500-179.721 135.003-107.844 144.601 -89.286 164.578 -75.249 134.933-102.778 131.641 -49.288 89.021 59.560 101.499 -81.161 89.591 55.653 140.670-109.566 88.959 46.368 152.860-147.006 89.000 45.242 128.297 -74.796 87.521 51.250 101.264 -43.566 89.020 49.268 127.586 -75.595 87.796 47.903 126.594-114.145 88.670 53.569 101.734 -64.867 89.811 65.582 139.419 -84.621 91.446 68.566 130.441-151.683 94.516 64.601 141.224-119.126 91.934 0.000 129.175 -76.322 # 7 total E -1.00935E+02 rmsd from N 0.000 %NC 0.00 1 92.183 -39.578 112.870 -51.764 127.953-118.545 155.282 176.569 95.521 41.828 103.768 -81.416 90.967 53.088 129.424 -76.121 88.800 49.176 126.137-137.805 90.081 44.535 117.968-128.378 89.473 47.420 119.710 -83.583 87.823 54.430 137.330 -95.320 89.505 69.631 139.366-124.551 90.236 87.887 119.318-137.999 92.848-162.112 131.760 -94.053 94.160 68.756 129.268-151.815 92.203 44.817 98.372 -83.535 93.092 98.107 160.054-157.237 92.687 75.873 131.300-173.557 92.532 63.745 106.492-120.369 128.757 169.275 134.621 -55.769 115.528 123.442 129.561 99.973 109.764 -8.292 75.187 -80.090 95.419 -64.846 104.315 -79.258 101.294 -68.362 0.000 0.000 91.838 119.690 129.177-100.395 94.677 50.795 138.568-109.516 91.879 54.916 146.397-137.266 90.755 63.232 112.401 -76.861 91.706 75.875 144.926-157.787 93.176 63.474 136.928-126.710 95.014 7.628 141.613-127.649 126.208 89.600 149.340 -19.044 139.365 175.501 113.126-100.729 94.921 31.653 115.455 -77.168 91.330 55.556 109.350 -3.404 87.767 57.992 133.069 11.087 89.387 47.095 129.222 -76.388 87.027 45.679 145.752 -24.048 89.413 49.901 142.091 -38.905 88.084 49.545 137.159 -82.980 88.466 41.946 127.904 -75.106 87.884 49.974 109.833 -40.748 89.415 50.298 129.745 -78.695 87.570 52.402 127.420-109.937 87.470 62.142 103.163 -62.468 89.176 72.617 143.918 -96.703 90.769 71.215 138.476-126.304 94.681 67.142 100.295 -84.089 91.931 0.000 129.051 -76.270 # 8 total E -9.02132E+01 rmsd from N 0.000 %NC 0.00 1 122.306-100.489 149.268 -29.605 134.231-116.839 130.541 -18.670 95.014 46.589 110.107 -80.665 91.329 49.042 128.354 -74.224 91.162 45.040 126.620-104.882 93.153 41.201 114.954-121.140 90.926 45.297 108.324 -66.367 89.606 56.651 136.924-104.290 89.817 67.769 144.476-127.411 93.067 101.136 119.816-139.327 116.479-132.738 156.296-122.479 92.980 70.169 102.797-106.407 90.462 63.105 104.109 -88.258 92.158 86.529 139.510-122.435 94.647 104.153 132.805-150.564 125.144-103.228 136.894-136.187 94.143 72.872 137.295 -86.042 93.396 76.184 135.667 -90.296 133.658 171.359 160.139 74.996 113.727 -59.893 150.382-150.144 122.735 -85.761 0.000 0.000 131.467-101.319 161.052 149.908 133.969-115.373 147.644 -90.234 92.360 78.484 127.599-145.866 91.847 74.392 112.159 -79.324 91.880 99.879 144.466-107.424 93.893 51.340 132.950-144.619 95.168 162.794 109.839 -84.263 131.079-173.233 163.446 -14.331 131.848 5.848 119.449-119.214 143.395 -2.205 124.527 -83.992 126.590-115.523 127.056 -60.856 94.252 44.459 120.493 25.806 90.110 47.843 129.033 -76.214 87.103 48.146 141.275 -40.910 88.472 48.011 136.405-137.346 88.023 47.359 144.975 -33.433 88.244 44.905 127.744 -75.013 87.287 50.699 100.222 -44.091 89.013 50.001 126.759 -75.899 88.420 45.497 131.515-100.226 89.166 52.992 105.344 -69.268 90.318 70.737 144.901-114.811 89.646 65.051 130.191-164.510 93.017 77.495 97.359 -82.642 91.942 0.000 127.806 -76.320 # 9 total E -9.18114E+01 rmsd from N 0.000 %NC 0.00 1 92.037 10.867 132.506 -88.700 138.056-117.456 140.449 -29.791 92.780 61.897 145.699-149.401 90.531 67.669 129.126 -75.148 89.525 65.209 144.863-128.727 87.023 64.163 126.098-115.423 89.022 62.850 114.274 -88.437 91.290 110.503 129.910 64.323 90.550 90.887 146.572-125.194 94.242 115.652 120.865 -38.694 128.150-112.318 176.432-151.634 112.358 12.213 124.867-138.114 96.308 159.708 105.324 -82.059 119.972 65.860 160.617 -20.163 114.498 166.711 149.177-163.592 128.044-150.744 144.638-140.011 94.717 53.896 137.527 -89.020 93.980 102.403 137.270 -96.921 138.371-110.692 144.313 -55.822 104.286 -65.173 142.867 -26.162 102.361 -63.627 0.000 0.000 90.822 112.342 123.443 -79.836 92.467 53.067 135.529 -99.304 91.181 56.412 105.224-111.223 92.028 66.352 112.328 -75.661 90.982 67.967 144.728-136.547 93.263 50.325 126.711-148.464 94.635 166.371 108.614 -83.086 131.214-171.649 160.531-162.959 93.756 12.738 98.412-119.864 112.364 165.096 111.151 -78.061 140.037-141.313 130.458 46.015 121.410-139.884 121.858 -77.052 92.324 56.490 129.291 -76.049 90.952 50.759 103.456 -81.298 90.492 46.244 149.039 -39.153 89.633 48.392 159.169-141.601 89.469 45.022 128.317 -75.198 88.727 47.876 105.114 -45.649 89.659 47.857 128.080 -77.234 89.257 51.757 126.871-102.052 88.289 62.575 111.043 -76.865 89.667 71.215 141.477-148.199 91.069 71.246 139.319-127.661 94.669 67.229 101.065 -82.938 91.931 0.000 129.017 -76.273 # 10 total E -8.65570E+01 rmsd from N 0.000 %NC 0.00 1 91.960 54.657 124.306 -65.225 146.604 178.475 117.461 -44.849 96.862 -3.820 108.038 -80.727 107.781-169.140 149.767 -92.371 137.466-113.733 155.628 -0.190 118.303-122.777 164.345-170.482 91.388 47.546 117.213-141.282 92.466 64.572 153.674 -6.517 89.229 72.656 144.610-133.818 89.533 58.742 119.597-132.046 92.360 162.743 134.142 -80.293 94.062 65.579 130.529-156.533 110.121-178.027 143.537-148.956 124.317-106.606 170.221-158.806 95.168 34.973 107.709 -86.303 95.503 101.130 128.855 -95.993 143.849 164.146 142.195 -45.836 92.715 -9.560 136.553 -98.821 109.811-126.049 95.663 51.451 129.428-154.833 159.296 -0.513 96.657 50.009 0.000 0.000 92.207 49.714 113.963 -75.205 90.350 51.537 146.040-117.795 90.242 55.489 123.911-121.596 90.061 61.780 111.175 -70.922 90.913 66.168 139.267-110.484 94.003 39.185 138.221-120.016 97.316 160.545 106.125 -84.519 127.938-168.605 159.735 -2.586 121.996 8.428 122.090-129.810 116.336 -1.018 119.253 -79.443 114.462-171.346 141.371 -31.313 92.458 59.002 134.755 24.923 90.873 51.151 128.753 -75.595 89.174 45.743 145.904 -21.374 89.011 50.098 146.944 -34.076 88.306 49.501 142.576 -94.730 89.007 43.287 127.866 -75.094 88.731 47.990 107.997 -40.550 89.758 48.041 128.078 -77.657 88.854 52.457 128.306-109.975 88.007 61.093 106.627 -69.458 89.384 70.005 143.334-123.456 91.426 72.894 139.010-119.188 94.681 65.811 140.499-124.004 91.925 0.000 129.115 -76.207 # 11 total E -9.27405E+01 rmsd from N 0.000 %NC 0.00 1 91.978 102.555 124.939 -60.782 137.763 177.814 124.481 41.827 99.645 -4.719 108.345 -79.962 116.395-125.381 146.244 -96.590 112.750 176.701 163.151 4.883 120.200 -1.837 141.738 171.059 98.542-116.992 108.875 -71.120 92.527 52.706 119.670 -67.401 93.511 94.874 160.581 170.489 93.094 74.717 103.204 -66.052 110.408-143.572 155.230-108.769 92.597 67.119 102.328-104.460 89.471 59.376 102.284 -79.733 90.467 77.962 142.517 -91.599 88.135 56.101 127.117-157.201 88.674 63.621 132.595 -93.417 91.423 102.534 140.736 -92.795 90.680 68.269 136.332-136.583 91.520 87.844 96.402-122.846 145.172-123.330 116.755 -79.837 95.529 66.206 0.000 0.000 94.711 43.379 134.374 -88.712 91.271 47.555 150.304-101.607 90.915 44.435 118.854-114.941 90.442 51.571 114.311 -76.794 90.214 56.717 142.976-129.775 91.891 69.305 134.207-131.533 94.642 110.548 140.724-126.112 121.982-167.269 149.919 -28.687 123.088 7.543 122.159-128.878 121.102 66.272 120.489 -80.182 109.906-173.360 144.039 12.431 93.779 57.451 121.999 41.305 90.933 53.058 128.682 -75.773 89.128 44.716 106.921 -78.026 89.723 51.080 147.401 -20.615 89.187 46.403 153.803 166.231 90.251 41.331 128.915 -75.502 89.578 51.299 127.230 -79.901 89.384 55.779 129.049 -77.333 85.340 56.991 125.409-119.703 85.923 67.560 98.915 -60.545 88.940 70.324 127.171 -70.863 89.312 69.957 139.252-169.752 94.323 65.254 92.813 -80.046 91.955 0.000 129.067 -76.673 # 12 total E -1.01238E+02 rmsd from N 0.000 %NC 0.00 1 92.001 15.226 128.338 -76.638 122.424-150.307 146.664 -8.176 95.046 50.039 141.610-157.207 91.504 48.821 129.131 -75.205 91.650 48.389 149.802-126.226 92.544 42.596 114.556-123.558 90.560 47.278 107.607 -71.254 89.416 57.486 132.610-105.747 89.420 70.698 145.258-122.611 88.853 79.553 116.190-138.301 93.561-157.977 131.910 -95.837 93.750 77.849 130.044-153.479 90.101 54.212 101.182 -88.439 90.782 81.715 121.796 -67.205 91.849 82.633 136.788-157.373 92.703 46.646 107.384-116.083 103.039 140.205 152.623 -85.495 147.024-179.701 140.554 125.463 102.540 -19.219 85.173-101.652 93.583 -65.059 105.123 -72.438 96.939 -71.147 0.000 0.000 91.796 100.546 122.763 -94.309 92.668 66.848 148.870-104.926 89.906 73.339 107.868 -64.455 91.631 84.897 111.991 -78.481 93.126 91.774 137.313-120.260 96.575 -2.755 134.140-137.865 101.117 -87.882 108.977 -83.547 117.569-105.917 154.947 -14.107 133.565-178.904 120.059-116.671 94.693 34.782 115.236 -77.374 91.244 51.312 106.786 -3.217 87.624 56.134 142.545 -3.819 89.261 47.037 129.082 -76.370 87.618 44.856 108.691 -82.034 89.434 48.069 151.716 -25.477 87.650 48.504 137.053 -94.090 88.267 45.377 128.097 -75.207 87.409 48.936 107.686 -35.964 89.255 47.255 126.975 -75.725 88.882 49.024 127.469-115.832 88.230 54.306 102.414 -62.744 89.516 65.333 140.522 -95.131 90.594 69.052 133.104-141.144 94.574 65.112 99.831 -83.410 91.931 0.000 129.116 -76.293 # 13 total E -1.00187E+02 rmsd from N 0.000 %NC 0.00 1 92.173 -36.897 119.269 -66.163 126.986-121.102 137.906 -29.046 93.369 49.201 141.389-156.846 90.759 52.119 128.418 -75.737 89.618 56.775 137.281-115.994 89.766 45.814 116.715-138.622 89.790 47.431 108.332 -76.856 89.330 61.879 135.520 -80.416 90.294 73.525 138.276-124.038 91.190 96.488 118.051-141.853 123.629-122.122 140.558 -98.184 94.031 65.290 97.341 -98.390 91.825 64.976 106.679 -70.481 91.315 77.709 150.474-157.712 91.348 61.211 107.519 -92.345 94.213 103.109 126.827-103.049 147.955 175.552 141.057 -71.336 92.493 -5.142 135.650 -96.515 115.424-141.929 120.534 43.598 127.633-130.910 145.137 -5.504 97.736 45.340 0.000 0.000 93.048 50.646 118.451 -80.572 91.732 55.413 130.419 -97.549 90.738 58.878 121.344-119.199 89.891 69.559 112.751 -79.201 92.162 80.498 159.119-144.508 94.573 63.532 134.206-123.379 121.567 -96.121 155.293-150.470 94.259 178.692 107.389 -78.946 137.965-168.029 121.057-115.364 89.120 65.271 114.814 -76.821 90.530 80.807 102.453 -35.445 89.028 59.370 120.883 -72.456 88.989 47.571 128.370 -75.386 85.926 49.333 105.613 -81.396 87.377 50.414 130.426 -63.787 87.296 47.853 154.472 173.022 88.547 44.500 128.641 -75.150 88.791 48.344 105.938 -43.371 89.355 49.685 131.397 -77.474 88.775 52.858 126.234-108.923 88.554 61.777 107.176 -71.465 89.710 76.560 139.072-123.211 91.571 73.711 136.768-158.961 94.171 79.567 100.634 -83.025 91.890 0.000 128.075 -75.649 # 14 total E -9.92668E+01 rmsd from N 0.000 %NC 0.00 1 92.074 -13.925 123.949 -71.255 123.533-149.742 144.378 -25.187 93.787 48.350 141.093-161.749 90.801 51.622 132.476 -78.609 88.657 54.511 130.569 -46.058 86.779 47.005 119.983-134.080 86.543 53.633 121.464 -87.989 89.649 59.893 154.016 8.094 88.752 68.097 139.949-118.062 93.737 93.689 112.832-138.527 120.085-174.036 153.224 -71.952 93.207 76.014 102.791-106.508 90.338 68.583 112.264 -83.270 89.924 81.797 130.391 -67.762 94.294 99.293 133.015-149.833 94.082 32.339 107.667-114.692 111.526-176.250 145.841 -59.953 145.940 170.490 160.289-156.815 102.730 -15.343 84.049-101.598 96.053 -58.648 103.837 -77.116 102.540-119.822 0.000 0.000 92.565 58.400 127.951-109.197 90.859 51.465 142.442-121.811 90.060 53.001 118.803 -99.080 90.326 73.386 107.881 -75.892 91.261 67.282 149.677-111.166 93.939 65.870 132.702-139.901 119.593 -7.785 154.670-150.038 115.253-133.713 157.120-141.900 94.114 82.639 134.863-161.262 90.126 45.605 114.634 -76.090 90.053 60.963 113.949 -37.544 88.519 53.635 136.245 29.402 88.564 47.464 128.061 -75.359 86.267 48.102 105.940 -81.449 87.780 51.842 152.447-141.119 86.858 49.325 152.204-136.318 87.421 49.552 128.494 -75.231 86.858 55.122 118.380 -44.333 88.394 51.259 126.106 -72.449 88.167 46.788 129.907-100.409 89.537 54.463 106.255 -63.048 90.002 64.072 141.464 -99.497 91.110 69.718 130.431-152.698 94.644 64.207 100.160 -83.259 91.931 0.000 129.176 -76.297 # 15 total E -9.09472E+01 rmsd from N 0.000 %NC 0.00 0 123.815 -99.238 142.166 -1.587 127.300-116.130 159.655 -30.357 95.554 44.426 141.841-156.412 91.095 49.998 130.246 -76.796 89.573 47.949 127.459-139.445 90.837 45.886 118.768-120.916 89.079 47.813 108.971 -63.037 88.558 56.346 134.430 -87.796 89.184 68.539 143.594-131.732 88.585 83.696 114.484-139.606 93.473-150.372 130.000 -91.359 92.812 71.428 129.651-153.388 89.572 57.831 101.979 -81.296 91.103 89.859 141.613 -47.707 90.744 76.638 130.086-168.488 93.143 103.050 105.097-118.811 139.754-178.188 131.099 -76.884 93.018 -3.036 137.446-102.389 114.635-154.978 74.772 97.567 132.558-121.585 153.627 -19.156 96.620 45.045 0.000 0.000 91.642 50.256 110.745 -83.876 89.437 54.925 141.250-114.200 89.800 46.293 125.781-125.787 87.864 48.430 112.409 -73.065 88.523 53.461 155.232-116.241 88.813 51.970 139.443-130.138 90.953 45.157 108.978 -87.941 95.527 83.856 116.301 -80.051 96.400 113.953 129.344-151.693 141.852-153.617 127.651 -83.165 135.980-139.591 139.445-147.942 129.365-169.220 122.542 -79.134 137.839-144.883 161.087 -80.926 135.734-170.310 161.380 172.598 111.842 -89.078 132.342-149.209 92.801 4.364 149.201 -31.931 93.943 75.150 129.438 -75.833 131.019-155.841 145.427-158.421 128.310-163.571 151.262 -83.329 136.281-143.398 156.500 -71.321 125.508-165.414 110.903 -62.564 134.855-152.204 154.353-165.547 147.982-159.959 114.760 -88.734 131.890 -12.089 127.955 -80.248 91.979 0.000 128.515 -76.098 # 16 total E -8.26332E+01 rmsd from N 0.000 %NC 0.00 1 92.034 61.154 137.500-103.054 132.263 162.915 131.364 -47.494 133.411 157.009 143.681 8.055 126.804 162.419 144.721 -88.428 128.201-171.307 119.667 -67.477 110.636 -10.255 137.378-162.092 94.115-105.432 94.694 -86.670 90.551 63.569 128.651 -92.424 92.808 60.537 140.812-124.189 101.874 172.380 120.646 -30.549 119.557-175.045 150.262-175.972 130.235 -0.793 110.098-106.170 96.245 168.264 132.011-126.792 133.819-177.746 151.927 138.079 94.989 25.588 137.773-145.450 114.131-170.410 135.321 -60.123 121.811 -92.013 151.076 -31.643 132.666 -94.026 148.770-125.241 116.326-117.392 110.087-151.245 94.878 64.829 150.008 -8.365 95.139 46.197 0.000 0.000 93.677 53.655 120.157 -74.113 89.760 54.186 137.661-117.545 89.245 54.613 92.980 -61.091 88.991 69.037 109.949 -77.245 91.662 77.725 143.560 -30.532 92.809 47.904 135.559-123.147 95.978 135.571 107.358 -86.162 139.183 161.541 152.281 -24.894 94.843 7.098 98.800-108.515 114.573-163.416 119.364 -79.031 141.188-153.389 132.733 7.561 129.438-163.285 121.862 -78.164 137.594-154.912 138.196 -48.696 118.752-167.509 149.552-158.298 115.510 -87.212 143.421-171.694 92.887 3.452 149.234 -33.221 93.988 74.195 129.403 -75.774 136.983-151.006 152.122 -21.006 121.831-168.654 148.343 -84.221 139.742-151.692 154.848 113.420 130.664-166.320 137.514 -75.159 142.627-165.896 176.446 176.977 133.430-166.966 154.191-179.734 124.225 -69.879 159.807-156.672 92.144 0.000 129.463 -76.143 # 17 total E -9.49279E+01 rmsd from N 0.000 %NC 0.00 1 122.912-104.119 147.161 -22.061 131.785-117.477 134.762 -24.727 94.228 45.233 141.624-150.046 90.723 52.232 129.291 -75.308 89.998 47.587 137.099-110.492 91.009 44.358 113.942-123.283 89.732 44.962 108.661 -57.716 88.894 52.119 132.085 -89.679 88.695 60.708 139.685-146.257 88.800 68.039 123.378 -33.820 91.860 84.542 141.200 -86.978 92.786 76.759 99.149-104.934 97.247 153.664 99.694 -97.724 128.147 74.586 151.207-162.906 102.482 166.859 140.903-149.194 143.227-169.789 140.528 160.024 94.979 6.960 137.879 -91.618 104.376-172.566 144.633-105.612 132.827-103.432 154.964 -49.722 126.175 -59.213 102.531 -82.083 111.873-171.033 0.000 0.000 136.200 -98.417 158.217 121.890 123.226-113.955 137.595 -90.120 91.044 60.591 131.312-143.821 91.265 70.401 110.960 -74.626 92.528 78.278 145.339 -20.478 92.872 77.974 120.197-151.957 96.904 -76.964 113.568 -88.532 117.195 -87.680 159.049-147.950 94.920 90.237 134.457-160.029 87.966 49.016 114.288 -75.745 89.985 57.255 95.056 -42.838 88.517 48.922 115.797 -75.126 88.776 46.869 128.168 -75.384 86.208 47.455 105.067 -81.549 87.795 49.134 136.995 -84.951 87.228 48.289 144.809-168.108 87.472 47.661 128.635 -75.138 87.317 50.605 121.644 -56.490 88.758 47.958 128.753 -74.169 89.100 45.592 129.025-104.449 89.394 52.753 107.507 -69.196 89.817 66.131 138.494-114.469 90.593 67.823 134.024-144.295 94.232 68.200 99.912 -82.727 91.928 0.000 128.824 -76.233 # 18 total E -8.98265E+01 rmsd from N 0.000 %NC 0.00 1 91.959 20.888 119.125 -54.125 130.426-138.986 139.818 -0.899 94.636 51.207 142.014-161.592 90.898 50.180 130.060 -76.269 88.911 51.651 130.299-103.636 88.227 49.221 116.163-137.313 87.966 47.906 108.174 -63.388 87.502 55.325 144.094 -77.571 89.122 70.208 150.729-137.416 87.707 88.359 120.429-140.805 91.966-144.324 132.419 -94.667 93.118 80.892 103.957-107.720 89.668 53.220 104.127 -73.547 91.358 65.686 144.788-108.033 92.984 69.428 123.770-151.400 94.722 34.565 116.525-107.420 106.696 166.037 128.692 -67.556 139.938 167.501 142.076 115.816 104.752 -14.360 92.970-132.149 93.360 -64.935 105.830 -77.910 96.940 -68.999 0.000 0.000 92.816 116.581 176.443 177.677 92.368 54.517 149.507-104.171 90.763 44.386 102.086 -82.954 92.432 60.999 132.902 -44.617 91.460 79.610 138.356-147.243 92.794 37.430 128.071-139.306 94.885-178.347 106.467 -83.685 131.260-174.548 158.051 -12.095 95.473 88.097 90.123 -98.257 151.938-179.674 135.198 -85.946 92.237 9.742 135.428-100.677 110.110-162.396 117.488 -76.439 133.000-166.963 135.496 -61.259 104.438 -11.329 106.504 -82.516 121.317-149.442 156.792 -10.046 92.180 45.735 153.379 147.949 90.609 48.632 128.856 -75.194 89.374 49.112 114.862 -43.915 89.495 49.735 128.464 -75.788 88.998 48.120 129.691 -99.289 89.079 53.921 107.350 -69.514 90.122 64.699 141.423-113.408 91.036 69.799 132.107-145.559 94.679 64.158 100.613 -82.825 91.930 0.000 129.192 -76.287 # 19 total E -9.62029E+01 rmsd from N 0.000 %NC 0.00 1 126.041-132.531 136.748 -20.312 123.294-164.475 146.749 -31.752 93.901 60.748 154.024 -10.052 91.587 97.740 129.932 -75.901 96.024 80.473 86.402 -81.395 142.586-153.978 158.554 8.602 92.661 54.020 110.760 -62.187 90.839 87.150 148.600 -81.153 90.335 80.593 145.072 -98.098 87.774 87.241 125.443-133.238 91.743-148.707 127.380 -92.977 93.428 74.395 130.187-153.921 89.705 56.099 104.093 -94.417 90.034 76.218 140.322 -61.949 91.120 77.331 129.084-156.207 93.211 105.564 109.774-113.891 140.270-170.996 131.326 -86.816 92.589 -1.122 137.373-101.869 114.621-162.216 73.430 89.125 125.222-134.553 147.164 -24.847 96.517 45.469 0.000 0.000 92.704 49.258 120.967 -74.438 91.371 48.958 148.281-100.276 91.149 41.392 119.763-122.419 90.658 54.904 113.848 -75.833 90.800 66.980 149.747-152.954 91.340 60.548 128.517-119.175 93.540 115.820 107.012 -87.978 139.311-177.502 156.554 -13.819 94.398 13.915 99.231-110.658 118.557-103.025 119.409 -79.883 130.222 -99.614 143.347 8.364 132.683-164.626 115.781 -83.226 92.822 54.992 128.993 -75.685 91.326 44.953 105.495 -81.523 89.205 50.980 155.350-172.136 87.968 47.318 138.794-132.641 88.256 46.613 128.865 -75.471 86.587 51.245 115.105 -35.896 88.459 50.332 125.164 -74.098 87.444 48.676 128.986-104.974 87.780 56.331 103.651 -57.364 89.048 66.667 136.765 -61.932 90.513 68.856 136.098-148.943 94.491 66.570 99.236 -84.177 91.933 0.000 129.004 -76.299 # 20 total E -1.00801E+02 rmsd from N 0.000 %NC 0.00 1 92.214 -39.771 125.820 -87.061 123.549-132.325 137.415 -35.399 94.993 43.022 141.512-156.158 91.092 51.738 131.336 -78.036 89.152 58.345 129.262 -46.961 87.857 50.588 122.002-133.304 87.699 50.148 105.323 -73.009 88.565 59.375 136.427 -76.200 89.998 73.236 142.563-111.173 91.231 96.475 114.857-144.819 118.188-126.838 142.102-104.748 93.683 69.242 100.637-104.544 90.901 64.516 103.687 -77.947 91.618 85.122 148.939-143.852 90.924 61.878 131.846-145.630 94.010 104.799 122.368-107.605 147.518 175.408 137.400 -69.964 92.324 -7.827 137.037-100.516 113.809-139.440 97.651 82.621 127.903-126.150 147.537 -8.546 97.402 43.124 0.000 0.000 92.116 49.833 112.145 -78.620 91.089 54.630 132.563 -99.735 90.213 46.576 122.155-130.860 88.922 53.582 112.858 -76.382 90.329 62.836 150.629 -40.690 91.481 66.974 140.017-118.214 93.528 108.146 105.935 -89.318 137.695-175.496 155.894 -11.571 94.433 13.185 99.288-110.403 112.176-109.399 118.160 -79.123 136.024-110.740 140.254 -18.208 128.063-161.338 119.782 -81.695 92.321 59.340 129.271 -76.036 91.850 47.853 104.330 -81.742 90.451 47.186 150.426 -29.960 88.549 48.463 150.698 168.610 89.079 47.323 128.861 -75.462 88.536 47.071 107.864 -39.950 89.488 48.185 129.372 -76.603 89.060 54.040 125.559-108.741 88.107 63.944 108.113 -70.756 89.330 73.611 142.039-130.078 91.537 71.340 138.911-136.091 94.931 67.941 101.146 -83.051 91.925 0.000 129.037 -76.199 # 21 total E -9.89587E+01 rmsd from N 0.000 %NC 0.00 1 91.989 73.910 132.128 -77.522 143.640-178.552 121.816 -45.610 95.472 4.532 143.987-142.835 118.461-150.420 144.848-102.037 132.243 162.928 153.680 -1.777 114.339 12.477 137.385 161.157 123.528-136.421 138.300 -51.340 91.872 51.623 125.804 -88.207 92.682 82.849 143.181 -27.043 89.429 65.608 108.231 -77.636 94.371-178.689 123.682-113.318 93.646 77.339 133.980-160.014 90.707 61.258 102.429 -86.573 91.569 78.618 148.862-125.410 93.032 83.047 134.565-132.109 94.324 16.548 110.314-120.680 114.035-166.070 153.658 -70.381 132.324-179.239 152.318 116.074 114.443 -9.163 91.225 -57.746 96.913 -71.992 142.209 -4.854 107.587 -37.771 0.000 0.000 97.009 113.472 176.447 173.772 90.025 65.602 134.179 -83.115 90.432 66.692 81.847 -66.931 89.805 68.956 112.649 -72.472 90.632 61.203 143.141-121.008 92.198 63.293 135.172-134.523 94.395 109.338 107.063 -87.988 138.481-167.275 118.880 -81.001 94.165 9.352 98.341-115.202 124.474 172.127 124.650 -79.672 136.482-109.027 138.091 -23.318 127.807-124.378 123.035 -83.405 92.475 64.554 129.157 -75.830 89.631 53.536 104.013 -81.797 89.807 49.580 149.736-127.246 88.526 47.223 134.246-132.112 88.674 48.047 128.819 -75.453 87.107 52.309 124.512 -54.693 88.491 49.972 127.613 -76.303 87.546 52.763 127.771 -93.425 88.203 63.755 107.333 -61.396 89.070 70.442 149.650-109.376 90.876 71.622 135.752-125.066 94.649 67.664 100.545 -83.980 91.929 0.000 128.966 -76.245 # 22 total E -9.84188E+01 rmsd from N 0.000 %NC 0.00 1 126.351-113.291 135.404 -8.241 126.940-121.242 136.800 -48.444 93.307 44.667 143.852-152.458 90.590 54.604 129.089 -76.480 90.155 60.393 165.253-179.777 88.432 51.209 130.948-107.701 89.113 44.329 104.033-136.607 89.845 56.622 143.850 -66.498 90.710 72.640 142.922-151.645 90.240 99.088 117.887-145.446 117.063-146.420 151.440-120.453 91.497 71.917 103.790-107.931 90.394 79.811 105.106 -81.509 91.742 94.356 157.341-127.517 93.089 50.422 125.634-144.019 99.340-176.112 131.732 -98.277 146.061-169.947 141.841 59.060 93.419 -10.405 106.492 -80.490 107.930-103.047 122.956 -67.450 94.272 52.268 138.662 -1.019 96.363 59.952 0.000 0.000 134.626 160.465 163.795 176.132 138.226-118.130 157.470 -52.094 91.722 48.339 127.702-134.027 90.267 58.459 109.651 -73.978 89.474 52.491 136.308 -68.292 92.320 48.999 132.700-129.766 94.109 35.499 142.141-127.627 116.279 84.286 107.600 -83.216 137.176 170.946 118.447-109.918 94.109 31.933 115.071 -77.207 91.256 55.226 110.308 -33.195 87.833 57.735 149.150 -11.937 88.860 47.553 129.275 -76.364 85.673 47.425 103.957 -81.946 88.465 52.775 148.173-115.320 87.187 49.795 141.768-119.272 87.685 43.198 128.542 -75.231 87.301 50.166 101.696 -43.103 88.891 49.951 129.215 -77.993 87.934 48.409 128.808-108.950 88.312 54.174 103.873 -66.226 89.727 65.634 141.852-102.555 90.714 68.709 130.003-139.087 94.646 64.723 100.165 -83.205 91.933 0.000 129.171 -76.315 # 23 total E -8.59824E+01 rmsd from N 0.000 %NC 0.00 1 121.316 -99.016 153.021 -55.175 128.022-132.474 138.627 -44.141 94.103 46.090 142.086-149.048 90.841 51.885 131.370 -77.640 89.590 57.609 129.890 -46.390 87.620 47.608 119.954-131.036 87.948 48.373 101.436 -68.457 89.374 58.388 150.164 -77.964 91.117 69.050 143.322-100.609 90.210 93.883 116.181-147.161 138.227-151.501 157.118-104.219 91.512 59.604 130.231-154.124 90.734 77.734 110.408 -77.460 91.241 96.185 143.823 -40.748 91.507 64.390 126.110-145.302 99.692 170.582 95.171-107.049 134.650-166.548 143.989 67.459 94.057 -9.926 124.502-105.980 108.479-102.413 114.339-130.851 93.879 50.910 134.185 -14.941 96.656 66.054 0.000 0.000 127.400 166.296 173.751 158.340 130.582-125.083 140.935 -82.142 91.304 58.602 121.352 128.258 90.838 97.878 116.500 -73.480 90.721 66.664 125.015 -77.000 93.179 85.915 135.965-142.975 94.458 63.899 150.805 -25.541 117.263-107.337 152.100 -22.506 117.655-169.926 123.792-133.900 133.586-175.072 128.898 -83.162 93.189 1.604 135.839-104.024 116.018 173.470 119.196 -77.161 127.355-161.727 154.041 -80.859 95.751 43.409 103.828 -81.861 91.972 51.059 145.655-124.345 90.266 50.044 148.871 -38.445 89.076 46.213 128.149 -75.418 87.636 50.843 112.740-130.608 89.067 49.174 128.369 -76.383 88.411 50.739 127.940 -99.263 89.226 59.775 107.647 -64.750 89.808 65.447 136.776 -78.052 91.254 72.569 137.812-159.502 94.741 63.696 99.853 -84.139 91.942 0.000 129.249 -76.267 # 24 total E -9.25625E+01 rmsd from N 0.000 %NC 0.00 1 124.620-108.369 141.115 -10.791 131.164-118.901 133.646 -21.047 93.950 42.867 141.927-154.110 90.391 55.046 132.079 -76.331 89.115 46.846 143.967-130.551 91.025 43.892 118.361-117.593 90.246 46.383 109.745 -57.917 88.861 54.460 130.793-101.522 89.374 71.900 142.273-140.057 88.571 80.239 116.643-137.643 92.594-147.028 132.532 -89.523 93.764 76.172 130.069-153.525 90.240 57.492 103.229 -76.688 91.365 85.953 147.273 -87.051 89.987 66.749 126.310-164.491 93.341 106.850 107.293-115.334 142.917-177.321 138.931 -74.984 92.734 2.783 136.820 -99.706 120.708-158.141 109.702 62.475 125.857-124.475 142.492 -11.150 98.012 43.448 0.000 0.000 92.808 50.406 115.055 -75.832 90.589 51.808 134.003-109.629 90.230 52.466 121.282-119.665 88.315 61.701 108.882 -71.967 90.480 58.550 138.958 -53.557 91.528 59.768 146.141-124.812 94.826 102.873 106.929 -87.487 134.900-171.766 152.907 -19.940 116.515 4.757 123.595-134.568 126.334 -3.795 121.865 -80.956 137.629-179.496 134.939 -11.278 110.378-164.742 140.548 -37.193 93.769 -3.272 129.996 -76.496 119.288 173.163 147.908 -11.890 91.318 68.694 147.939 -12.482 90.778 87.806 147.558 -39.324 88.785 59.881 128.152 -75.664 88.327 103.491 117.826 -91.742 90.882 73.791 127.509 -75.748 87.341 66.606 96.749 117.917 88.622 83.079 108.229 -69.943 90.677 72.670 142.901-121.249 92.876 86.979 142.167-142.003 95.131 60.524 102.377 -84.638 91.919 0.000 129.288 -76.186 # 25 total E -9.86687E+01 rmsd from N 0.000 %NC 0.00 1 122.893-125.158 150.327 -74.842 128.051-171.925 132.853 -0.602 138.207-160.067 112.296 -67.006 91.321 -7.436 129.503 -76.730 120.654 173.793 155.338 169.343 105.635 -17.884 161.164 166.224 91.164-102.895 118.657 -56.637 89.787 62.850 130.606 -60.006 92.549 64.382 157.753-146.606 97.969 147.847 130.523 -39.792 143.128-171.599 141.127-128.114 96.120 44.172 95.349 -91.466 97.424 56.352 106.143 -86.797 92.163 100.696 162.410 166.045 92.208 75.688 132.571-166.851 93.273 95.398 118.160-114.189 125.867-165.890 147.334 -97.499 93.521 -3.304 137.266-100.887 123.655-170.561 86.905 58.393 113.509-153.944 154.695 -9.435 96.121 53.740 0.000 0.000 92.524 52.840 118.389 -82.135 90.817 52.730 139.456-101.301 90.347 51.504 121.772-115.399 88.729 79.762 115.261 -78.160 91.819 82.126 138.856 -41.139 93.263 68.932 130.923-136.698 119.041 -7.736 112.214 -88.030 117.521-132.798 151.629 -19.756 94.046 72.906 99.549-109.826 90.336 55.131 114.383 -76.955 90.597 74.790 109.649 -56.478 91.269 55.324 124.392 24.479 90.659 42.981 128.427 -75.745 89.297 45.967 102.959 -81.856 89.056 52.012 145.784-101.376 88.192 47.725 147.675 -44.244 88.910 42.886 127.971 -75.106 88.457 49.707 127.717 -81.547 89.094 50.412 128.033 -76.733 87.144 50.519 129.249-102.510 87.923 58.537 100.743 -60.637 89.109 65.342 132.603 -62.866 90.648 72.034 138.872-148.067 94.588 63.927 99.373 -84.484 91.933 0.000 129.182 -76.320 # 26 total E -8.39676E+01 rmsd from N 0.000 %NC 0.00 1 122.599-134.964 149.904-100.313 127.711-175.256 132.730 0.795 139.707-160.506 114.997 -68.781 91.268 -3.472 129.410 -76.703 111.469 170.784 155.886 147.027 104.618 -9.519 168.581 13.797 91.535-107.460 102.259 -73.345 92.533 51.572 128.213 -98.236 92.452 72.432 150.943-173.729 99.739 159.349 127.935 -42.399 140.576-161.208 144.819-140.403 92.048 60.835 97.934 -91.609 89.712 59.253 104.614 -82.207 90.888 92.541 147.551 175.162 90.117 73.360 109.646 -91.890 92.660 100.543 114.538 -97.024 136.416-171.983 140.452 -93.579 92.778 -4.150 136.473-101.636 117.568-162.663 69.555 57.538 116.371-166.647 151.942 -15.515 96.427 60.781 0.000 0.000 93.551 45.047 122.554 -81.627 91.788 48.754 151.395 -99.443 91.478 40.954 119.446-119.318 91.106 52.503 115.224 -76.151 90.956 61.025 144.111-132.804 92.322 63.169 138.342-125.420 94.559 -8.751 105.895 -87.842 126.116 149.366 150.014 -17.051 127.159 173.616 128.324-132.831 94.056 -13.632 114.456 -76.448 109.484 154.248 145.998-141.661 128.223-158.930 122.713 -79.497 131.235-158.207 161.745 -93.175 140.387-178.518 142.989-134.360 114.494 -92.595 142.965-179.906 93.586 7.648 151.820 -27.395 93.799 74.095 129.647 -75.988 126.897-169.515 135.080-140.781 127.210-161.435 153.315 -79.417 134.237-153.215 160.636-119.996 127.442-158.699 150.807 -53.321 93.641 57.158 132.274-157.015 95.035 99.061 138.241-145.228 95.768 57.206 104.458 -86.883 91.916 0.000 129.341 -76.158 # 27 total E -8.22107E+01 rmsd from N 0.000 %NC 0.00 1 91.949 56.668 121.933 -57.995 145.600-179.317 118.335 -43.435 98.102 -2.317 105.337 -79.358 108.865-174.468 145.462 -83.443 126.538-155.174 159.572 21.821 131.464-106.835 142.356 166.921 92.658 36.852 101.138-111.166 92.433 68.563 162.964 -40.385 90.486 84.030 147.763 -94.285 90.792 113.729 122.387-132.109 92.263 169.500 124.163-121.418 97.610 19.807 132.201-155.371 103.519-153.699 136.443-109.212 128.635-106.733 135.714-151.347 96.646 8.239 140.102-144.797 95.741 103.308 127.191 -99.189 141.927-176.740 140.302 24.298 92.908 -8.102 139.802-102.923 128.053-121.707 113.468 74.306 117.415-129.884 152.966 -18.003 96.395 45.967 0.000 0.000 92.594 50.804 110.150 -80.034 90.671 52.755 131.927 -94.499 89.999 49.861 120.392-129.820 88.378 57.174 116.963 -75.134 89.942 53.346 143.669 -40.744 92.019 55.822 138.685-128.479 95.232 104.609 106.451 -86.922 135.051-173.055 152.959 -21.807 117.148 4.529 123.399-133.947 126.145 -4.020 121.817 -80.940 136.784-179.977 134.390 -7.929 110.883-166.025 135.426 -49.982 93.591 -5.347 130.123 -76.580 115.471 165.650 146.672 -0.412 91.693 66.326 139.335 -19.067 92.670 103.271 143.492 -51.411 89.696 61.157 128.376 -75.789 89.592 100.960 97.110-109.342 91.400 72.427 126.883 -75.116 88.407 60.917 112.014-119.181 89.706 69.516 96.576 -77.187 91.134 71.971 143.259-108.895 92.708 78.938 132.112-164.907 95.149 61.659 101.635 -83.953 91.917 0.000 129.419 -76.148 # 28 total E -9.37017E+01 rmsd from N 0.000 %NC 0.00 0 92.470 -66.721 129.294 -86.624 123.503-155.713 146.306 -96.058 95.135 45.076 142.543-144.660 91.555 52.023 131.951 -78.271 91.449 52.332 136.554 46.179 90.015 47.998 115.627-120.973 88.038 49.726 103.059-135.135 90.216 61.819 157.722 40.287 88.452 68.793 146.980 -82.003 89.103 93.641 110.055-144.188 125.410-161.903 157.103 -19.478 91.518 69.128 133.178-158.988 88.510 65.212 137.279-133.351 89.992 76.527 125.054 -68.539 90.869 73.805 132.652-149.139 93.906 99.089 113.744-115.418 126.031-128.263 150.732-115.236 93.555 -5.635 135.773 -93.997 117.460-179.938 108.526 19.395 130.315 -73.944 117.150 -77.888 127.533 -9.949 0.000 0.000 94.452 76.441 143.706 -90.221 93.634 40.840 146.948-100.827 91.636 49.312 136.222-174.516 89.829 59.726 110.817 -75.211 90.490 66.098 149.140-110.630 91.368 59.261 132.086-145.546 91.991 66.573 141.403-122.538 132.549-159.990 114.633 -82.988 94.089 10.465 101.494-116.735 117.848 146.901 137.675 10.893 93.412 -20.239 99.759 -52.924 102.042-142.218 121.814 -75.966 92.622 49.583 129.026 -75.882 93.425 48.272 104.671 -81.913 91.080 48.765 152.096 -18.380 88.641 49.173 141.344 -85.888 89.103 47.444 128.201 -75.333 88.517 46.194 112.483 -38.724 89.492 48.163 127.760 -75.354 88.781 49.257 129.573-101.278 88.861 50.704 104.010 -61.313 90.370 57.488 148.786 -38.678 91.988 69.371 133.430-158.803 95.043 60.162 99.363 -81.315 91.920 0.000 129.396 -76.320 # 29 total E -8.55694E+01 rmsd from N 0.000 %NC 0.00 1 92.041 58.854 137.535-102.854 128.292-176.522 149.395 -20.784 94.603 62.863 147.587 -20.908 92.144 107.774 129.801 -75.872 94.464 69.741 96.509 -72.325 123.276 135.127 165.799 6.158 100.097 -5.130 109.196-127.161 126.132 164.930 160.946 -61.477 115.186-168.729 158.084 -94.861 124.936 -10.363 151.494 174.426 93.101-176.266 151.956 -10.981 120.921 -94.433 118.216-126.069 88.960-125.985 138.259-144.327 92.200 57.800 137.053 173.429 94.858 95.853 141.283-139.632 95.307 92.243 125.864 -93.758 143.877 178.869 126.965 -47.418 92.744 -4.773 116.036 -70.019 114.447 168.953 118.635-111.933 130.576-171.041 141.759 145.198 99.200 40.594 0.000 0.000 92.707 62.342 148.286 -88.913 89.858 47.704 143.197-105.878 90.189 42.282 112.731-111.792 91.080 52.574 109.632 -74.683 91.750 60.357 150.900-127.690 93.584 55.032 132.957-117.130 97.533 -7.488 105.618 -87.922 126.460-162.163 153.149 -15.253 91.936 81.099 144.277-176.623 87.088 52.352 116.478 -74.801 89.173 63.721 98.147 -47.396 87.094 56.930 117.770 -74.096 88.302 47.083 128.514 -75.306 86.863 47.664 103.360 -82.330 88.011 50.045 133.111 -90.922 87.221 49.131 136.527-139.410 87.919 48.132 128.559 -75.193 87.200 50.218 106.235 -45.758 88.968 48.933 126.373 -74.207 88.951 47.756 129.945-101.435 89.396 54.150 106.224 -68.542 90.111 64.512 141.299-110.233 91.163 69.927 130.160-151.501 94.681 64.120 100.490 -82.920 91.927 0.000 129.193 -76.287 # 30 total E -8.58436E+01 rmsd from N 0.000 %NC 0.00 1 92.176 -37.315 119.480 -67.314 125.861-124.040 132.902 -53.594 93.510 43.460 140.587-157.627 90.333 53.966 130.990 -77.129 91.311 52.796 162.245 2.184 91.322 42.196 115.011-131.994 90.280 47.007 104.473 -71.524 90.372 66.198 143.079 -87.701 91.079 74.055 142.143 -93.048 88.726 112.129 116.095-149.342 103.301-160.022 135.779-113.317 96.170 26.669 101.690 -97.737 116.491 179.832 149.699 -6.047 120.642 62.998 133.418 -98.547 97.903 137.044 135.263-167.703 123.548-107.883 141.218-140.042 97.259 -1.363 137.947 -88.262 111.304 165.845 147.403 -29.906 129.098-108.810 144.959 -38.104 95.734 9.556 143.793-133.963 130.102-179.446 0.000 0.000 133.335-107.894 164.315 128.090 117.886-165.471 165.765 173.608 90.877 62.785 129.902-111.364 91.666 100.376 109.547 -73.063 92.013 57.303 143.148 -98.021 93.406 108.443 125.348-129.117 143.171-111.001 120.467-103.113 96.971 78.199 147.068 -22.420 133.291-178.715 100.490 -87.657 96.616 67.988 125.847 53.372 93.411 86.811 132.368-105.059 97.074 0.184 111.482 -67.977 140.342-134.619 129.522 -50.469 90.214 48.213 100.282 -82.346 90.257 58.977 157.906-150.491 87.673 50.448 141.455 -45.170 87.978 51.465 128.365 -75.483 85.447 57.948 109.444 -41.296 88.339 51.301 125.402 -74.261 88.183 48.943 130.580 -87.805 89.209 56.537 106.497 -61.985 89.843 64.802 140.996 -94.291 91.167 71.297 132.290-153.292 94.715 63.883 100.214 -83.676 91.930 0.000 129.206 -76.287 # 31 total E -1.02842E+02 rmsd from N 0.000 %NC 0.00 1 92.269 -47.996 125.914 -84.011 123.672-131.479 137.814 -36.735 94.533 43.736 141.292-156.108 91.037 52.073 130.675 -77.537 89.071 58.598 129.352 -51.098 87.813 51.438 122.743-133.091 87.770 53.433 109.113 -76.492 88.265 67.450 135.570 -72.255 91.166 74.525 143.806-129.890 92.728 101.711 103.249 -68.204 125.129-123.849 143.350-106.063 93.799 63.145 97.313 -99.146 92.236 64.937 105.309 -72.674 91.361 79.130 151.989-150.653 91.217 61.947 129.671-141.217 94.601 105.294 124.447-107.138 146.404 171.727 140.049 -74.240 92.444 -3.544 135.629 -96.255 113.830-142.060 113.522 45.154 128.140-137.330 146.550 -5.650 97.726 47.477 0.000 0.000 92.810 50.238 120.711 -73.579 91.697 50.435 131.496 -98.849 90.412 49.615 118.722-117.712 89.596 70.075 111.285 -75.838 91.867 70.716 152.030 -31.893 93.501 65.739 137.730-134.884 124.601 -8.566 113.485 -87.510 118.184-127.343 152.152 -20.345 93.413 73.056 100.012-110.851 90.237 49.490 114.308 -76.887 90.213 60.423 112.354 -48.159 89.130 49.604 112.464 -74.293 89.484 44.303 128.407 -75.460 87.659 45.343 104.214 -81.424 88.401 50.366 146.159 -96.428 87.623 46.740 137.841-179.777 88.611 44.597 129.149 -75.428 88.554 49.909 109.205 -45.067 89.254 50.334 130.154 -76.080 88.763 48.914 127.274-106.764 89.157 56.640 106.230 -70.224 90.226 72.975 139.539-115.435 90.973 71.163 134.554-167.328 93.896 79.726 100.184 -83.066 91.890 0.000 127.964 -75.649 # 32 total E -8.29324E+01 rmsd from N 0.000 %NC 0.00 1 124.163-128.692 143.953 -36.049 124.927-151.713 151.254 -16.425 92.449 57.933 143.542-140.609 90.543 64.803 130.367 -76.364 90.039 55.671 116.842 -75.052 88.190 53.209 137.113-176.333 87.624 49.827 101.385 -65.456 89.498 59.728 133.615 -71.037 89.449 77.445 144.315 -75.517 88.521 69.620 116.042-142.431 92.377 151.306 118.909 -98.485 96.482 17.366 130.266-155.401 118.445-167.658 108.292 -83.338 127.766-174.951 149.471-132.625 104.116 2.368 151.965 -27.895 111.410-173.683 154.701-107.189 133.381-171.426 145.799 26.472 93.077 7.847 137.429 -96.928 120.505-178.216 99.206 -44.114 114.384 9.198 112.416 -81.399 97.015 149.097 0.000 0.000 129.758 145.141 169.641 12.651 125.828-111.717 134.703 -89.296 90.811 51.203 129.942-143.501 90.748 68.533 109.938 -75.104 90.716 76.372 140.614 -52.705 90.514 61.570 123.869-146.807 92.225 119.185 106.902 -86.872 136.384-161.179 155.469 -20.122 112.277 9.250 124.324-137.828 127.079 -1.937 121.751 -80.740 139.661-162.475 144.848 -59.181 90.532 59.763 129.373 10.105 89.154 58.183 128.482 -75.402 86.726 50.022 145.285 -18.868 88.236 46.300 137.441 -46.592 88.535 47.171 141.975-116.517 89.100 47.570 128.077 -75.252 87.341 50.236 108.729 -45.228 89.420 47.475 125.117 -74.749 88.718 49.219 169.906 -94.514 88.842 56.170 111.200 -70.366 89.776 66.984 144.491-124.235 91.486 70.647 133.033-138.872 94.571 64.825 140.976-122.823 91.935 0.000 129.161 -76.282 # 33 total E -9.60220E+01 rmsd from N 0.000 %NC 0.00 0 123.020 -92.897 143.718 0.481 127.814-130.709 135.537 -51.859 93.488 46.026 141.705-152.576 90.637 53.757 131.281 -78.549 89.011 59.773 165.342 3.222 88.034 55.367 118.077-138.304 88.718 47.224 100.316 -72.679 88.632 57.163 141.421 -71.138 89.290 69.944 138.573-116.857 89.430 87.165 118.100-141.896 92.987-174.725 125.339 -86.752 93.978 74.097 128.556-151.292 92.583 52.099 97.887 -84.404 92.822 81.034 152.414 -24.328 93.201 78.827 129.507-148.758 94.421 16.136 103.814-121.361 118.546-170.403 152.786 -68.685 128.316 179.501 144.663 127.984 124.390 -7.070 100.903 -39.188 97.582 -63.012 154.391 -18.083 108.269 -46.225 0.000 0.000 95.874 115.483 176.359 174.651 91.682 71.334 123.297 -74.941 90.083 61.995 97.713-106.152 89.011 70.612 116.523 -81.686 90.067 71.386 141.424-102.841 91.822 70.477 132.983-136.097 93.311 105.213 108.961 -88.005 137.984-169.466 114.459 -78.375 93.578 11.954 99.300-112.997 112.978-177.945 118.506 -79.140 129.496 -94.437 135.302 9.730 124.014-130.415 119.420 -76.031 92.233 56.606 129.137 -75.737 91.042 47.204 104.885 -81.646 89.469 48.088 156.937-163.086 87.883 49.419 132.733-133.735 87.904 51.072 128.703 -75.528 86.415 49.287 99.447 -41.533 89.193 47.200 126.516 -75.761 89.070 48.680 129.995 -95.275 88.989 57.141 108.345 -66.868 89.793 66.287 148.294-128.224 90.976 69.372 135.436-143.744 94.462 67.541 100.757 -83.180 91.918 0.000 128.918 -76.198 # 34 total E -8.49738E+01 rmsd from N 0.000 %NC 0.00 1 91.938 89.059 115.963 -39.793 144.978 177.495 126.467 -54.409 97.346 -6.509 146.462 -37.482 108.564 160.330 146.731 -69.981 120.097 -1.494 151.973 136.104 111.085-113.035 138.613 175.145 90.433 41.135 128.366-135.640 92.255 69.236 159.889 -2.452 89.449 82.212 136.989 -59.168 88.849 84.002 117.659-150.473 92.220-151.437 135.989 -87.111 94.413 75.583 131.264-155.535 89.669 56.727 103.382 -81.534 91.630 81.626 130.082 -68.595 93.379 96.244 135.739-150.761 93.182 39.193 112.785-122.634 105.186 175.121 148.874 -74.415 132.507-116.150 142.344 57.946 127.185-108.726 129.380-108.825 96.558 6.711 144.821-137.183 109.456-173.123 0.000 0.000 93.884 56.692 111.902 -85.409 90.275 60.058 148.972 -95.649 90.118 46.550 89.140 -66.781 88.692 51.946 112.956 -78.070 89.758 50.387 137.476 -60.069 91.781 50.715 134.142-130.578 93.853 31.885 109.877 -88.785 121.949 86.423 108.103 -80.781 137.579 167.045 117.762-109.233 93.630 31.274 114.774 -76.951 92.614 76.134 133.748-106.385 91.806 96.782 128.274 -7.133 90.443 53.201 128.805 -75.824 88.592 46.245 138.685-139.614 90.000 52.825 152.014 -23.534 88.775 47.174 137.301 -86.901 89.355 41.357 128.270 -75.272 88.689 49.473 109.632 -33.917 89.586 47.713 127.929 -78.888 88.565 50.169 127.408-107.117 88.747 59.065 104.393 -62.037 89.817 64.237 141.407 -93.320 91.358 71.826 142.248-170.536 94.724 63.913 100.118 -83.955 91.931 0.000 129.195 -76.285 # 35 total E -9.07800E+01 rmsd from N 0.000 %NC 0.00 1 92.126 -28.234 119.901 -65.968 127.913-120.737 133.547 -21.758 94.436 43.646 140.507-160.592 90.673 52.049 129.928 -75.398 90.055 50.246 140.984-107.969 91.126 42.307 116.724-131.265 89.296 45.671 106.241 -66.595 88.786 60.299 139.396 -91.830 89.249 68.031 143.850-133.678 87.221 81.041 117.189-140.819 93.309-148.962 125.371 -85.842 93.112 71.510 129.049-152.588 89.893 55.375 104.984 -81.595 90.739 82.257 142.206 -36.013 88.300 63.069 128.796-158.209 88.926 62.370 101.140-111.319 91.513 94.878 137.848 -67.648 91.682 65.570 127.669-166.834 92.519 101.883 138.879-141.905 153.818-124.070 118.172 -84.260 94.686 62.394 0.000 0.000 92.813 48.243 125.686 -55.136 91.684 47.298 166.579-147.010 89.771 45.705 115.456 -71.017 89.786 63.650 112.811 -74.558 90.164 68.627 152.822-165.232 92.026 83.190 125.482-137.420 130.215 -99.663 117.183 -94.300 96.539 81.217 145.940-123.001 95.815 117.735 95.329 -70.295 138.637-149.999 150.961 8.792 129.748-143.489 130.354-145.651 129.420 93.724 147.577 24.686 91.057 -8.968 128.651 -75.757 92.806 -79.803 105.740 -75.649 113.740-173.717 154.594 -5.925 132.545-154.277 160.489-164.736 144.598-152.426 145.021 -35.162 99.749 97.472 136.950 -74.971 92.133 -13.586 127.519 -76.810 94.260 -77.199 132.573 -89.224 93.507-178.605 130.667 -83.874 144.279-158.921 170.998-155.439 136.536-157.549 110.354 -84.172 122.580-152.898 154.010 -21.798 92.195 0.000 129.200 -74.990 # 36 total E -8.61112E+01 rmsd from N 0.000 %NC 0.00 1 92.011 50.071 132.956 -93.727 140.115-171.834 135.578 75.881 96.357 7.609 107.791 -80.572 121.786-163.477 144.303 -80.784 135.726 178.311 161.325-171.914 107.041 -8.513 153.102 170.021 97.413-131.385 126.609 -64.703 89.952 74.407 131.616 -53.556 90.305 79.837 157.098 159.890 88.327 87.255 101.163 -82.411 92.885-142.696 135.726-103.988 94.187 76.777 132.139-155.376 90.291 59.974 103.161 -86.141 91.641 88.857 145.907-146.638 90.246 71.084 109.117 -92.700 93.877 102.256 105.800-112.470 146.218 161.839 129.325 -61.726 92.666 -4.972 158.483-154.872 106.726-144.635 93.257 69.389 138.860-157.856 165.556 -2.725 94.053 53.035 0.000 0.000 90.790 61.206 122.327 -84.414 88.613 56.500 152.194-110.526 89.113 57.915 123.942-117.699 88.468 85.925 111.338 -78.197 91.449 99.040 156.884-167.708 91.021 59.453 131.358-134.598 93.344 140.010 108.074 -85.597 130.536-153.456 158.701 -10.372 116.122 5.745 121.648-132.071 122.932 161.072 123.926 -78.573 138.286-165.934 133.307 20.438 95.215 1.014 113.191 -77.650 112.781 174.965 138.427 -71.562 129.975 47.136 154.100 -1.404 92.866 172.867 151.678 131.270 137.500-170.711 174.307 3.508 124.764-148.446 148.887 -69.013 92.247 52.980 127.125 134.258 90.520 65.007 128.461 -76.269 90.055 61.267 129.021 -70.047 90.293 71.175 121.464 -69.153 90.741 73.570 138.567-130.335 92.508 80.653 137.597-144.755 95.106 62.363 102.033 -83.649 91.922 0.000 129.282 -76.202 # 37 total E -9.38400E+01 rmsd from N 0.000 %NC 0.00 1 92.111 -9.390 133.567 -99.977 131.447-144.959 146.995 -44.569 92.598 51.802 109.942 -79.256 90.126 61.700 131.159 -77.501 88.753 53.939 120.269 -48.266 87.567 48.883 75.168 -68.662 88.446 51.784 109.439 -64.336 88.232 49.779 136.198 -70.442 88.583 57.859 149.099-148.672 88.429 60.231 118.950-119.488 92.418 88.271 124.446 -66.649 95.611 23.923 96.073 -95.825 110.787-178.649 105.560 -85.579 125.886 173.085 143.486-135.733 106.834 -5.630 142.997-148.829 102.028-177.726 142.918 -94.466 136.895 157.668 151.490 43.013 107.872 104.823 142.628 6.919 122.319 1.418 115.923 -64.699 131.003-113.223 117.262 -88.510 94.160 61.660 0.000 0.000 91.762 75.905 121.537 -78.703 88.991 60.179 111.258 -75.336 88.482 64.692 106.772 -99.730 89.955 80.191 104.319 -78.371 92.219 76.357 160.240-123.824 94.844 71.607 130.884-136.452 127.112-115.639 110.247 -81.817 94.501 52.638 148.530 -24.276 112.459-173.777 124.300-137.814 139.871-162.335 156.265 -12.731 91.426 51.189 100.922 -49.879 89.767 55.568 118.281 -77.471 89.743 45.767 129.154 -76.007 87.062 47.715 104.266 -84.622 88.130 49.566 133.809-112.632 87.414 49.628 141.974-114.308 88.073 44.650 128.633 -75.279 87.370 48.454 100.265 -46.216 89.378 49.561 127.804 -77.100 88.067 53.112 126.831-114.323 87.174 59.684 103.449 -68.115 88.989 73.645 143.462-114.479 90.278 70.557 136.564-131.638 93.935 74.218 100.434 -83.541 91.918 0.000 128.368 -76.045 # 38 total E -9.66239E+01 rmsd from N 0.000 %NC 0.00 1 92.035 59.961 137.167-101.374 132.665 178.080 124.242 48.832 102.650 -4.322 105.806 -78.847 110.645 -96.152 146.414 -90.794 119.636-121.172 147.929-161.676 96.750 37.241 147.050-136.019 92.692 49.236 84.803 -89.368 92.756 80.450 159.963 -86.749 91.266 82.592 142.999-111.433 90.788 98.468 87.647 -83.488 135.262-132.562 148.515-101.970 92.605 64.784 98.595-104.285 94.173 73.516 110.828 -73.506 92.275 98.224 156.427-147.608 93.872 34.552 130.368-145.784 99.925-154.480 145.128 -92.096 94.013 56.321 149.401-179.379 91.847 71.944 138.203-101.944 95.387 84.405 96.986 -71.264 126.178 173.306 163.344 -9.485 94.782 73.896 0.000 0.000 93.015 60.576 121.627 -73.761 91.321 49.879 131.587 -91.268 90.350 50.768 114.457-118.084 90.233 70.561 108.956 -76.133 92.174 75.153 152.315 -32.394 93.497 64.821 132.401-131.247 124.126 -9.294 112.384 -88.158 119.026-126.787 152.393 -20.335 93.255 74.283 100.070-110.758 89.990 50.381 114.272 -76.844 90.140 60.909 114.642 -51.531 89.402 49.152 109.660 -74.487 89.641 44.380 128.359 -75.284 87.728 45.766 104.195 -81.709 88.473 50.307 142.919 -98.560 87.597 46.408 135.997-159.313 88.729 43.563 129.045 -75.413 88.002 51.280 116.297 -43.673 88.821 51.383 127.815 -75.777 88.012 51.471 127.568-106.653 88.467 59.293 104.634 -63.118 89.883 78.365 142.045 -99.840 90.474 67.445 134.021-172.894 93.291 81.773 98.982 -83.252 91.929 0.000 127.707 -76.115 # 39 total E -8.69171E+01 rmsd from N 0.000 %NC 0.00 1 92.152 -30.160 123.687 -78.242 123.887-145.609 144.780 -30.818 93.331 49.257 143.502-140.783 90.706 55.777 131.635 -78.062 89.545 51.894 131.343 -49.112 87.551 52.032 141.043 171.500 87.079 56.448 107.037 -61.609 87.775 62.899 140.109 -84.532 89.174 70.959 150.090 -94.845 90.279 63.554 118.958 -34.948 93.612 153.126 124.733-101.487 94.835 8.874 131.431-157.704 105.299-121.353 148.712 -9.995 114.754 -1.041 162.585-159.195 96.227 174.628 132.875 167.472 130.045-108.606 135.070-124.686 92.762 52.949 137.007 -87.780 93.464 86.187 135.360 -90.717 133.047 178.700 165.176 145.454 111.991 16.025 149.613-149.752 123.427-174.293 0.000 0.000 133.804-100.283 176.416 143.926 139.250-105.002 130.869 -94.096 91.675 69.194 132.304-152.332 92.185 107.237 115.978 -71.829 92.815 54.128 129.851-104.034 94.951-175.403 124.821-131.741 134.562-155.440 168.756-176.031 115.451 89.401 148.428 -19.516 135.709-177.219 106.255 -95.223 92.584 45.846 115.044 -76.597 90.891 49.048 122.308 -44.469 88.512 49.986 121.666 18.966 89.409 46.096 128.529 -76.513 86.437 46.588 106.148 -83.229 87.696 50.712 143.355-126.475 87.288 49.071 136.987 -55.163 87.811 46.655 128.004 -75.130 86.779 51.305 103.487 -44.476 89.150 49.598 124.323 -73.159 88.472 47.946 130.861-107.619 88.997 52.493 102.900 -65.091 90.078 63.528 139.808 -91.761 90.879 67.812 129.062-152.997 94.590 64.209 99.798 -82.708 91.939 0.000 129.171 -76.329 # 40 total E -8.43893E+01 rmsd from N 0.000 %NC 0.00 1 92.119 -16.109 130.883 -95.357 126.001-143.329 142.805 -39.319 93.420 49.501 109.876 -78.996 90.586 57.458 132.094 -78.577 88.254 56.800 121.023 -40.438 87.217 48.301 75.604 -66.708 87.764 49.565 104.547 -66.723 87.613 52.901 141.921 -73.695 87.781 57.037 153.460-162.312 86.097 57.470 117.957-124.005 91.674 87.846 133.130 -66.156 92.700 68.327 100.067 -88.461 98.152 169.754 98.137 -94.506 122.189 173.811 147.708-153.336 110.213 -3.545 146.151-149.989 104.625-177.883 150.787 -99.833 136.923 137.018 149.352 89.896 103.459 103.244 146.644 5.307 120.321 2.622 99.894 -73.138 138.736-110.643 112.390 -82.521 92.635 63.764 0.000 0.000 90.779 68.067 138.389-101.661 87.666 55.593 116.546 -69.870 88.575 52.311 118.234-114.890 89.003 53.951 104.749 -72.549 91.492 65.504 158.787-161.226 93.625 64.402 137.145-136.476 97.467-108.897 106.894 -85.743 97.264 152.078 146.873-124.525 95.436 111.361 100.875 -90.739 130.962-154.022 142.229 17.850 129.709-137.329 132.746-149.429 122.617 94.939 144.170 13.650 90.815 -10.643 128.040 -75.601 93.093 -76.480 105.959 -80.013 103.380-172.236 154.624 -29.999 132.106-144.866 152.230-136.052 147.461-153.591 145.485 -50.598 90.184 64.422 115.474 -34.874 90.724 101.115 130.260 -78.837 90.059 66.129 119.248-102.375 89.537 73.895 98.001 -80.182 91.180 71.918 142.073-117.886 92.748 86.183 143.180-145.134 95.076 60.820 102.041 -84.407 91.920 0.000 129.249 -76.177 # 41 total E -9.00773E+01 rmsd from N 0.000 %NC 0.00 1 123.041 -99.253 145.204 -9.101 130.765-122.491 132.589 -45.553 95.120 39.753 141.943-148.199 91.044 50.874 131.325 -77.018 92.018 49.417 160.050 16.317 89.976 44.832 115.937-118.030 88.814 48.343 107.459 -65.655 89.655 53.663 145.776 -92.093 90.675 66.918 155.561-110.275 89.976 80.908 117.762-142.251 118.949-143.984 137.726 -92.820 92.344 71.624 129.765-153.257 89.905 62.780 109.797 -75.048 90.299 76.249 145.227 -43.095 90.815 71.634 128.650-143.231 93.833 105.116 106.746-112.520 146.145 171.925 123.788 -74.669 92.215 -7.732 137.002-100.194 108.546-144.866 89.065 96.648 137.061-124.121 160.593 -14.560 95.340 44.444 0.000 0.000 90.207 54.551 109.988 -89.973 88.371 56.803 141.947-115.304 89.447 46.572 127.486-126.448 87.183 49.681 111.762 -74.136 88.021 61.212 143.294 -52.781 88.828 59.038 141.197-122.267 90.991 50.163 106.744 -89.619 96.910 77.850 115.888 -83.739 127.258 110.987 130.192-135.628 130.235-154.742 125.273 -79.056 128.877-140.897 129.171-155.107 122.825 94.705 120.979 -78.338 91.056 -10.835 127.886 -75.411 93.226 -76.313 105.149 -82.465 104.828-170.418 150.306 -24.137 127.991-150.446 150.561-140.329 144.155-159.676 144.652 -60.830 91.697 76.976 121.378 -13.195 91.531 71.043 128.674 -76.503 89.756 55.163 127.021 -89.755 92.306 92.524 124.256 -79.077 91.627 74.643 147.449-157.223 92.410 83.649 139.017-145.402 95.755 49.221 97.969 -79.558 91.913 0.000 130.435 -76.181 # 42 total E -1.01448E+02 rmsd from N 0.000 %NC 0.00 1 92.213 -42.817 120.463 -69.040 127.116-117.743 133.598 -23.584 93.601 45.804 140.868-157.611 90.557 52.736 129.251 -76.077 88.650 58.284 136.175-110.385 88.456 48.233 118.979-140.277 88.384 51.069 106.109 -73.152 88.789 70.755 142.103 -81.034 91.571 78.326 145.806-122.998 92.037 97.618 102.246 -73.015 131.185-118.169 142.389-105.153 93.603 60.758 98.207-101.531 94.082 69.178 106.935 -76.515 93.221 106.736 149.441-167.267 93.241 38.690 134.975-147.376 99.473-163.184 144.916 -93.885 93.930 59.538 157.078 176.834 91.807 68.609 137.882-101.493 95.241 97.441 92.702 -70.813 134.457 174.784 155.968 -15.951 97.022 72.961 0.000 0.000 94.793 46.000 121.815 -71.850 92.084 50.787 139.785 -95.362 90.728 48.039 117.806-120.976 89.559 72.936 112.838 -75.931 91.732 76.113 151.625 -45.986 93.297 63.821 133.292-121.457 124.320 -9.623 111.959 -88.588 118.442-127.040 152.283 -20.408 93.338 74.299 99.933-110.908 90.136 49.971 114.293 -76.869 90.191 60.229 112.871 -51.067 89.209 49.694 112.277 -74.527 89.554 44.461 128.338 -75.290 87.581 45.614 104.071 -81.766 88.339 50.640 141.996 -98.480 87.534 46.819 136.438-163.425 88.599 43.545 129.065 -75.410 88.286 50.200 110.837 -42.965 89.061 50.439 129.043 -76.610 88.389 51.213 127.327-106.111 88.663 59.192 106.750 -68.141 89.845 73.979 140.875-116.358 90.911 70.230 134.738-163.289 93.961 78.392 100.028 -83.055 91.902 0.000 128.094 -75.810 # 43 total E -8.99952E+01 rmsd from N 0.000 %NC 0.00 1 120.900 -90.558 152.466 -33.831 127.726-133.443 144.111 -47.308 92.952 44.336 140.866-152.663 90.561 54.298 130.933 -77.130 90.337 50.432 142.550 -44.539 90.977 41.026 113.540-128.310 90.053 48.133 106.183 -68.782 88.976 59.055 136.250-102.701 88.557 66.588 141.076 -95.823 88.389 83.935 117.404-140.870 93.339-171.245 117.607 -82.988 93.623 73.651 128.294-151.052 93.466 42.744 99.145 -84.846 93.153 88.803 146.485 -14.104 90.988 74.106 129.137-165.503 92.614 54.608 103.269-127.366 101.575 155.629 136.564-116.051 135.787-148.598 152.980 34.583 116.157 -80.797 143.871 -88.910 94.868 -5.900 104.790 -83.206 96.776 81.846 0.000 0.000 140.781-149.066 162.284 137.981 132.492-120.171 155.401 -63.433 90.777 54.302 131.632-159.789 89.640 75.273 114.891 -77.677 91.306 78.425 147.227 -31.681 91.404 91.926 118.493-153.484 94.126 -87.707 102.594 -89.903 113.195 162.150 110.928 -77.838 96.760 79.080 121.156-139.606 142.159 175.870 155.552-118.389 92.697 0.476 135.553-106.253 108.161-176.044 117.357 -76.728 142.514-173.554 127.276 -44.234 92.446 52.924 105.589 -81.279 91.876 52.004 147.036-103.279 88.866 53.043 147.915 172.542 87.827 56.106 128.894 -75.498 86.360 57.267 134.655 -68.495 88.673 48.650 125.901 -72.614 89.267 45.135 130.682 -95.041 90.145 55.799 111.348 -66.555 90.108 63.909 142.005-119.789 91.343 70.580 132.161-150.417 94.699 64.125 100.761 -83.038 91.932 0.000 129.183 -76.276 # 44 total E -1.03364E+02 rmsd from N 0.000 %NC 0.00 1 92.241 -44.126 125.318 -83.323 123.814-132.356 137.022 -34.966 94.910 43.376 141.775-153.861 91.178 51.239 131.057 -77.784 89.354 57.834 129.122 -48.870 87.783 51.761 121.563-131.549 87.812 49.922 108.480 -75.369 87.924 55.429 136.042 -81.614 89.586 71.646 142.946-116.193 88.481 87.047 115.473-140.787 92.763-147.811 130.249 -96.392 93.788 75.004 129.796-152.857 90.283 52.369 102.457 -89.356 91.167 90.086 142.654 -77.767 91.128 74.255 128.458-171.207 92.503 102.544 107.158-118.727 141.029-169.292 136.454 -80.826 92.681 -4.104 137.335-101.447 118.108-154.490 84.439 87.446 124.221-127.515 147.717 -17.870 97.237 45.419 0.000 0.000 92.637 49.559 113.345 -73.470 91.868 52.774 134.672-102.335 90.368 46.017 120.665-128.605 89.276 60.026 112.612 -76.561 91.602 63.217 147.090 -40.655 93.533 59.107 135.653-122.257 98.051 -3.251 143.253-131.511 126.849-153.689 115.233 -78.626 93.871 78.487 136.983-164.497 88.849 50.067 114.278 -75.949 90.260 88.306 102.656 -56.077 90.716 60.128 115.858 -76.370 89.848 44.538 128.521 -75.211 87.949 47.006 102.430 -81.603 88.332 53.039 146.753 -92.756 86.972 47.109 135.241-159.711 88.364 44.189 129.105 -75.454 88.158 50.320 110.496 -43.414 88.606 50.325 128.377 -76.757 87.048 51.182 126.482-110.662 87.268 60.560 101.565 -59.229 88.927 68.826 135.474 -58.177 90.559 70.633 138.780-140.673 94.588 66.356 99.436 -84.544 91.934 0.000 129.049 -76.312 # 45 total E -8.72881E+01 rmsd from N 0.000 %NC 0.00 1 121.374 -91.020 156.741 -95.760 128.482-133.982 139.413 -44.748 94.115 46.831 140.611-166.567 90.506 53.082 132.154 -78.716 88.193 61.771 123.504 -42.644 86.527 53.449 126.686-141.184 87.077 49.112 97.484 -71.543 88.281 62.429 137.796 -77.419 89.549 67.391 150.937-119.230 88.873 120.332 110.582-143.257 103.825 176.324 115.395-102.017 95.494 12.160 127.337-149.357 114.894-160.396 107.064 -81.572 128.113-178.782 142.163 -99.935 98.254 8.353 137.092-147.876 111.504 177.722 153.266 -95.431 130.117 74.911 134.469 11.840 94.029 156.013 152.677 104.055 97.936 -4.438 107.943-118.680 106.371 -73.660 108.274 -81.508 136.940-145.092 0.000 0.000 128.164-116.974 171.976 148.170 113.207 6.200 143.662 -98.395 92.648 75.186 112.299-118.552 94.629 75.670 116.971 -76.778 93.392 96.829 141.971-129.847 94.805 -7.704 135.540-139.297 104.778-118.124 151.425 -24.421 128.766-105.174 166.974-177.701 124.906 175.691 121.595-127.825 96.974 -7.897 115.670 -77.644 120.685 173.925 124.687 46.514 152.727 167.791 132.691 -85.679 91.073 62.664 128.948 -75.843 89.104 58.952 104.860 -82.292 89.027 53.545 147.307 -18.345 88.865 45.111 138.462-106.825 89.273 44.593 128.498 -75.317 87.395 55.301 118.277 -39.161 88.359 52.086 126.469 -76.793 87.429 52.544 127.775 -94.375 88.581 66.963 112.558 -68.110 89.676 72.204 145.763-139.822 91.340 69.874 139.762-135.383 94.162 69.237 140.521-122.483 91.935 0.000 128.874 -76.298 # 46 total E -8.35707E+01 rmsd from N 0.000 %NC 0.00 1 92.223 -41.841 125.990 -86.076 124.681-129.154 136.296 -35.438 95.096 41.449 108.102 -81.687 91.183 53.929 132.135 -78.818 88.892 57.070 132.526 -49.513 87.248 52.372 119.994-134.486 87.558 49.988 100.669 -67.587 87.715 56.925 136.738 -80.767 88.620 69.805 143.623-126.231 87.754 89.700 115.209-141.817 91.875-148.750 138.522 -88.550 93.696 73.687 130.429-153.909 89.829 56.484 102.307 -80.905 91.348 90.901 144.485 -82.989 91.108 72.687 127.703-171.252 92.767 102.693 107.349-118.558 141.676-171.806 139.100 -80.006 92.863 -4.231 137.360-101.499 119.244-154.079 86.717 86.517 125.794-129.503 150.161 -16.734 96.771 46.813 0.000 0.000 92.120 52.398 113.615 -72.722 89.722 53.563 135.641-107.029 89.994 46.970 121.473-128.250 88.822 53.460 106.721 -71.999 90.906 68.570 151.369 -39.483 90.777 66.135 138.190-126.103 92.922 91.804 106.474 -88.902 134.185-170.596 152.588 -20.260 120.359 5.529 122.829-131.279 116.413 5.012 119.478 -79.116 115.761-157.869 149.462-131.506 133.659 -99.212 124.915 -80.526 127.861 -95.044 139.635 -76.490 114.791-152.876 159.414-165.166 145.593-117.071 162.286 153.452 137.688-158.005 162.310 1.472 127.668-139.044 161.132 -82.416 122.407 92.019 132.899 152.345 91.150 -4.989 128.150 -75.883 94.684 -82.171 124.738 -84.839 98.342-173.588 127.636 -71.205 132.100-138.536 151.734-139.850 132.161-159.428 146.637 5.299 128.602-153.168 120.216 -91.300 92.341 0.000 129.422 -76.151 # 47 total E -9.12860E+01 rmsd from N 0.000 %NC 0.00 1 122.963-105.978 147.219 -23.742 131.950-119.502 136.505 -24.796 93.849 48.032 142.112-149.794 90.825 52.883 129.678 -75.835 89.715 49.207 135.771-109.700 90.291 46.903 113.187-126.338 89.777 48.802 108.219 -64.018 89.440 50.233 134.887 -91.654 89.034 69.710 137.172-110.862 90.599 66.593 121.957-133.680 92.534 147.040 142.706 -25.830 92.999 82.001 130.992-157.248 101.979-173.070 125.584-121.446 119.579-140.636 138.444-166.191 97.094 -2.965 140.710-142.718 121.899 177.973 154.235-116.568 129.388 159.419 154.796 -78.418 92.817 -9.783 137.135-100.047 110.195-110.129 75.013 65.200 122.831-143.172 155.050 -37.641 94.058 51.584 0.000 0.000 91.065 54.506 119.912 -80.023 90.894 49.227 149.429-102.203 91.503 42.164 120.532-116.648 92.174 47.095 111.968 -74.746 90.518 49.839 134.939-112.011 91.376 51.515 142.542-140.934 92.662 44.783 141.874-124.347 96.812 76.990 113.151 -96.938 119.223-174.918 132.663-146.989 96.322 -5.988 116.163 -77.448 121.939 164.908 122.292 34.128 136.273-178.768 120.314 -82.616 92.635 52.101 129.200 -75.829 91.026 51.130 105.521 -78.773 89.846 52.669 160.615-178.704 88.010 45.684 132.305-123.153 89.031 46.715 128.769 -75.469 87.628 50.196 106.569 -31.338 88.705 49.065 126.383 -75.701 88.473 47.059 131.291 -92.519 89.357 53.580 111.530 -65.543 89.981 68.891 149.905-157.030 90.498 70.146 138.637-140.244 94.107 62.884 99.856 -83.134 91.918 0.000 129.503 -76.155 # 48 total E -9.92787E+01 rmsd from N 0.000 %NC 0.00 1 92.180 -38.519 117.517 -62.216 125.584-127.558 135.155 -50.642 93.194 43.465 140.468-156.649 90.412 54.414 130.507 -77.108 91.237 52.371 163.435 -8.960 90.184 46.027 114.825-130.672 89.318 49.756 101.839-131.920 89.335 58.458 140.695 -74.379 89.095 67.127 139.489-109.589 89.620 96.344 116.010-142.357 94.617 165.177 129.343 -95.038 94.592 6.489 128.694-150.710 116.642-147.796 149.824 9.571 126.894-173.127 153.615-106.687 95.732 17.893 137.038-148.614 121.160-172.671 141.597 -65.377 92.297 61.210 156.229 -24.843 90.743 85.496 139.604-102.729 93.576 82.668 62.404 -80.007 130.202-169.122 176.444-169.595 91.352 59.756 0.000 0.000 92.065 51.598 117.435 -79.999 90.395 47.340 148.826-105.904 91.196 42.945 120.800-113.913 88.781 53.886 116.792 -73.267 89.039 54.879 148.258-142.526 91.333 50.634 132.683-108.603 93.699 18.443 140.918-129.302 122.783 89.268 104.396 -79.852 141.964 175.640 112.492 -96.461 93.918 32.512 115.330 -77.007 91.347 57.399 117.740 -38.637 87.449 62.228 130.126 22.877 88.021 56.413 128.606 -75.961 86.012 47.225 101.413 -79.719 88.713 48.001 132.645 30.688 87.672 50.421 138.596-122.559 88.523 46.686 128.620 -75.511 87.593 47.663 118.478 -13.727 88.964 47.526 127.745 -75.853 88.986 52.104 127.857-103.734 88.254 60.315 107.086 -54.677 89.000 72.428 143.089 -87.607 90.739 73.777 135.230-148.202 94.390 72.020 100.259 -84.484 91.908 0.000 128.582 -75.945 # 49 total E -9.62440E+01 rmsd from N 0.000 %NC 0.00 1 91.973 33.315 125.559 -73.977 135.502 172.978 128.079 -51.551 109.660 -9.753 106.768 -81.633 118.670-124.966 139.082 -69.709 92.530 54.999 153.775 140.535 90.688 47.716 96.624 -64.537 91.387 44.746 132.084-111.751 90.134 54.093 147.714 -65.139 89.456 67.379 149.573-171.129 87.767 81.832 124.668-128.314 93.039-153.443 123.510 -83.053 92.760 77.471 129.493-153.369 89.868 54.692 106.922 -80.803 90.830 73.560 145.355 -43.272 91.121 74.427 127.790-150.410 93.813 105.610 108.754-113.056 141.442 172.268 131.810 -75.047 92.296 1.545 137.259-101.200 108.625-160.656 90.859 81.641 132.623-120.316 143.377 -36.376 96.236 38.710 0.000 0.000 91.335 52.763 119.044 -74.237 90.302 48.454 160.141-145.068 90.463 48.060 125.431 -89.099 87.696 52.654 113.605 -74.005 88.413 52.000 145.168-108.071 91.152 53.352 136.895-105.012 93.398 23.814 110.039 -89.862 117.524 84.377 106.856 -78.460 140.769 172.778 115.329-100.883 93.607 31.263 115.203 -77.004 91.272 56.759 115.877 -27.614 88.008 56.157 133.873 20.635 88.495 47.687 128.748 -76.064 84.554 48.634 105.890 -80.905 88.032 53.076 157.825-129.962 86.735 48.541 147.487-114.990 87.115 46.196 128.403 -75.195 86.800 54.104 110.853 -38.769 88.382 49.722 128.014 -74.863 88.072 47.267 129.368-101.459 89.262 54.334 105.369 -61.428 89.857 62.063 140.971 -92.994 90.980 69.196 129.358-155.101 94.566 63.943 99.808 -82.997 91.931 0.000 129.160 -76.295 # 50 total E -9.63059E+01 rmsd from N 0.000 %NC 0.00 0 92.026 10.492 131.009 -82.705 136.235-134.461 144.205 -43.257 94.091 50.325 108.531 -81.173 90.460 55.609 130.782 -77.643 88.684 55.626 130.340 -52.104 87.401 55.125 130.904 146.336 86.994 50.450 100.392 -66.765 88.794 55.637 136.045 -81.388 90.318 75.861 147.891 -29.330 88.095 89.131 116.574-139.628 93.163-125.743 126.559-104.770 96.121 96.421 130.721-152.679 92.978 40.629 102.162 -77.200 93.252 74.191 165.934 172.097 94.376 76.221 128.886-143.733 94.941 13.135 111.585-122.986 118.192 173.537 152.734 -61.351 137.688 175.911 140.360 96.708 108.639 -14.174 102.900-104.536 93.993 -70.239 144.018 -25.705 101.994 -50.079 0.000 0.000 94.521 102.064 115.978 -77.360 92.051 46.610 135.631-100.781 91.385 68.627 118.283-112.193 92.386 74.971 112.918 -76.009 93.781 109.848 142.909-129.573 118.890-108.428 122.316-110.045 94.039 62.908 144.344-129.255 97.138 56.910 102.043 -79.393 140.195 177.372 99.994 -80.460 113.992 157.507 134.452 -0.609 93.911 -5.038 116.618 -94.678 108.861-161.491 111.937 -80.865 93.238 52.881 128.441 -75.160 94.355 41.445 104.897 -81.407 91.649 45.735 152.041 -30.936 89.810 48.165 138.804-100.045 89.466 45.365 128.179 -75.390 87.922 46.743 125.553-103.813 89.612 47.400 125.768 -75.516 88.708 49.670 129.673-108.783 88.187 52.331 102.070 -64.336 89.825 65.305 150.685 -96.664 90.537 65.784 132.442-150.998 94.486 67.179 100.036 -83.094 91.935 0.000 128.923 -76.318 # 51 total E -9.58049E+01 rmsd from N 0.000 %NC 0.00 0 124.519 -99.653 140.190 -2.480 128.106-124.965 137.885 -24.105 94.760 45.885 141.794-154.708 91.322 49.092 129.684 -75.495 89.855 47.624 140.025-128.201 90.074 43.416 119.220-117.758 89.592 47.822 112.543 -64.034 89.473 52.577 138.141 -73.442 90.627 58.574 138.851-133.395 94.226 93.342 115.967-131.949 149.394 166.739 175.855-164.123 92.409 67.396 130.097-153.697 94.937 95.419 111.006 -82.675 90.419 70.876 146.854 -30.514 91.991 81.156 137.359-141.643 95.142 107.758 118.687-114.138 139.271-173.228 133.966 -97.439 93.255 0.534 135.680 -94.017 118.573-170.311 103.296 33.812 122.252-152.480 165.208 -15.050 96.237 59.584 0.000 0.000 91.942 65.914 112.101 -78.613 89.554 68.867 128.326 -94.105 90.739 69.202 100.943 -83.761 90.626 89.958 116.861 -75.289 92.647 97.100 128.290 -98.825 93.476 27.704 132.194-138.072 96.192-159.734 101.049 -79.206 129.022 172.019 175.950-168.729 119.095-172.292 113.985-120.845 156.870-178.246 144.364 -90.449 92.220 24.587 114.139 -67.512 108.835-177.790 114.403 -73.707 90.964 68.272 128.705 -75.551 89.239 53.476 103.678 -81.814 89.820 44.958 151.480 -33.988 87.967 48.656 141.687-117.275 88.466 48.077 128.287 -75.294 86.641 48.177 105.895 -40.322 88.407 47.620 129.202 -77.229 88.687 49.664 130.493-100.771 88.420 54.754 106.377 -65.918 89.244 65.120 140.824-105.918 90.714 69.852 132.210-132.054 94.827 65.571 100.185 -83.296 91.925 0.000 129.068 -76.243 # 52 total E -9.34566E+01 rmsd from N 0.000 %NC 0.00 1 92.170 -37.265 115.946 -58.176 128.076-124.685 133.225 -28.048 95.755 36.574 139.508-160.554 90.902 55.572 131.701 -76.800 92.431 47.642 163.029 -2.031 90.688 45.058 114.429-121.923 89.943 49.276 101.122-131.337 90.373 52.963 143.051 -82.854 90.896 67.249 140.120-102.163 92.246 104.842 118.728-137.884 111.303-175.106 131.477 -99.834 93.742 75.295 101.569-102.922 91.357 63.613 136.046-140.596 91.049 71.558 140.234 -55.809 94.315 83.899 128.187-137.709 99.052 -1.843 109.669-115.143 101.757-151.725 144.037 -77.101 140.217-179.989 136.842 33.367 111.004-176.149 77.705 -63.789 94.961 92.481 140.277 18.350 95.796 45.122 0.000 0.000 94.571 49.026 146.219 -76.675 93.278 42.544 162.547-146.827 91.642 52.616 115.529 -79.161 90.242 70.218 112.304 -79.216 91.242 94.223 142.979-140.929 91.969 58.615 135.764-134.628 92.858 102.764 141.866-125.856 150.611-175.980 117.957 -84.762 94.344 10.446 100.616-113.391 112.855-173.052 130.623 23.494 140.190 -6.923 107.234-101.649 112.700-158.606 116.221 -81.819 92.377 53.559 128.838 -75.581 91.761 42.663 105.946 -83.121 90.380 51.228 146.649 -0.866 88.914 45.467 144.326-120.589 89.504 43.182 128.476 -75.344 88.682 48.247 117.519 -34.819 89.507 47.822 128.121 -76.283 89.481 47.034 128.516-102.834 89.498 52.369 105.534 -64.008 90.557 65.451 140.485 -94.268 90.732 66.485 129.921-170.679 94.255 69.511 99.697 -82.924 91.925 0.000 128.715 -76.175 # 53 total E -8.08260E+01 rmsd from N 0.000 %NC 0.00 1 126.970-104.214 132.623 -0.811 128.454-126.035 137.592 -43.475 94.172 43.396 139.355-177.725 90.410 51.859 128.853 -74.988 90.111 47.406 158.058 158.881 92.497 42.348 130.922-110.922 91.215 45.358 108.719 -67.423 89.667 56.471 136.081 -98.669 88.902 65.128 141.185-111.307 89.934 71.846 116.470-141.388 93.412 177.573 129.565 -75.432 94.010 78.658 128.802-152.984 92.573 61.343 98.988 -84.350 92.439 85.736 148.646 -31.490 93.747 86.821 133.158-132.022 94.585 15.021 105.923-124.661 116.912-167.946 153.976 -74.878 135.955 177.635 142.375 120.665 115.155 -6.271 99.139 -45.688 97.732 -71.008 140.639 -11.396 109.250 -25.601 0.000 0.000 97.090 113.003 173.917 172.326 92.555 79.297 142.035 -93.013 90.227 67.936 126.393-117.938 88.103 75.879 115.608 -80.402 91.118 105.525 143.347-102.705 93.170 66.499 133.559-132.927 92.005 99.448 109.516 -87.941 140.488-156.452 160.480 8.347 93.116 9.563 100.514-111.286 111.003-164.995 122.216 25.314 135.188-143.267 133.055-129.605 131.401 94.325 116.122 -76.246 91.309 -7.388 134.548 -80.168 93.466 -81.289 104.784 -77.259 110.457-172.223 150.623 -16.686 136.841-158.416 167.603-155.964 136.807-146.862 166.023 -85.068 116.328 92.483 146.735 -79.046 91.497 -6.327 127.877 -75.524 94.811 -81.270 128.574 -85.459 98.503-174.123 125.786 -74.333 135.957-156.810 155.904-150.996 141.207-157.359 116.432 -88.285 127.005-157.030 150.401 -17.943 92.331 0.000 129.617 -76.187 # 54 total E -9.82143E+01 rmsd from N 0.000 %NC 0.00 1 124.456-104.438 141.047 -5.988 133.157-118.020 124.466 -7.291 94.696 41.962 143.404-154.850 91.026 52.123 130.028 -75.661 89.947 43.532 127.853-134.561 93.057 44.649 114.529-116.911 90.593 47.335 109.406 -62.962 89.259 53.335 127.227 -97.816 89.332 65.571 137.546-137.815 90.715 83.436 116.410-133.896 94.407-153.259 140.499 -75.843 93.052 66.608 130.127-154.071 88.602 55.194 106.244 -77.675 90.391 82.098 136.531 -42.251 87.537 61.263 130.412-161.650 88.498 60.756 101.543-110.391 91.389 99.460 140.763 -82.797 91.236 66.900 130.153 157.024 91.244 104.520 138.932-139.915 151.502-125.163 113.129 -87.476 95.196 60.402 0.000 0.000 93.767 40.524 117.742 -74.979 93.649 48.372 168.175 130.293 91.547 40.576 124.552 -86.613 90.774 49.895 115.703 -75.506 90.497 54.884 145.824 -46.529 91.618 62.483 145.541-134.485 92.685 58.725 140.832-124.711 123.166-114.557 102.572 -78.810 113.194-167.692 123.745-136.266 139.354 174.927 132.172 -83.355 92.935 7.147 135.320-100.821 109.265-153.922 117.650 -75.659 138.730-114.834 144.766 -90.928 91.715 49.790 101.518 -81.633 90.056 70.930 149.318 -16.142 89.181 48.328 135.388 -63.308 89.872 41.857 128.476 -75.326 89.080 51.142 117.717 -22.801 88.904 51.124 129.579 -77.539 87.673 51.560 128.052-100.226 88.313 60.565 107.116 -56.816 89.341 69.010 143.154 -95.117 90.901 71.499 138.235-139.846 94.705 66.212 100.122 -84.131 91.929 0.000 129.077 -76.255 # 55 total E -9.55136E+01 rmsd from N 0.000 %NC 0.00 1 91.993 14.501 126.777 -70.752 142.240-167.752 134.431 47.411 94.335 11.474 107.806 -80.412 114.956-170.410 146.495 -79.037 128.714 173.355 154.556-136.444 105.471 -2.544 151.548-179.857 98.388-134.256 126.231 -89.941 90.697 66.003 144.010 -57.517 90.832 75.739 149.913-167.359 90.982 99.853 95.907 -74.958 114.879-138.782 144.760-109.507 92.850 69.859 103.385-106.634 90.551 61.951 103.593 -81.629 91.210 86.579 155.012-122.799 90.107 71.468 132.754-151.594 93.916 105.396 106.595-117.131 143.809 164.889 139.958 -84.397 92.595 -6.809 137.203-101.233 107.051-119.364 75.052 68.407 134.855-172.567 161.378 -8.631 94.849 64.228 0.000 0.000 92.065 49.383 126.502 -96.091 90.215 50.451 144.491-114.692 90.594 50.926 123.338-118.674 88.663 62.305 112.248 -74.470 89.532 72.233 147.818 -93.787 91.672 61.150 134.079-109.838 93.907 17.148 140.717-129.709 122.941 85.865 107.280 -80.122 139.690 176.655 113.157 -98.481 94.386 32.910 115.379 -77.006 91.434 54.162 111.760 -16.498 88.741 54.177 126.348 43.631 89.322 47.052 128.726 -75.995 86.279 45.540 106.352 -80.518 89.000 50.179 163.551-168.690 87.875 49.683 143.832 -86.709 88.015 44.304 128.340 -75.303 87.476 50.961 102.531 -38.878 88.959 49.623 129.283 -77.222 88.375 47.630 129.115-107.317 88.647 53.250 104.067 -65.538 89.807 64.575 143.559-102.023 90.858 69.724 128.882-147.453 94.560 64.212 100.211 -83.220 91.931 0.000 129.163 -76.296 # 56 total E -9.06060E+01 rmsd from N 0.000 %NC 0.00 1 123.179-105.971 146.347 -22.123 128.364-122.663 138.433 -24.640 92.962 51.166 141.882-149.621 90.743 54.631 130.625 -76.751 88.458 49.828 135.362-112.375 89.267 46.062 114.265-127.437 89.416 47.521 107.697 -60.462 88.847 55.126 136.895 -80.037 89.960 65.359 136.361-130.802 92.391 94.253 117.929-135.330 125.957-158.695 165.086-153.203 92.804 69.816 130.670-153.718 89.601 66.911 102.947 -82.204 91.113 89.516 125.975 -89.005 90.830 71.082 132.419-147.258 93.679 100.312 106.170-112.860 144.358-173.561 142.474 22.914 92.630 15.994 138.505 -96.828 118.967-165.783 118.060 -3.758 125.147 -68.815 156.425-126.392 112.601 -24.846 0.000 0.000 93.112 106.504 109.571 -85.682 90.096 75.564 144.284-101.096 89.996 66.197 96.062 -79.284 92.098 100.852 117.580 -80.267 93.807 35.991 144.805-110.504 96.900-177.249 128.513-123.701 140.375 167.166 169.302 177.610 93.600 84.741 146.946 -23.376 138.082-150.408 106.800 -93.514 89.551 76.916 115.266 -76.372 89.755 77.417 99.799 -39.232 88.041 63.252 117.794 -70.357 88.732 51.135 128.390 -75.177 86.125 50.845 103.926 -81.863 87.827 54.270 134.139 -85.507 87.263 60.593 136.311-151.423 88.286 65.821 128.600 -75.449 87.586 100.707 111.176 -72.156 90.933 75.570 126.605 -74.932 88.835 60.666 129.063 -75.697 90.204 82.776 108.304 -71.563 91.448 82.675 147.439-145.659 92.567 76.338 138.582-143.927 94.914 65.912 141.179-123.225 91.893 0.000 129.490 -75.812 # 57 total E -9.19466E+01 rmsd from N 0.000 %NC 0.00 1 92.092 -16.390 125.171 -79.184 121.536-165.780 145.763 -15.711 95.214 52.719 142.675-152.837 91.714 47.977 130.624 -77.720 91.559 53.690 137.190 84.559 91.050 49.954 118.105-125.044 90.478 52.706 109.091 -74.610 94.167 104.901 148.971 58.185 91.434 94.676 157.119-179.167 91.842 105.269 125.717 -36.638 108.515 -80.816 140.734-112.312 126.916 15.755 114.147-111.113 96.262 164.843 107.023 -81.227 133.447 58.655 133.795-125.787 123.358-178.718 145.131 166.065 125.141-107.170 145.801-107.103 94.570 22.741 139.122 -88.645 94.422 101.296 136.716 -91.662 140.332 176.919 110.614 -34.490 109.733 -3.701 143.963 -0.665 118.924-163.895 0.000 0.000 104.923 156.169 129.841-105.761 95.062 60.518 139.400-102.011 92.688 44.713 119.363-123.290 91.184 53.954 117.026 -75.288 90.435 65.242 140.153-133.938 91.828 64.744 134.560-125.283 93.461 22.535 105.613 -87.920 117.543 85.224 148.514 -21.362 134.567 173.629 123.394-120.609 94.858 29.310 115.283 -77.505 91.420 61.290 110.574 -23.455 88.385 64.851 142.871 -6.887 89.324 51.203 129.059 -75.970 86.347 47.340 103.765 -81.751 88.857 54.138 140.580 -95.794 87.854 53.061 141.930-122.754 88.210 44.254 128.439 -75.165 87.434 50.662 126.391 -93.349 89.005 53.170 127.017 -75.464 87.048 47.816 129.617-109.787 87.544 55.001 99.590 -63.911 89.722 72.242 141.862 -49.014 89.252 68.660 133.471-166.121 92.997 81.636 99.025 -84.375 91.902 0.000 127.525 -75.786 # 58 total E -8.57256E+01 rmsd from N 0.000 %NC 0.00 1 92.220 -41.430 124.676 -82.186 123.573-131.130 137.713 -41.179 94.023 45.004 141.510-154.331 90.855 52.733 129.824 -76.543 89.622 56.374 135.645 -50.767 87.469 47.750 117.798-133.519 87.675 49.540 106.496 -70.549 88.041 59.399 139.931 -65.701 88.807 69.928 147.003-123.902 88.150 82.841 115.310-142.038 93.262-166.061 123.984 -87.759 94.386 75.636 128.287-150.743 93.174 46.112 98.251 -82.673 92.882 83.848 164.146-118.907 93.486 81.754 127.436-156.239 93.889 34.583 109.445-129.835 117.397 175.485 147.676 -77.916 136.932 173.779 153.097 125.320 106.751 -14.539 87.100 -86.859 93.468 -67.798 95.967 -78.010 94.821 -60.857 0.000 0.000 120.842 121.107 131.285-109.858 139.892-134.607 144.507 63.205 118.535 -86.537 144.434-165.069 97.094 14.850 117.730 -77.451 126.948 171.038 159.980-133.228 131.732 174.514 128.605 130.374 95.643 9.966 143.984-131.963 109.324-159.133 153.704-135.137 94.852 102.772 102.998-101.030 89.448 42.324 114.471 -76.368 90.216 53.536 117.982 -47.748 89.316 47.941 115.690 -69.829 89.003 46.353 130.722 -76.527 86.252 47.997 105.753 -82.568 88.413 50.019 135.788 -95.165 87.489 46.439 138.396-126.441 88.663 47.150 128.782 -75.211 87.404 51.028 110.582 -46.265 88.936 48.668 126.848 -75.414 88.577 50.384 133.418 -69.210 88.843 57.787 111.299 -70.067 89.973 66.522 142.587-126.637 91.775 72.179 134.570-146.768 94.673 63.943 141.047-122.633 91.927 0.000 129.228 -76.256 # 59 total E -8.60325E+01 rmsd from N 0.000 %NC 0.00 1 92.152 -30.426 124.034 -79.163 124.583-130.924 137.336 -34.264 94.721 42.332 141.035-158.131 90.882 51.924 131.335 -77.827 89.276 56.080 140.686 -48.065 87.869 50.645 120.046-133.427 87.555 48.927 102.776 -67.668 88.274 58.045 135.520 -76.255 89.747 67.693 143.463-119.091 89.185 80.109 113.869-139.745 130.154-161.671 159.702-143.161 93.087 58.293 98.391 -98.512 110.436 162.806 100.443 -86.763 139.998-174.591 163.989-156.970 108.147 177.010 142.365-153.768 147.232 178.870 149.416-130.555 93.133 55.971 133.619 -87.344 116.649 128.184 130.378 -57.720 133.574 143.855 153.828 82.589 107.038 33.887 150.410 1.070 96.618-179.747 0.000 0.000 130.883 -90.484 116.255 -96.615 132.253 -98.264 139.407 -79.545 92.328 51.753 127.038-139.139 89.891 48.856 109.414 -77.346 90.060 57.027 145.256-113.009 89.937 52.712 142.839-129.465 91.931 44.769 106.457 -86.261 97.154 73.951 145.950 -29.103 127.291 150.743 127.065-131.787 95.992 34.568 115.044 -77.051 93.419 49.165 126.723 -56.581 91.649 45.356 120.159 -69.471 89.689 47.433 129.260 -77.060 86.305 46.333 105.899 -83.756 88.211 47.829 135.766-110.378 87.863 48.597 144.773 -39.528 88.352 45.852 127.819 -75.050 87.597 48.420 107.713 -47.384 89.116 48.979 127.092 -75.184 88.916 48.345 131.225 -96.143 89.224 55.283 108.116 -70.977 90.014 65.475 141.719-120.855 91.208 70.904 133.110-147.379 94.738 64.315 100.932 -82.940 91.929 0.000 129.204 -76.272 # 60 total E -8.73237E+01 rmsd from N 0.000 %NC 0.00 1 92.324 -55.953 123.548 -72.318 125.550-133.935 138.311 -38.146 94.635 44.328 142.199-149.586 91.289 51.123 132.251 -78.810 89.729 56.871 131.161 -42.500 87.509 49.836 120.170-128.764 87.489 49.766 101.864 -68.048 88.947 57.116 139.224 -80.527 89.256 66.199 144.906-110.162 88.895 107.069 113.765-143.186 109.234-169.657 125.456 -92.623 92.394 89.140 104.849-110.368 92.230 55.245 102.537 -81.132 92.209 70.805 151.327-111.307 94.667 103.682 127.742-138.998 130.769-115.437 130.750-115.343 95.883 -1.843 136.566 -85.797 113.642 164.745 122.890 55.446 120.355 -89.164 113.428 -51.945 94.292 11.439 143.705-133.905 120.542 178.683 0.000 0.000 135.555-119.529 176.423 153.843 93.417 41.164 142.273 -98.862 91.721 59.320 99.547 -97.085 91.289 70.053 112.693 -73.956 91.232 65.861 140.559 -98.005 92.642 60.077 132.715-135.068 94.648 114.116 107.922 -87.330 140.977-168.858 158.427 1.096 93.843 16.868 99.595-110.340 113.379-167.494 118.383 -79.278 139.551 -86.077 151.474 -72.794 123.700-155.226 111.825 -82.668 93.576 50.554 129.455 -75.968 93.639 41.196 104.843 -80.107 91.352 49.953 176.456-159.307 91.028 42.534 134.140 -93.577 91.093 40.143 128.053 -74.752 90.607 45.745 125.218 -57.981 91.271 47.191 125.576 -76.230 91.924 41.004 133.979 -86.148 91.721 48.578 135.762 -92.110 91.435 58.970 140.627-118.057 92.536 60.023 131.802-154.471 94.199 65.684 112.470 -86.492 91.952 0.000 128.877 -76.508 # 61 total E -8.38230E+01 rmsd from N 0.000 %NC 0.00 1 91.971 44.127 125.903 -73.618 140.790 176.949 125.555 -39.490 101.287 -3.035 108.674 -80.740 113.950-169.815 151.310 -94.596 132.307 166.958 156.414 0.421 124.358 -0.905 143.936-175.654 103.262-103.664 97.917 -81.600 132.901 159.622 137.995 -95.032 94.116 17.972 152.892 -31.803 108.013-137.794 91.769 -74.782 121.591 178.069 139.344 -84.522 93.782 84.026 109.480-114.030 107.462 140.776 102.111 -87.321 132.538 102.405 175.804 1.337 99.287 104.275 110.230 -86.427 123.213 -97.860 136.198-130.738 130.716-106.032 156.906 -82.288 141.057-149.844 140.966 -1.349 116.340 -84.415 131.995 -99.811 95.023 2.380 109.294 -81.665 98.808 65.827 0.000 0.000 143.189-143.166 147.436 85.791 122.672-117.234 165.347-156.163 91.488 51.562 134.307-129.225 91.427 75.098 112.018 -76.990 93.478 97.001 153.611-155.716 92.312 46.334 127.093-149.398 94.253 154.781 109.327 -84.663 133.795-162.498 158.422 -5.372 126.777 9.127 115.996-118.178 122.180 -8.132 117.032 -82.764 110.302-154.656 142.069 2.930 92.512 51.040 119.772 39.862 90.560 48.681 128.592 -75.825 88.374 43.984 105.889 -75.138 89.002 49.712 159.330 -31.721 88.036 47.595 149.673 -30.213 88.790 43.092 127.744 -75.205 87.806 49.442 107.180 -31.309 89.120 50.181 128.111 -78.470 87.224 51.621 129.749 -99.159 87.579 58.899 105.135 -60.388 88.966 66.451 149.459 -94.853 90.678 72.232 132.890-136.367 94.659 64.559 100.359 -84.368 91.930 0.000 129.155 -76.276 # 62 total E -9.66683E+01 rmsd from N 0.000 %NC 0.00 1 92.151 -33.748 116.690 -59.881 125.598-126.939 135.575 -49.667 93.514 42.351 140.503-156.412 90.452 53.378 131.187 -77.723 90.175 51.920 165.621 3.034 89.182 48.232 115.905-130.240 88.276 47.036 103.488-136.865 88.227 58.851 142.663 -69.531 89.527 69.346 148.882-123.770 87.459 81.635 116.138-143.327 93.519-147.694 122.023 -85.334 92.450 74.099 128.636-152.249 89.364 51.353 107.663 -81.348 90.017 62.406 146.512 -30.699 88.418 48.197 124.668-138.071 88.225 54.091 154.961 177.354 89.282 72.551 133.776-125.132 90.149 71.649 149.941-160.687 91.886 99.900 134.600-121.918 142.585-112.751 113.694 -86.522 96.213 55.203 0.000 0.000 92.898 45.473 120.173 -73.337 92.741 48.457 168.614-162.463 90.833 41.859 123.828 -85.947 89.362 49.213 114.719 -76.935 89.429 52.469 142.332-134.176 90.327 50.001 139.609-127.686 92.877 45.105 141.015-125.952 97.656 78.650 115.248 -85.667 127.156 160.293 131.916-137.896 93.808 -5.889 115.099 -76.863 106.914 174.254 144.555-126.959 140.582 178.862 128.079 -79.561 91.737 67.723 129.444 -76.168 90.542 52.832 102.128 -79.914 89.919 47.901 146.062 -31.654 88.549 48.513 148.038 -34.148 88.629 46.240 127.618 -75.038 87.229 49.482 109.730 -28.319 88.298 49.412 128.698 -76.615 87.614 49.812 131.011-101.631 88.138 54.491 105.747 -58.758 89.031 63.274 141.636 -89.402 90.544 68.673 130.646-145.927 94.507 64.843 99.482 -83.384 91.934 0.000 129.094 -76.328 # 63 total E -9.73248E+01 rmsd from N 0.000 %NC 0.00 1 123.823-103.739 143.292 -10.172 130.040-121.564 134.487 -19.756 95.513 48.331 143.047-149.370 91.613 48.360 130.343 -77.217 89.105 53.373 130.176-113.009 88.120 53.983 120.565-124.005 87.776 47.127 115.363 -71.107 89.881 51.511 148.241 50.868 89.044 68.067 139.782-125.303 91.638 63.480 117.140-132.928 92.584 153.770 151.660-110.327 94.405 50.081 130.709-155.758 102.990-179.900 103.382 -83.313 127.858-111.917 155.247-133.164 92.287 48.859 107.450 -90.862 94.452 96.430 108.850-105.200 146.254 155.043 141.373 -57.110 92.840 -11.068 137.175-101.236 107.678-123.965 78.142 54.712 131.161-172.476 162.019 -29.063 95.573 56.848 0.000 0.000 92.357 46.583 111.338 -75.746 92.441 52.433 162.967-143.923 89.644 45.155 127.476 -93.680 88.580 53.762 112.433 -74.070 90.217 57.381 142.984 -41.160 91.556 59.866 133.691-139.303 93.351 99.058 141.149-123.546 146.832-173.711 121.615 -85.899 94.617 19.797 99.933-108.239 118.367-161.530 119.803 -80.534 131.471 -85.065 131.022 -45.734 127.415-134.459 114.373 -78.101 91.523 61.192 129.373 -76.110 90.155 52.304 104.362 -81.384 90.199 45.188 152.264 -31.592 89.456 48.715 148.298 168.671 88.527 51.654 128.613 -75.330 86.822 56.052 113.445 -50.353 88.606 49.257 125.552 -72.721 88.894 46.920 128.421-102.438 89.737 56.282 106.226 -65.890 90.025 65.105 140.879-108.518 90.850 67.116 131.958-152.734 94.435 66.632 99.965 -82.864 91.938 0.000 128.995 -76.351 # 64 total E -8.56566E+01 rmsd from N 0.000 %NC 0.00 1 92.026 54.993 135.537 -99.560 135.005-175.802 122.894 35.554 102.772 -3.143 109.525 -78.627 118.767-149.889 138.000 -79.645 127.066-109.162 143.694-146.359 95.924 31.443 97.124 -72.601 97.661 160.761 93.144 -85.682 154.579 111.923 131.605-101.823 92.717 76.309 157.178 -23.657 95.205 161.338 85.689 -85.028 129.411-117.345 156.976-137.736 91.766 55.210 99.568-114.144 91.691 79.329 96.376 -82.711 92.467 100.441 144.356 -88.702 92.579 90.385 127.278-149.385 100.460 -79.182 112.786-121.960 123.753-106.818 154.344 -86.414 145.540-178.503 158.083 121.901 106.645 -14.031 75.781 -63.937 94.970 -69.304 135.103 -38.502 96.685 -73.858 0.000 0.000 108.871 162.015 176.410 160.007 89.080 64.550 144.077-111.090 89.765 68.887 106.805 -89.860 88.208 70.457 115.850 -72.711 91.208 91.373 153.013-133.595 92.096 52.101 130.593-144.057 93.510 134.673 106.475 -82.376 150.148-115.181 127.463 -85.874 122.062 9.980 109.810-113.383 122.978 -10.253 116.319 -81.046 113.135-150.322 137.969 -37.041 93.458 45.171 124.432 43.005 90.313 52.317 128.805 -75.726 87.845 48.063 143.706 -24.701 88.933 46.639 141.372-129.574 88.378 46.548 152.274-169.814 88.677 45.791 128.567 -75.175 87.719 50.652 103.167 -42.257 89.042 48.874 129.286 -77.212 88.147 47.237 126.468-111.686 88.611 53.772 103.007 -64.758 89.764 63.849 144.042-100.377 90.965 68.685 133.745-153.207 94.596 64.445 100.105 -83.075 91.931 0.000 129.151 -76.306 # 65 total E -8.70406E+01 rmsd from N 0.000 %NC 0.00 1 92.038 59.217 137.387-102.690 131.803-179.776 132.979 -12.673 115.754 175.276 141.816 -30.000 94.236 15.322 130.107 -75.439 138.746 150.721 156.028 152.845 103.516 5.211 147.787 154.595 99.522-121.948 114.204 -61.317 94.027 48.588 120.990 -88.131 94.380 95.129 154.813 -23.783 94.600 79.812 101.221 -70.291 113.374-138.593 160.979-134.206 93.650 59.386 130.478-152.467 91.499 62.057 96.524 -82.835 92.777 112.276 138.540 -83.563 87.503 61.276 134.633-176.392 89.024 91.944 99.500-109.361 93.564 92.750 116.473 -61.765 91.120 59.712 140.059-141.926 94.182 105.971 137.123-139.581 142.114-177.276 176.423 172.165 93.848 55.756 0.000 0.000 91.754 57.381 107.870 -85.426 90.010 63.373 168.705-172.060 87.659 66.506 126.232 -83.242 88.333 72.884 101.333 -83.313 92.484 111.252 156.049-145.321 93.940 58.297 138.124-148.071 97.042-168.033 150.650 -24.595 139.090 -81.497 176.440 173.560 134.483 171.806 110.165-104.008 94.679 -5.248 115.099 -76.027 108.408 153.644 146.439-135.151 137.412 171.367 124.052 -80.493 92.608 56.226 128.770 -75.546 91.659 46.497 105.927 -82.551 90.091 54.208 145.271 -12.736 89.596 43.755 138.340-125.692 90.544 42.576 128.681 -75.368 89.615 48.000 123.258 -45.841 89.570 48.878 125.773 -75.310 88.931 45.338 129.040 -99.115 89.371 52.802 109.528 -69.253 90.676 63.550 148.102-139.409 91.180 69.380 133.540 177.402 93.739 75.625 141.499-116.815 91.887 0.000 128.045 -75.662 # 66 total E -9.47249E+01 rmsd from N 0.000 %NC 0.00 1 92.324 -54.583 125.245 -80.679 116.994-151.555 155.040-120.944 95.552 44.095 141.151-165.771 90.934 51.118 130.373 -75.594 91.146 48.200 163.479-174.765 90.159 43.794 126.645-102.387 89.209 46.208 102.604-132.456 90.886 56.764 153.828 49.849 88.920 69.124 149.113-146.620 90.517 92.150 114.777-140.702 93.341-155.402 142.525 -54.301 94.290 66.050 130.508-154.253 87.964 61.027 112.499 -74.152 90.221 84.422 132.500 -50.942 88.938 63.687 132.838-158.977 91.355 62.642 102.087-110.718 94.808 102.389 131.008 -79.447 148.229-179.554 156.118 167.382 100.640 -14.977 63.788 -68.125 95.961 -63.860 144.650-135.092 113.238 -87.715 0.000 0.000 91.943 71.352 136.818-102.119 93.861 67.798 133.690 -98.765 92.033 60.007 119.638-134.555 90.624 71.806 116.658 -74.901 92.269 86.370 141.337-135.093 92.739 65.975 134.106-139.251 94.738 98.395 142.813-126.616 144.458-178.243 119.931 -82.858 94.840 7.323 98.984-112.113 112.596-168.029 119.005 -78.846 143.871-150.493 131.154 -4.728 114.511-163.344 120.247 -76.486 138.692-145.740 152.840 -64.441 133.392-171.382 103.151 -88.633 115.223 -91.705 134.834-145.773 92.176 6.435 140.691 -38.192 93.928 72.717 129.220 -76.285 134.932-156.257 144.742-162.264 125.906-165.921 149.329 -83.320 140.494-142.787 159.882 -61.807 119.621-165.073 111.040 -61.261 140.923-172.281 159.943 169.942 131.371-171.906 155.541-177.753 128.577-168.578 111.394 -74.083 92.289 0.000 129.519 -76.163 # 67 total E -9.74150E+01 rmsd from N 0.000 %NC 0.00 0 92.043 5.334 127.292 -71.218 135.188-131.981 142.828 -25.531 94.100 51.257 141.429-156.136 90.953 50.893 129.277 -74.637 90.207 47.999 137.716-100.035 91.001 43.222 114.049-135.807 89.220 47.017 105.787-129.570 90.252 63.351 154.597 35.144 88.172 74.281 141.279-133.215 90.126 87.531 117.577-140.776 92.862-169.168 128.525 -62.114 95.002 68.849 129.190-151.339 93.331 43.504 105.520 -84.116 92.614 91.214 124.669 21.853 93.116 86.193 133.170-164.735 93.220 43.524 107.387-120.913 107.778 162.482 151.511 -58.987 137.873-156.838 135.303 30.730 114.121 -74.167 114.306-164.681 94.174 -14.485 99.636 -78.988 95.181 96.881 0.000 0.000 127.539-161.378 134.768-117.227 131.233-131.376 160.175 -72.074 91.643 46.105 112.566 -24.482 91.160 60.589 110.172 -73.591 91.881 70.428 145.655 -15.783 92.937 51.760 135.349-136.673 95.611 50.881 143.277-127.961 100.018 74.859 115.881 -85.482 139.884 166.823 119.238-105.788 94.848 29.239 115.303 -77.180 91.687 56.292 107.475 0.197 88.420 54.824 146.818 8.432 89.008 49.657 128.715 -76.011 85.131 46.954 112.657 -82.563 88.213 52.806 143.566 -12.845 87.009 48.050 144.619-131.617 88.500 43.577 128.589 -75.389 87.573 51.192 110.429 -27.286 88.744 51.369 129.927 -78.512 87.600 52.103 127.114-110.243 88.065 60.210 103.336 -57.475 89.298 68.135 134.955 -79.477 90.991 72.710 136.374-146.758 94.754 64.045 99.880 -84.280 91.919 0.000 129.244 -76.324 # 68 total E -9.56066E+01 rmsd from N 0.000 %NC 0.00 1 92.075 -16.675 120.979 -64.085 131.455-125.210 140.591 -34.734 93.566 47.223 107.729 -80.909 90.661 52.937 129.271 -76.124 88.689 52.673 148.338-116.845 88.558 47.041 116.548-140.365 88.592 47.474 108.253 -65.415 87.622 58.818 134.431 -74.728 88.421 70.784 144.960-140.173 88.272 89.381 118.967-136.507 92.523-154.168 134.017 -98.889 94.086 75.169 130.481-153.551 90.114 49.281 97.850 -81.184 91.916 87.162 126.844 -67.194 91.933 69.323 134.849-164.647 92.246 54.707 102.617-113.967 116.309 121.934 150.900 -48.495 140.678 176.530 152.120 131.198 107.322 -11.584 97.302 -56.394 95.554 -71.760 140.799 -53.849 105.182 -53.271 0.000 0.000 110.989 177.165 148.569-107.511 131.452-108.987 140.220 -84.322 91.534 54.763 138.219-179.999 89.214 69.729 111.739 -75.391 91.564 103.416 125.177 -51.541 93.963 64.391 146.525-133.003 94.927 47.465 143.246-128.960 99.555 72.473 110.009 -82.265 140.249 167.834 118.700-105.988 95.698 30.060 115.430 -77.206 92.680 54.167 116.773 -26.401 89.890 50.021 130.890 -11.873 88.949 48.479 128.737 -76.126 85.793 46.551 107.353 -81.394 88.424 47.854 153.577-162.556 86.831 49.826 149.791-114.135 87.056 51.261 128.330 -75.244 85.405 55.175 124.892 -44.781 88.237 50.385 126.584 -73.382 88.544 45.917 131.224 -96.995 89.967 53.529 107.692 -61.908 89.971 64.478 139.976 -98.231 91.214 69.392 128.378-157.044 94.668 64.488 100.067 -83.259 91.932 0.000 129.166 -76.293 # 69 total E -9.83624E+01 rmsd from N 0.000 %NC 0.00 1 92.262 -48.168 125.248 -81.433 124.063-130.582 137.289 -39.017 94.156 43.824 141.570-154.515 90.769 52.961 131.775 -78.231 88.741 54.806 133.701 -50.509 87.331 48.984 118.399-131.804 87.355 52.411 106.857 -66.945 88.854 58.453 138.033 -62.830 90.021 63.589 140.242-117.284 90.966 89.670 110.660-135.573 149.556-164.539 168.450-166.363 91.833 62.231 138.957-168.319 89.691 96.396 110.979 -80.680 91.010 74.205 124.927 -81.190 89.152 65.744 139.392-155.692 89.724 64.233 118.634-114.523 93.572 121.581 128.825-112.209 92.061 69.602 138.274-147.691 92.865 87.925 139.867-142.593 143.761-121.416 118.129 -77.689 93.726 61.155 0.000 0.000 91.745 55.986 141.691 -85.236 89.983 48.912 168.346-148.112 89.025 45.491 116.299 -78.266 89.019 51.369 107.839 -72.895 89.800 44.690 139.771 -56.277 92.567 48.618 137.948-140.713 94.268 29.816 141.874-122.884 117.290 84.498 146.086 -29.256 137.670 173.415 113.340-100.850 92.455 38.269 114.896 -76.723 91.427 51.670 103.355 -15.510 90.062 47.237 132.934 26.290 89.009 48.507 128.073 -75.886 86.280 47.096 108.099 -82.127 88.742 45.344 142.620 -41.550 88.359 45.609 154.609-135.488 89.383 45.596 128.221 -75.126 88.045 48.305 114.292 -46.268 89.198 47.658 128.545 -76.777 89.103 48.506 128.967-101.674 89.191 55.701 107.637 -68.894 89.972 64.475 141.745-116.037 91.184 70.348 132.390-149.326 94.730 64.142 100.713 -82.951 91.929 0.000 129.197 -76.279 # 70 total E -8.19489E+01 rmsd from N 0.000 %NC 0.00 1 122.389-106.645 151.464 -56.740 130.135-127.666 137.295 -40.945 95.105 42.781 141.909-153.392 90.756 51.552 132.099 -78.286 88.671 53.750 128.396 -46.191 87.238 46.870 123.162-123.678 87.233 47.371 105.278-140.718 88.106 49.813 163.786 -26.678 88.265 53.106 143.027 -96.188 89.594 50.444 116.257-133.356 93.340 79.474 138.598-118.061 96.653 12.709 129.005-151.252 117.184 179.377 147.520-152.583 143.164 176.164 174.576-169.366 91.770 60.729 108.988 -85.380 92.931 103.749 114.033 -96.388 95.163 94.093 129.405 -82.662 92.663 0.203 135.116 -89.391 107.846-179.745 138.039-153.513 138.693-177.221 169.616 16.889 97.129 57.775 0.000 0.000 94.125 44.803 112.147 -81.501 90.414 55.752 145.679-111.840 89.701 48.110 125.599-120.826 88.141 54.516 113.835 -74.205 89.506 64.822 147.966 -37.677 90.570 76.092 130.810-136.482 92.193 92.064 107.834 -89.409 123.819-159.696 150.643 -20.902 110.616 2.094 124.261-138.510 113.743-174.670 119.414 -78.827 138.878-156.394 133.374 -11.284 117.795-164.134 119.500 -77.037 139.776-155.552 155.275 -73.953 116.753-170.078 141.649-112.764 114.861 -87.740 137.706 161.056 92.972 3.706 149.546 -33.935 93.770 76.584 129.416 -75.717 133.856-155.883 139.870 -31.737 115.790-169.456 145.471 -85.059 141.687-150.227 165.081 -47.918 119.551-161.798 138.764 -88.533 132.366-175.777 171.172 -0.641 131.096-173.931 152.916-175.518 124.506 -69.071 158.461-155.875 92.134 0.000 129.445 -76.157 # 71 total E -8.78552E+01 rmsd from N 0.000 %NC 0.00 1 92.038 61.330 137.471-102.821 131.775 161.749 128.766 -46.671 132.894 171.414 146.366 2.495 129.042 177.381 149.541 -85.271 127.567-177.777 155.174-136.968 106.066 -13.974 152.566 174.471 92.379-104.224 96.468 -82.873 90.538 59.203 127.279 -88.254 92.680 64.647 147.549-133.324 99.852-179.871 120.413 -34.690 116.605-172.361 143.478-179.953 128.621 1.277 112.499-109.397 96.392 168.622 104.930 -87.068 130.990-166.296 152.857 135.667 96.146 5.684 141.747-147.086 122.475-118.144 153.662-107.060 124.299 -93.384 149.593 13.906 128.049 -88.029 141.964 -88.440 117.677-121.912 129.136-137.846 95.673 68.365 149.465 -5.601 94.543 46.727 0.000 0.000 93.588 51.041 115.355 -85.140 87.843 57.192 139.352-117.491 88.815 51.908 92.254 -56.518 87.662 53.091 107.497 -72.080 90.788 69.354 147.582 -24.639 91.151 63.895 133.839-130.498 92.441 99.405 106.379 -88.584 140.059-175.599 153.247 -16.846 94.532 9.954 127.218-149.873 114.205-144.645 119.098 -78.896 130.195-113.581 132.479 -26.444 135.105-134.265 120.615 -79.239 90.576 58.496 129.188 -76.040 88.289 57.510 105.205 -81.869 89.274 48.189 146.630 -27.146 88.966 46.743 161.299-128.009 89.299 44.945 128.200 -75.078 87.848 49.198 108.202 -39.657 89.363 48.062 125.268 -75.450 88.770 51.442 127.619-109.898 87.912 61.623 107.347 -69.327 89.220 76.217 146.402-132.616 89.997 71.289 137.344-135.393 94.031 71.581 94.609 -83.118 91.935 0.000 128.588 -76.285 # 72 total E -8.41814E+01 rmsd from N 0.000 %NC 0.00 1 92.027 53.340 135.802-101.167 127.083-177.782 150.401 -69.438 116.670 -7.356 109.153 -79.540 121.523-136.675 154.646 -69.116 93.950 69.142 166.116 161.370 92.199 47.945 106.216 -84.335 91.902 43.336 112.393-122.460 93.112 56.481 140.099 -76.299 91.172 73.893 155.137-162.763 90.245 94.412 119.267-139.137 123.482-153.853 152.263-124.772 92.537 73.999 103.476-106.125 90.738 70.901 103.341 -82.778 92.169 91.007 139.712-102.451 93.653 97.036 129.231-154.066 105.824 -97.883 111.915-114.841 112.658 0.057 156.769 -85.597 115.926 174.241 146.479 -4.876 123.462 -6.792 91.239-102.521 95.984 -64.038 110.889 -90.001 104.214 -53.182 0.000 0.000 94.679 111.933 134.817 93.311 93.015 42.560 142.681-104.771 93.975 178.136 139.231-112.641 124.928-111.152 120.314 -78.418 127.447-108.515 154.409-178.053 97.148 37.519 131.764-131.151 96.554 59.069 110.769 -86.335 96.964 81.172 118.683 -80.265 129.457 156.621 129.174-134.408 91.467 41.223 114.503 -76.830 90.572 54.018 106.699 -9.926 88.395 49.265 135.628 -33.790 89.256 47.098 127.850 -75.309 85.912 46.328 109.599 -82.983 87.920 54.480 138.975 -28.279 88.987 48.014 150.763-145.901 90.179 39.347 128.842 -75.406 89.722 51.329 111.643-124.288 90.053 56.762 129.972 -79.689 86.420 59.922 124.825-120.350 87.104 70.599 93.815 -72.700 89.623 73.069 127.919 -78.075 91.762 77.630 140.355-147.674 94.965 63.161 100.403 -84.513 91.928 0.000 129.270 -76.259 # 73 total E -9.95157E+01 rmsd from N 0.000 %NC 0.00 1 92.262 -46.489 125.666 -83.312 125.903-128.658 136.110 -30.521 95.769 40.516 140.881-158.082 91.148 52.410 131.310 -77.385 89.460 52.184 130.517 -52.334 88.808 45.579 119.398-126.788 88.616 48.422 114.110 -74.418 88.454 53.956 145.485 -81.549 89.641 66.408 141.799-104.543 88.916 80.860 117.982-140.643 93.265-156.916 136.405 -77.671 93.349 66.127 129.647-153.437 89.723 57.133 104.049 -75.417 91.412 84.854 147.070 -24.804 87.727 56.781 127.743-160.642 89.406 57.829 98.746-111.276 92.674 112.014 149.777 -71.505 91.199 64.251 138.974 169.033 91.149 110.120 140.209-136.144 154.699-114.137 113.691 -85.737 95.443 55.689 0.000 0.000 92.850 40.719 123.835 -56.016 93.786 50.099 165.460 179.072 89.935 43.833 125.319 -76.073 89.280 53.471 108.982 -78.317 90.610 67.227 150.074 -37.679 90.660 62.177 133.958-135.211 92.305 101.131 107.135 -88.175 140.502-176.787 153.744 -16.806 95.337 12.213 127.209-149.481 114.671-120.863 119.206 -78.989 138.411-105.145 139.529 -15.002 123.422-127.977 120.401 -77.809 92.553 61.465 129.658 -76.231 92.057 50.091 104.571 -80.968 90.695 45.342 152.505-121.184 89.521 49.698 145.781 161.342 89.697 47.123 129.363 -75.725 89.008 46.196 127.662 -82.519 89.647 50.922 128.863 -75.296 88.118 55.010 125.966-111.468 87.401 62.140 104.995 -68.850 89.196 71.737 142.444-120.524 91.179 71.838 138.078-142.286 94.629 69.689 100.786 -83.370 91.921 0.000 128.807 -76.127 # 74 total E -9.46607E+01 rmsd from N 0.000 %NC 0.00 1 92.200 -42.122 117.380 -61.195 127.945-120.620 137.586 -30.284 93.489 46.940 141.039-158.719 90.542 52.553 129.292 -75.720 89.358 51.369 141.351-122.671 89.555 43.880 115.944-133.091 89.508 49.732 108.133 -65.929 89.182 60.065 138.086 -78.368 89.711 70.327 136.936-123.939 91.651 95.809 117.134-142.368 117.730-127.367 144.122-102.215 92.964 69.697 101.530-106.115 90.007 63.747 107.605 -77.675 91.360 83.383 149.220-152.306 91.209 63.517 107.966 -92.652 93.992 104.855 126.219-103.748 147.882 174.950 135.007 -81.112 92.608 -6.531 135.237 -95.351 112.356-139.801 119.704 38.540 127.871-132.523 142.898 -6.316 96.797 46.691 0.000 0.000 92.916 52.957 125.230 -76.686 91.970 53.067 131.746-102.517 90.841 59.722 118.932-117.295 91.228 76.123 110.420 -80.547 92.850 90.842 162.327 174.273 94.224 61.263 132.167-131.888 124.561-114.663 110.156 -81.696 95.009 64.105 148.186 -23.953 114.405-169.266 123.234-135.420 139.321 175.152 150.485 -29.678 90.709 68.571 113.278 -30.784 89.742 63.100 114.761 -68.814 89.120 46.547 129.750 -77.162 86.729 49.286 103.676 -82.066 87.667 52.022 133.244 -80.754 86.929 48.887 124.484 -50.342 88.275 44.678 127.741 -74.996 87.512 48.712 106.901 -46.069 89.020 49.323 127.800 -76.064 88.778 48.225 132.711 -95.926 89.004 54.454 107.466 -70.287 89.839 67.807 141.791-117.182 91.179 70.925 133.294-145.565 94.757 64.811 100.823 -83.235 91.935 0.000 129.192 -76.273 # 75 total E -8.14684E+01 rmsd from N 0.000 %NC 0.00 1 123.367-141.713 145.705 -60.450 119.184-179.167 146.156 -32.543 136.877 176.177 101.702 -78.750 92.105 51.924 132.299 -78.093 92.475 54.932 134.303 -47.009 90.495 44.645 134.902-129.821 89.088 49.427 101.519 -73.374 87.336 56.522 138.450 -93.209 88.379 64.854 140.552 -96.195 86.965 82.546 111.655-137.228 93.920-151.368 143.756 -85.727 95.609 88.515 130.298-152.493 96.951 110.811 109.244 -84.869 131.486-178.344 150.876-136.410 110.550 7.965 143.988-151.874 99.497-167.978 140.275 -79.326 94.607 73.369 152.578 -11.976 91.640 72.608 143.672-138.330 93.711 92.828 80.274 -92.717 148.030-176.576 109.610 -85.487 101.989 -11.772 0.000 0.000 114.347 169.570 165.619 8.043 91.903 70.233 137.141-110.712 91.478 75.807 118.082-106.934 88.347 88.851 118.309 -78.159 93.330 72.579 106.920 -97.900 144.032 162.483 153.173-125.318 94.419 71.384 145.042-130.547 97.388 86.311 146.620 -23.341 136.453-178.457 106.439 -93.135 93.859 42.007 115.368 -76.735 91.179 49.201 107.823 -9.244 88.873 50.573 136.757 23.599 89.225 49.487 128.228 -75.803 86.153 47.728 108.662 -82.515 88.197 47.409 146.756 -46.250 88.570 47.857 143.899-110.762 89.066 44.175 128.115 -75.127 88.009 48.241 116.376-129.986 89.283 49.035 127.663 -75.982 88.613 47.458 128.960-109.948 88.618 51.799 102.964 -66.077 89.981 65.261 144.897-101.530 90.187 64.476 129.650-147.114 94.271 66.589 99.945 -82.419 91.949 0.000 128.965 -76.446 # 76 total E -9.34371E+01 rmsd from N 0.000 %NC 0.00 0 124.684-104.004 140.163 -4.106 132.919-117.680 131.692 -14.804 94.664 44.307 141.368-151.811 90.301 50.536 131.507 -77.144 88.414 50.119 127.179-143.558 89.317 45.851 119.253-127.067 88.753 51.077 118.004 -74.689 88.251 57.869 135.646 -72.310 88.673 66.352 138.644-116.180 90.002 90.131 113.123-140.847 116.692-160.463 152.837-101.823 91.650 68.077 104.754-108.607 92.286 99.029 104.785 -85.870 92.226 76.385 142.308 -84.506 92.947 97.909 134.732-147.748 100.798 -80.956 116.264-116.433 115.466-104.950 154.729 -89.138 143.144-173.208 147.442 113.142 104.437 -16.258 81.924 -73.274 94.052 -71.725 146.733 -18.046 95.062 -60.164 0.000 0.000 93.150 125.136 176.446 175.926 92.189 62.809 145.990-100.884 90.809 66.660 130.993-173.483 88.355 69.845 115.432 -72.430 90.126 77.854 139.219-130.092 93.673 74.783 137.931-121.699 94.437 8.554 140.830-128.237 118.131 85.921 148.867 -19.808 137.700 172.496 115.567-106.268 94.059 32.068 115.213 -77.153 91.354 56.284 112.154 -14.197 88.652 53.495 124.880 8.458 89.653 44.855 128.951 -76.603 86.764 45.075 145.714 -23.747 88.660 52.057 142.629 -42.983 87.416 49.284 137.865 -59.975 88.333 42.585 127.701 -75.041 87.669 51.357 109.327 -40.006 89.120 51.457 128.721 -77.779 87.672 50.993 127.755-104.724 88.058 59.186 102.239 -60.765 89.494 67.977 134.842 -72.449 90.924 72.314 140.836-145.997 94.678 64.305 99.693 -84.462 91.945 0.000 129.204 -76.307 # 77 total E -8.80101E+01 rmsd from N 0.000 %NC 0.00 1 92.018 -0.560 122.944 -63.284 122.655-163.047 150.177 -46.127 93.707 54.760 142.592-155.886 91.333 50.259 130.625 -76.630 92.162 45.778 145.966 42.799 90.639 47.198 108.760-124.357 89.852 50.604 109.812 -61.126 89.224 54.938 145.846 -86.250 91.147 63.437 156.160 -96.349 92.626 100.230 116.652-139.137 144.331-160.313 169.103-168.296 92.265 69.798 102.942-106.770 90.152 69.150 112.572 -81.582 90.871 77.052 135.340 -89.719 94.595 112.051 127.955-141.261 124.412-105.719 134.643-129.169 115.562 -4.878 155.015 -91.822 117.626 158.106 154.822 10.650 125.519-179.129 141.407 -96.682 95.159 67.811 145.679-179.303 94.259 55.798 0.000 0.000 95.874 57.164 173.402 2.871 92.614 90.014 125.331 -87.579 91.459 61.100 128.521-154.649 93.870 94.675 116.068 -77.671 143.328-170.569 169.129-163.905 122.550-116.130 119.127-119.624 94.315 66.129 153.677 -14.558 95.686 81.577 103.798 -80.213 130.332 74.877 106.145 -97.300 129.294-173.939 160.903-112.929 93.083 3.318 132.797 -97.940 110.238-178.001 111.472 -74.316 134.117 175.781 125.308 -69.689 94.140 47.764 100.278 -79.410 92.821 59.826 152.806 -11.800 89.922 45.350 167.249-169.034 90.324 41.760 128.414 -75.339 89.803 49.449 121.773 -41.805 89.329 48.401 128.230 -77.161 88.922 46.644 127.602-104.854 89.275 54.510 106.707 -65.612 90.066 64.766 144.658-108.850 90.271 65.103 130.079-153.222 94.155 65.946 99.913 -82.682 91.951 0.000 128.991 -76.522 # 78 total E -8.79797E+01 rmsd from N 0.000 %NC 0.00 1 122.890-118.239 150.187 -58.820 126.408-173.430 139.969 -15.633 130.418 169.222 137.742 -34.559 92.431 -8.082 129.448 -76.595 123.112 174.582 166.172 164.964 107.594 -12.423 157.506 161.962 91.538-102.497 99.228 -84.166 91.611 52.641 134.245 -82.551 93.298 73.212 150.058-179.460 99.613 157.086 122.974 -36.006 140.647-169.113 148.030-136.241 94.672 14.491 129.923-150.859 116.449 57.671 104.361 -82.462 94.449 172.209 153.716 -27.585 120.036-171.415 140.865 168.064 146.960 177.446 152.141-158.114 94.731 -0.283 136.779 -92.852 100.191-153.419 140.881-103.927 139.143 -98.404 116.757-129.500 97.927 -16.210 102.206 -83.261 98.063 131.544 0.000 0.000 126.393 142.677 155.941 128.516 122.317-110.777 137.514 -81.070 91.929 49.903 132.616-148.108 91.330 71.076 111.087 -75.420 91.821 85.500 136.324 -51.428 93.865 93.792 142.245 -97.375 93.883 52.532 110.435 -93.615 117.994-163.150 162.808-147.249 93.455 71.791 98.256-114.839 89.837 53.573 114.100 -76.404 90.622 58.962 116.543 -81.348 90.251 44.732 107.041 -75.213 89.508 47.157 128.746 -75.845 87.621 48.869 106.266 -82.810 89.191 44.159 132.826-108.141 89.093 46.617 152.042 -28.674 88.967 46.567 127.826 -75.036 87.550 50.382 114.605 -50.954 88.975 48.073 126.849 -74.726 89.055 47.715 130.209-100.245 89.501 55.634 107.571 -68.697 90.000 65.062 140.671-113.706 91.201 70.611 132.126-148.903 94.731 64.147 100.662 -83.041 91.930 0.000 129.205 -76.279 # 79 total E -8.61268E+01 rmsd from N 0.000 %NC 0.00 1 123.296-130.421 147.636 -58.999 124.089-154.911 148.391 -3.466 93.432 57.812 141.817-179.426 90.212 57.650 131.795 -76.994 88.050 55.691 101.747 -69.314 87.609 46.302 135.233-118.561 88.815 49.883 112.493 -66.637 90.081 67.023 144.147 65.136 89.915 82.472 142.168-113.071 91.385 60.958 87.995 -80.678 92.993-166.303 154.886-112.028 92.748 71.869 134.541-161.153 92.256 62.467 97.714 -86.166 93.619 67.055 148.094 -38.498 96.534 125.955 138.220 172.171 127.383-103.683 137.826-138.746 93.545 68.533 137.266 -86.340 93.334 80.117 135.885 -91.651 128.060 174.280 145.723 4.938 95.633 66.002 109.132 -81.519 138.888-167.667 0.000 0.000 122.760 -91.489 163.289 11.857 135.924-160.431 162.665-155.887 90.049 69.607 135.849-124.980 89.311 89.231 103.495 -74.002 91.078 78.462 127.120 -89.010 93.136 84.496 123.077-144.707 95.092 -92.256 103.153 -86.554 115.553-173.423 149.431 -19.450 122.906 177.055 123.436-129.512 95.395 -10.358 115.518 -77.524 114.031-179.764 126.773 64.443 133.914 168.083 121.805 -84.015 91.631 65.952 129.619 -76.416 88.548 58.499 104.573 -82.214 88.623 52.816 153.296-152.076 88.147 58.868 144.915 -23.591 87.329 54.066 127.634 -75.085 86.097 59.013 133.435-112.482 88.565 52.525 126.080 -73.063 86.884 53.066 125.042-112.280 88.327 62.344 100.893 -62.386 89.419 66.362 141.075 -88.458 91.311 72.799 134.933-152.888 94.806 64.081 100.234 -84.113 91.929 0.000 129.203 -76.275 # 80 total E -8.93118E+01 rmsd from N 0.000 %NC 0.00 1 123.558-111.927 145.625 -22.934 126.539-159.720 147.457 -25.905 94.706 52.778 149.446 -24.025 92.341 101.140 129.996 -75.947 96.237 60.185 94.172 -72.045 146.420-151.185 152.739 14.414 93.285 45.070 95.915 -79.632 92.261 88.907 152.903 -75.463 92.473 73.996 130.792 -71.632 91.568 101.628 89.877 -84.839 129.538-169.776 124.037 -88.971 92.016 77.475 103.797-106.729 93.565 59.530 105.621 -88.522 91.504 79.067 150.347 -25.725 94.063 55.078 129.224-144.345 111.115 145.517 152.065-116.994 140.451 169.594 148.681-106.394 92.952 -9.892 137.410-100.909 113.287-135.998 107.641 92.326 121.283-172.235 153.599 -21.991 95.526 53.768 0.000 0.000 90.754 52.524 116.959 -68.833 90.544 51.427 153.902 123.821 89.414 47.815 117.499 -63.668 89.625 52.029 111.876 -76.206 89.927 58.693 144.781 -25.931 91.111 70.700 138.381-143.357 92.206 66.241 141.557-125.019 108.696-162.491 148.018-126.430 93.783 66.729 97.969-116.851 92.334 55.165 115.039 -76.965 91.784 81.091 113.635 21.448 93.813 92.518 113.362 -81.143 92.348 5.972 129.117 -75.956 117.905-174.996 112.332 -82.278 121.539 -82.773 168.629 -4.720 111.856-120.468 149.370 -98.236 91.884 47.797 131.065 -77.131 90.987 67.949 100.154 -72.355 91.076 61.426 123.633 -72.281 87.326 62.918 113.949-131.859 87.710 72.051 93.565 -73.103 90.340 72.352 136.437 -99.064 92.920 90.011 136.576-148.713 95.470 56.160 100.839 -84.715 91.911 0.000 129.593 -76.112 # 81 total E -9.23264E+01 rmsd from N 0.000 %NC 0.00 1 123.654-120.637 146.133 -35.288 123.791-170.404 147.769 -60.008 95.001 73.473 146.802 3.321 91.529 77.865 129.464 -74.578 94.893 116.184 88.116 -83.218 97.984 1.324 156.591-179.201 97.981-130.137 117.141 -90.488 89.144 66.380 146.036 -74.776 92.393 81.000 140.022 -39.905 89.293 78.322 101.360 -77.000 115.896 -86.119 135.207-118.892 119.365 17.368 118.546-121.462 117.435 168.634 139.685-141.282 130.054-141.867 154.929 137.088 115.372 -4.811 106.796 -90.700 98.203-172.447 139.197 -93.144 95.899 65.211 133.142 94.922 91.928 67.078 138.200-106.169 95.330 67.835 95.455 -68.641 142.968-174.987 167.629 152.367 125.619 -23.129 0.000 0.000 129.162-122.177 163.003 12.933 94.022 43.080 147.349-105.777 91.946 52.980 109.509-101.101 91.581 64.479 113.246 -78.342 92.241 76.856 141.022-140.422 93.167 61.467 134.024-130.779 95.264 5.960 142.137-128.227 129.529 89.771 149.966 -17.540 139.496 176.933 112.104 -98.151 94.852 33.194 115.470 -77.074 91.291 54.405 107.972 1.670 88.020 57.617 129.142 24.276 89.394 47.470 129.077 -76.290 87.568 45.343 110.603 -82.191 90.082 48.830 146.129 -19.735 88.009 48.240 132.822 -77.349 88.743 43.590 128.041 -75.264 88.475 47.264 109.640 -34.830 89.563 47.884 129.358 -77.643 88.761 50.493 128.991-103.730 88.347 60.703 105.176 -64.094 89.639 75.492 145.413-104.629 90.288 69.689 135.818-154.753 93.701 75.924 99.814 -83.597 91.920 0.000 128.228 -76.101 # 82 total E -9.53139E+01 rmsd from N 0.000 %NC 0.00 1 91.928 66.202 113.831 -37.065 138.028 170.280 122.475 -31.748 101.532 -12.970 99.906 -82.529 111.352-145.362 141.905 -70.068 92.811 48.443 160.865 122.134 92.381 45.699 115.572 -84.681 91.316 45.669 120.559 -44.294 94.581 46.657 145.091 -79.163 92.991 56.996 147.444-127.001 94.061 97.490 124.727-144.142 136.757-169.475 170.579-155.261 92.923 71.975 131.320-156.098 89.029 65.160 109.941 -80.188 89.734 81.695 125.295 -82.228 93.915 97.013 132.523-157.561 93.881 35.254 104.054-106.151 111.735-177.984 141.420 -55.228 143.696 164.226 160.601-179.288 102.379 -14.837 84.110-133.798 95.713 -59.633 105.587 -77.707 106.934-115.933 0.000 0.000 91.802 57.540 130.155-110.023 90.397 48.432 141.963-122.341 90.504 43.796 119.487-101.629 90.165 49.201 109.892 -76.300 88.542 50.619 141.602-108.698 90.211 48.356 134.404-126.119 92.981 48.930 108.574 -88.023 96.611 80.544 115.415 -80.210 126.995 150.132 133.459-140.718 89.657 41.382 114.364 -76.637 90.051 59.941 107.228 -25.319 88.315 50.170 130.351 -15.749 88.797 47.315 127.937 -75.349 85.398 48.478 107.867 -81.666 87.280 50.789 136.703 -58.672 87.028 49.392 156.328-162.531 87.721 47.803 128.241 -75.003 87.339 50.946 107.949 -43.973 88.961 49.008 126.613 -73.981 88.924 48.646 128.819-103.240 89.151 55.706 106.304 -67.880 90.009 65.426 142.215-111.274 91.180 70.600 132.301-149.594 94.734 64.181 100.641 -83.176 91.930 0.000 129.205 -76.283 # 83 total E -8.32396E+01 rmsd from N 0.000 %NC 0.00 0 92.316 -49.408 126.185 -84.167 123.475-132.625 138.592 -37.394 94.226 43.593 141.682-153.573 90.932 52.760 130.622 -77.880 88.076 57.397 129.080 -46.234 87.428 47.961 121.067-133.343 87.661 51.740 117.398 -86.576 87.900 61.224 137.401 -64.631 89.244 71.740 142.418-113.278 91.463 100.904 113.323-145.167 115.145-130.979 145.489-107.501 93.327 70.650 103.485-107.535 90.480 64.611 104.467 -80.222 91.937 91.339 147.707-128.865 91.012 64.064 133.568-149.590 93.833 105.454 119.156-110.669 147.106 174.748 136.146 -75.244 92.512 -8.133 136.972-100.289 111.547-137.546 102.258 77.568 129.045-131.138 150.449 -5.487 96.859 45.893 0.000 0.000 91.907 50.719 113.066 -75.312 90.632 52.657 132.354-101.558 89.969 46.612 120.532-129.607 88.740 52.493 113.048 -76.072 90.630 56.813 150.551 -27.348 92.513 63.418 132.774-105.046 95.338 10.504 140.952-129.888 124.249-165.605 106.987 -77.699 93.112 75.052 136.312-163.873 89.961 58.595 114.764 -76.061 91.061 85.983 104.360 -5.726 93.100 99.933 115.727 -83.036 92.201 14.004 128.980 -75.480 101.723-132.655 142.309-145.864 130.052 -94.252 168.822-164.296 103.847 -0.414 137.431-132.011 93.293 130.945 129.605 -74.976 144.612 173.620 149.391 47.862 113.003 99.669 146.674 -83.197 123.856 -92.424 145.160-109.276 115.360-158.468 113.718 58.884 121.303 -3.736 163.802 -24.232 96.283 176.823 141.765-143.895 123.687 -59.604 156.013-155.372 92.085 0.000 129.376 -76.158 # 84 total E -9.87261E+01 rmsd from N 0.000 %NC 0.00 1 92.070 -5.949 129.869 -83.264 131.097-134.024 137.178 -63.646 91.925 53.161 148.182-156.399 90.402 77.267 131.662 -77.832 90.120 76.771 120.053 -49.259 90.617 75.633 126.482-127.312 91.459 69.679 97.091 -88.302 121.395-174.761 128.419-101.160 94.408 79.221 156.560-119.671 93.735 101.782 86.859 -79.832 124.848-144.741 161.356 -15.893 94.440 45.711 99.400 -95.018 92.416 66.845 112.491 -86.542 91.491 90.543 143.543 -41.580 92.285 84.261 132.608-148.678 94.014 17.635 105.557-122.589 104.443-167.723 122.645 -80.740 132.241-175.401 139.991 84.757 131.458-168.974 101.943-139.805 94.562 66.245 149.924 -13.251 94.528 58.837 0.000 0.000 92.480 53.906 122.112 -69.583 91.169 50.253 162.041 126.557 90.650 42.384 118.418 -69.361 92.092 54.898 109.758 -78.059 91.411 70.623 146.261-122.849 92.519 82.047 130.169-127.876 94.873 24.749 109.576 -92.194 116.591-162.424 161.678-145.138 93.105 77.514 99.084-118.919 90.053 48.857 114.338 -76.535 90.580 56.533 120.673 -55.557 89.586 48.602 112.940 -74.808 89.587 44.065 128.651 -75.537 87.366 48.088 104.524 -82.377 88.743 51.505 141.675-104.319 88.106 44.855 138.620-132.011 89.301 43.420 128.696 -75.281 88.807 50.030 116.556 -50.418 89.243 50.005 126.895 -75.293 88.513 45.550 129.546 -99.423 89.252 54.919 109.385 -73.944 90.297 69.118 142.886-137.540 90.527 66.046 138.093-165.846 94.050 70.779 100.752 -82.523 91.933 0.000 128.675 -76.269 # 85 total E -8.88524E+01 rmsd from N 0.000 %NC 0.00 1 124.268-106.572 141.948 -7.958 126.888-156.737 148.564 -33.827 92.286 55.944 138.726 170.934 89.735 56.126 132.170 -78.582 88.517 54.995 124.075 -44.232 87.609 48.607 134.787-134.888 87.384 50.375 104.060 -64.858 89.135 57.131 138.743 -74.978 90.158 66.441 137.182 -94.019 90.970 93.288 112.834-140.778 142.733-166.506 167.435-147.174 92.568 68.848 131.024-155.456 89.637 67.463 110.071 -80.421 89.798 81.297 127.282 -76.942 93.659 96.129 132.503-156.373 93.976 36.742 104.946-107.760 111.739-179.983 142.816 -53.067 144.728 165.700 159.851-172.008 101.159 -15.849 83.918-135.118 95.793 -60.339 107.388 -77.437 107.125-118.813 0.000 0.000 91.689 54.799 124.589-110.202 90.526 50.378 142.788-117.183 90.693 43.521 122.074-103.219 90.826 46.428 110.123 -76.435 89.189 47.789 139.308-107.270 90.536 53.279 137.567-133.890 91.309 48.763 110.666 -87.659 94.654 80.984 114.160 -84.255 97.130 112.705 125.941-148.043 138.576-155.499 126.528 -82.675 136.429-139.948 139.384-153.023 129.669-168.767 122.623 -79.193 137.320-144.546 159.992 -82.056 136.614-170.420 161.537 172.144 111.834 -89.133 132.378-148.070 92.799 4.415 149.240 -31.934 93.966 75.064 129.445 -75.838 130.947-155.875 145.599-159.776 128.811-163.564 151.366 -82.899 136.164-142.329 157.494 -75.506 126.779-165.271 110.988 -63.044 134.866-153.107 153.767-156.771 140.882-155.279 162.835 170.151 136.000 -8.081 127.074 -79.477 91.900 0.000 128.569 -75.505 # 86 total E -9.73314E+01 rmsd from N 0.000 %NC 0.00 1 92.123 -20.822 127.416 -89.109 120.698-161.687 149.982 -7.222 94.207 58.152 143.936-140.601 91.753 54.714 129.007 -74.448 93.465 40.914 106.378 -65.872 93.119 44.193 147.238 147.146 91.192 42.170 109.506 -62.808 91.908 52.067 148.806 -89.208 91.179 65.080 146.188-117.212 91.794 92.976 123.365-135.562 121.284-155.149 153.924-111.516 91.527 74.211 130.949-154.940 88.936 63.019 106.434 -78.911 90.246 73.317 134.560 -85.704 91.106 69.045 129.076-139.527 94.166 107.946 115.925-110.092 144.296 175.212 133.253 -91.157 92.427 -0.768 137.254-101.074 110.888-154.735 69.209 69.171 125.497-139.244 146.374 -55.083 96.520 45.736 0.000 0.000 91.846 45.631 111.637 -79.996 91.389 54.895 166.603 173.059 89.815 46.969 131.827 -85.740 88.814 45.771 110.006 -73.854 89.919 49.843 143.392 -32.143 91.133 55.043 148.092-134.852 92.619 47.434 111.886 -87.626 96.537 59.631 110.157 -80.975 139.942 165.567 117.752-104.122 93.930 28.205 115.072 -76.965 92.311 60.325 127.963 -60.273 90.753 50.438 126.583 7.073 89.973 44.418 129.926 -77.080 87.113 47.910 104.617 -82.890 89.146 52.027 141.711-113.421 88.226 45.912 136.610 -73.313 89.093 43.847 128.245 -75.176 88.441 50.368 105.991 -43.499 89.526 48.170 126.295 -74.748 88.989 47.604 134.289-111.368 88.901 51.876 103.240 -66.147 89.972 64.135 140.243 -98.209 90.610 67.395 129.062-140.950 94.579 64.499 99.874 -82.556 91.934 0.000 129.153 -76.326 # 87 total E -9.43147E+01 rmsd from N 0.000 %NC 0.00 1 125.662-111.656 137.709 -9.065 129.508-121.228 138.601 -41.779 93.128 45.779 141.424-163.755 90.190 55.238 129.440 -75.370 90.179 48.979 155.890-146.132 91.419 42.525 124.311-113.817 90.588 46.511 101.407-132.208 89.413 55.498 133.691 -93.738 88.801 65.171 141.727-127.063 88.465 72.178 115.317-138.923 92.954-160.668 135.968 -62.082 94.176 71.746 129.460-153.027 91.030 57.513 110.672 -73.275 90.457 75.685 150.425 -40.828 87.183 68.819 126.121-145.735 90.194 105.530 116.184 -99.509 92.932 81.328 146.686 -79.579 92.370 65.191 134.985-100.094 116.174-147.670 69.034-101.731 95.059 57.434 145.691-179.507 94.851 49.112 0.000 0.000 93.443 62.117 145.877 -95.052 88.405 51.908 137.844 -94.286 89.835 40.659 115.617-119.225 90.181 47.409 109.198 -76.879 89.405 54.931 147.038 -45.142 90.272 50.378 142.746-131.335 93.070 44.836 141.148-126.444 98.603 65.743 138.427-109.257 141.588 167.562 118.058-101.572 93.924 32.772 115.145 -76.940 92.608 54.099 103.574 -41.710 90.924 49.323 135.931 7.891 89.575 48.192 129.102 -76.271 86.294 47.095 104.592 -82.586 89.249 47.930 144.000-115.888 88.042 45.992 143.855 -99.307 88.994 45.495 128.350 -75.287 88.239 48.861 131.684 -68.717 89.200 46.676 127.870 -76.098 89.505 46.669 130.398 -88.024 89.758 54.991 112.775 -71.782 90.347 63.964 138.481-128.884 91.275 68.909 133.606-153.409 94.648 65.265 100.826 -82.479 91.929 0.000 129.101 -76.269 # 88 total E -9.56617E+01 rmsd from N 0.000 %NC 0.00 1 92.289 -52.350 125.029 -80.728 117.127-153.368 156.598 -89.369 94.495 49.000 140.209-171.076 90.766 50.211 129.790 -76.269 90.926 51.571 160.813 158.160 88.841 45.537 130.704-110.316 89.363 46.712 102.326-135.131 90.448 59.724 148.595 59.467 88.541 74.488 145.184-116.503 89.896 98.712 114.086-148.055 91.996-165.297 138.235 -55.824 96.117 70.683 129.615-151.888 91.177 44.824 108.617 -81.353 92.121 88.125 143.971 -36.538 91.088 69.356 131.640-166.983 92.039 61.992 100.255-117.406 94.622 99.574 135.744 -71.411 148.332-173.995 149.377 152.042 100.927 -11.483 51.300 -69.467 98.821 -76.996 146.907-135.198 130.290 -67.641 0.000 0.000 91.653 65.263 125.616 -95.873 92.973 47.948 138.555 -97.741 91.548 45.195 127.757-139.780 90.573 55.367 115.026 -76.892 90.996 74.123 140.015-163.551 92.125 76.631 136.043-139.406 93.056 100.553 141.709-125.366 135.305-169.285 110.314 -79.467 94.688 10.865 99.147-111.685 112.742 173.655 118.526 -79.220 147.272-179.631 134.293 -28.702 103.318 -89.661 115.758 -75.812 121.585-165.853 151.074 -84.935 94.621 43.906 99.936 -86.568 90.785 56.309 145.792-134.079 90.415 50.410 176.440-156.356 90.217 41.197 128.455 -75.353 89.754 48.062 113.989 -26.196 90.030 49.032 127.930 -77.200 88.855 49.980 128.060-104.584 88.521 55.872 104.858 -61.040 89.922 65.766 143.168 -89.696 91.047 69.887 136.079-159.999 94.665 64.939 100.014 -83.885 91.943 0.000 129.143 -76.290 # 89 total E -8.85020E+01 rmsd from N 0.000 %NC 0.00 1 121.137 -91.494 150.818 -21.335 129.734-118.862 134.685 -22.793 94.139 45.384 141.329-157.759 90.749 51.216 129.783 -76.392 88.968 51.793 136.725-112.332 88.563 52.717 117.994-130.714 87.272 50.151 123.780 -85.002 89.231 57.400 150.347 32.259 88.476 67.607 144.734-131.390 91.133 87.719 112.712-136.924 94.446-167.436 147.341 -49.832 96.149 73.209 130.015-151.764 92.080 48.781 109.857 -80.501 92.386 92.144 156.342-136.392 93.782 93.943 136.037-163.253 92.841 34.544 109.679-130.875 107.330 173.090 156.458-153.244 138.576-154.279 148.421 37.508 116.864 -86.531 117.010 -38.252 94.467 1.715 109.010 -81.383 98.615 69.123 0.000 0.000 145.277-139.929 176.419 131.359 121.407-111.251 158.726 -98.470 92.490 51.063 141.132-163.753 91.625 58.504 105.366 -73.964 91.815 68.381 142.553 -98.130 90.603 52.902 136.517-128.437 92.445 50.184 108.427 -88.136 96.822 78.064 114.990 -83.758 114.964 101.847 132.446-147.624 137.352-155.642 125.892 -82.248 135.610-141.690 144.791-144.074 128.377-169.486 122.287 -79.123 138.205-144.779 161.480 -79.973 134.125-169.248 150.907 -2.355 107.982 -89.391 132.681-151.423 92.882 4.701 148.566 -33.374 93.942 75.269 129.395 -75.801 128.553-154.984 144.496-155.881 127.833-163.739 150.603 -84.058 136.496-143.736 155.871 -67.905 124.984-166.451 111.122 -63.671 134.779-150.702 154.207-168.990 141.107-137.634 163.516 169.728 124.805 -57.287 156.984-136.342 92.097 0.000 129.278 -76.262 # 90 total E -8.12358E+01 rmsd from N 0.000 %NC 0.00 1 122.508 -98.271 147.530 -20.268 124.404-115.864 130.367 -35.752 95.136 33.610 143.643-141.018 92.461 67.518 132.271 -78.671 92.818 77.412 122.767 38.645 93.148 83.979 124.867-136.164 91.962 10.836 100.140-110.575 110.717-177.037 161.300 -18.528 114.491-179.134 143.176 -41.534 126.594 -12.059 138.481-134.973 123.838-167.193 167.545 -10.822 113.689 -88.306 130.357-144.014 96.152-179.188 146.814 -27.415 128.894 165.646 145.260-143.859 107.182 1.152 152.208 -26.919 104.627-167.970 148.801 -93.974 138.462-165.808 147.408 -33.588 93.095 -86.052 136.702 -97.685 128.716-111.234 108.231 -28.838 118.540-116.179 146.553-153.389 94.932 37.284 0.000 0.000 95.223 62.147 176.463-171.070 92.658 47.993 151.503-113.905 91.033 41.729 147.523 140.009 90.961 49.063 112.192 -75.562 90.114 49.284 137.122 -72.730 90.924 52.305 138.753-142.336 92.305 27.303 112.259 -87.902 114.492 83.624 105.834 -79.086 138.391 165.770 113.779-100.921 93.337 37.229 115.164 -76.692 91.965 51.453 110.090 -41.319 90.198 47.291 128.324 -0.300 89.272 49.480 128.295 -76.062 85.894 47.541 132.662-131.127 88.353 47.694 137.768 -99.622 88.039 47.346 154.299-124.550 88.876 45.971 128.238 -75.043 88.093 48.460 107.861 -46.575 89.467 47.686 127.281 -75.625 89.426 49.271 127.460-109.821 88.981 57.224 106.198 -70.602 90.035 66.009 142.214-119.676 91.904 72.462 135.320-154.995 94.650 63.678 141.352-121.453 91.927 0.000 129.234 -76.251 # 91 total E -8.48139E+01 rmsd from N 0.000 %NC 0.00 1 92.165 -35.469 120.303 -68.841 127.584-122.866 136.315 -61.355 93.230 43.302 139.796-161.542 90.092 54.336 129.576 -75.844 91.914 51.432 162.655 -5.205 92.475 39.915 114.952-132.274 91.101 47.995 104.155 -74.513 90.213 63.965 133.444 -96.288 90.912 74.144 139.681 -93.333 89.234 93.241 116.190-143.368 117.328-168.533 125.872 -97.704 93.076 80.692 104.701-109.360 93.304 60.933 100.496 -84.551 92.621 101.873 159.387-150.783 96.036 66.787 137.441-164.770 100.671 167.975 126.465-106.922 143.005 168.814 141.261 -89.468 92.795 -7.910 135.162 -93.087 107.393-134.981 113.061 17.608 131.195-136.875 153.762 -0.292 95.925 45.665 0.000 0.000 92.010 56.866 116.465 -81.437 89.748 65.205 140.351-118.738 91.618 74.002 93.909 -68.102 94.434 80.837 114.431 -80.714 136.410-101.224 176.422-166.039 114.872 -95.376 135.256-145.206 96.885 47.049 150.818 -22.262 96.596 73.542 115.158 -85.770 124.054 84.382 127.831-135.129 128.106-176.963 158.357 -8.305 92.415 -77.742 101.174 -48.156 93.544 -77.811 111.754 -73.027 123.719-106.584 146.055 -85.851 91.862 52.718 111.095 -79.168 89.975 48.676 138.726 -49.317 89.266 47.495 137.752-105.094 89.410 45.844 128.768 -76.116 88.031 49.271 108.804 -46.599 89.103 48.198 127.304 -75.906 88.996 49.361 129.965 -95.405 89.117 56.558 108.563 -69.923 89.979 65.267 141.885-120.084 91.236 71.379 134.392-147.969 94.758 64.040 100.899 -83.089 91.932 0.000 129.211 -76.271 # 92 total E -8.67185E+01 rmsd from N 0.000 %NC 0.00 1 92.183 -36.694 122.493 -75.954 126.324-127.658 135.630 -39.850 94.453 42.308 140.404-159.878 90.602 53.450 130.820 -76.405 91.052 51.260 147.315 -43.931 91.893 40.966 116.366-129.276 90.274 46.277 105.197 -72.866 89.338 61.781 133.831-105.225 88.759 71.410 141.955 -91.380 86.780 87.128 116.356-142.556 92.683-167.687 114.017 -88.373 94.228 72.279 127.911-150.027 93.767 42.698 98.430 -84.988 93.732 94.800 147.899 -17.401 92.090 74.112 131.461-166.948 92.912 58.043 103.261-129.343 115.182 156.284 143.802-124.302 138.373-156.723 143.942 23.488 120.994 -83.655 144.094 -57.688 94.745 -2.485 108.253 -81.584 97.364 76.138 0.000 0.000 140.374-159.109 169.413 122.351 125.844-108.769 140.389 -68.331 92.397 46.807 133.796-168.556 90.584 57.754 112.024 -71.896 91.690 71.094 145.428 -27.003 91.009 60.435 135.770-135.457 91.901 54.959 108.151 -88.030 96.561 80.916 119.694 -82.064 120.820 103.929 129.927-139.462 130.508-153.826 125.329 -79.079 128.865-141.957 129.496-155.961 121.978 95.036 143.938 12.588 91.023 -10.790 127.970 -75.609 93.223 -76.390 105.312 -82.463 104.723-171.419 150.425 -24.391 128.145-153.408 150.219-138.737 143.746-146.601 143.629 -58.030 90.905 58.314 148.198 -45.507 90.493 65.591 127.561 -75.624 89.441 60.533 132.496 -83.238 90.003 68.588 109.015 -66.227 90.799 78.321 163.668-161.063 91.299 67.826 137.542-142.873 94.525 68.498 101.292 -82.535 91.955 0.000 128.991 -76.557 # 93 total E -8.47995E+01 rmsd from N 0.000 %NC 0.00 1 123.761 -97.638 142.564 -5.913 123.889-115.436 130.857 -40.792 95.257 33.808 143.062-148.635 92.531 64.713 130.047 -76.670 93.195 70.055 174.610 173.498 94.049 100.161 123.447-130.259 91.635 6.473 91.687 -99.669 106.720-163.403 163.391 -43.701 133.699 68.477 169.510 1.518 110.407 144.188 140.764-126.434 113.801-119.462 157.257 -20.956 94.289 26.208 130.174-152.591 113.084 171.135 95.662 -88.791 119.385 23.118 166.305-132.087 109.978 172.086 142.553-162.793 125.216-102.994 143.880-169.381 94.664 13.803 137.903 -88.949 94.413 99.516 136.700 -92.143 141.857 172.104 122.592 -22.795 120.369 164.764 111.824 -80.795 144.364 157.537 0.000 0.000 132.657-149.375 156.511 116.731 136.735-140.464 169.065-133.453 89.727 62.591 125.768-128.634 90.565 85.637 104.357 -72.651 92.462 87.917 142.861 -90.826 92.956 66.419 131.462-127.857 112.684 -95.780 103.370 -85.462 115.305-166.463 147.698 -22.993 120.602 167.453 123.813-131.856 96.186 -3.367 115.481 -77.502 114.718 177.287 127.406 27.272 135.648-178.010 114.941 -84.744 93.048 54.590 129.101 -75.687 92.855 45.027 104.465 -81.474 90.174 50.366 149.418 -42.506 89.138 48.616 134.343-108.194 89.006 46.380 128.446 -75.404 87.802 49.619 114.700-135.207 88.958 49.340 128.015 -76.005 88.093 50.878 128.226-106.180 88.531 56.317 101.081 -65.143 89.594 65.292 145.154 -84.660 91.045 69.783 132.327-156.071 94.706 65.061 100.086 -83.732 91.931 0.000 129.124 -76.293 # 94 total E -9.68814E+01 rmsd from N 0.000 %NC 0.00 0 123.697-101.434 143.269 -7.100 130.809-120.943 130.757 -12.949 94.468 46.561 141.762-153.067 91.295 49.457 129.895 -75.697 90.879 46.256 129.026-122.271 92.456 40.834 115.041-119.363 90.428 47.480 108.293 -65.315 89.982 55.210 135.834 -99.601 90.639 68.554 141.644-113.341 91.208 92.482 117.333-137.368 140.163-161.715 164.780-143.228 91.120 68.173 103.022-107.179 89.740 68.959 108.985 -77.571 90.067 72.978 134.308 -76.517 91.068 69.113 127.009-138.945 94.547 99.933 116.291-110.067 144.067 169.974 136.731 -88.123 92.655 -4.759 137.392-101.707 110.601-162.138 73.002 82.917 147.540-110.260 115.094 -82.311 95.089 55.449 0.000 0.000 90.893 47.717 123.995-108.900 91.061 50.562 164.867-149.031 89.515 47.281 128.723 -92.496 87.988 50.481 112.809 -75.777 88.741 50.775 137.728 -46.644 89.008 53.040 132.866-145.077 91.087 55.403 110.364 -86.121 94.888 78.178 116.360 -80.474 110.796 179.450 129.506-144.694 95.065 -1.210 115.585 -76.782 110.967 131.452 149.731-127.295 126.326 163.212 122.056 -77.568 92.210 55.806 128.805 -75.614 91.413 47.062 105.099 -82.497 90.328 48.147 151.269 -26.412 88.730 46.144 141.759-154.300 88.518 46.307 128.552 -75.289 87.372 52.483 118.190-131.225 88.514 49.630 127.503 -76.154 87.148 54.767 125.790-112.812 87.767 67.354 100.639 -67.874 89.978 88.528 139.250 -16.563 89.511 68.344 137.287-153.146 93.877 80.552 97.363 -82.598 91.861 0.000 128.573 -75.348 # 95 total E -9.16083E+01 rmsd from N 0.000 %NC 0.00 1 123.843-103.910 143.272 -10.570 130.044-122.634 138.877 -35.468 93.556 47.626 141.294-155.724 90.726 53.146 129.926 -76.160 89.183 52.995 145.046-119.330 89.664 44.279 119.163-129.034 89.242 52.724 105.066 -64.129 90.611 89.218 142.793 -79.192 90.726 76.619 150.571-156.524 88.650 91.862 90.579 -78.903 133.749-146.094 146.504 -90.310 93.255 57.004 92.000 -93.548 92.514 49.700 107.398 -83.224 90.480 62.586 148.913 -14.900 88.871 47.255 122.544-145.964 88.988 54.349 131.176-109.441 89.591 75.768 142.363 -88.566 91.148 85.981 142.654-131.997 92.849 54.747 123.329-131.237 104.189 -94.780 99.332 -70.880 96.583 -32.440 0.000 0.000 138.168 -94.592 139.504 84.202 109.693-168.405 138.540 -94.961 91.392 69.066 133.649-125.754 91.217 69.473 109.297 -76.358 92.453 78.774 149.698 -10.111 91.922 84.080 115.544-148.006 97.352 -75.832 105.744 -88.002 110.445 -80.116 155.137-138.808 114.807 118.110 132.672-148.752 89.110 50.412 113.891 -75.899 90.237 51.350 101.787 -35.377 88.578 47.507 113.985 -71.696 88.859 46.774 127.936 -75.215 86.261 46.870 105.899 -81.678 87.826 47.744 139.364 -79.579 88.159 46.756 146.870-134.412 88.734 45.636 128.370 -75.113 87.130 52.539 117.035 -44.279 89.013 50.679 126.683 -74.302 88.954 46.037 129.893-101.978 89.816 51.981 104.884 -64.516 90.531 65.220 139.390 -92.830 91.193 68.614 129.674-164.148 94.640 64.532 99.950 -83.146 91.930 0.000 129.168 -76.311 # 96 total E -8.29078E+01 rmsd from N 0.000 %NC 0.00 1 92.281 -53.564 116.813 -56.189 127.071-123.190 132.836 -50.335 94.206 41.210 142.019-148.018 90.897 52.582 130.955 -77.363 90.323 53.381 163.843 8.873 87.765 50.089 117.233-125.514 88.581 46.496 108.392 -66.717 88.734 49.553 149.032 -76.495 90.605 67.321 154.290-143.892 88.938 78.604 121.586-136.259 93.121-156.192 126.745 -88.180 91.547 80.343 104.157-109.754 89.375 57.237 105.909 -80.798 90.790 71.635 136.019 -54.764 93.414 65.610 133.125-154.625 101.273 137.999 113.380-109.023 143.040 158.290 127.965 -76.813 92.463 -6.904 135.728 -96.716 108.924-144.390 119.882 28.070 127.831-127.380 149.753 -16.065 95.463 39.968 0.000 0.000 92.062 67.847 116.981 -73.466 89.170 57.031 149.773-108.517 91.308 53.594 99.335 -79.070 96.162 100.496 112.495 -81.979 135.482-103.040 167.900-173.034 123.073-109.942 125.763-119.199 96.005 65.683 151.482 -21.648 96.873 74.826 105.718 -81.238 133.119 107.347 110.090-101.514 149.628-152.231 133.412 -85.713 135.578-136.195 136.197 -33.450 124.938-168.280 120.977 -78.195 136.710-139.922 156.220 -93.220 138.201-171.264 161.963 170.752 112.152 -89.239 132.801-147.687 92.805 4.646 149.263 -31.862 93.937 75.036 129.444 -75.838 131.075-155.553 145.710-160.647 127.371-164.244 151.328 -82.902 137.094-135.805 156.177 -72.766 124.964-169.337 129.585 -91.488 136.126-145.189 154.768 147.162 153.701-133.148 102.700 -95.345 120.171 -18.268 154.511-141.539 91.959 0.000 128.897 -76.023 # 97 total E -9.67816E+01 rmsd from N 0.000 %NC 0.00 1 123.795-108.973 144.482 -21.384 125.008-118.484 131.167 -52.992 92.720 40.303 145.285-132.814 90.060 59.276 131.735 -79.045 88.613 55.191 165.885 -4.579 87.694 51.746 76.489 -68.220 89.244 50.401 117.873 -78.155 88.148 54.977 139.014 -62.730 89.282 66.328 147.826-160.371 89.863 91.347 119.761-127.606 94.353-162.331 140.462 -96.491 92.746 77.727 130.493-154.063 89.458 63.555 99.986 -81.630 91.092 85.608 126.821 -76.931 92.431 66.627 133.808-148.045 93.810 95.586 126.347-120.758 129.843-120.002 153.084-145.881 93.274 -5.681 136.594 -96.846 111.125 165.976 113.509 -4.830 129.223 76.168 142.198 41.782 95.883 163.968 0.000 0.000 125.531 136.362 107.110 -90.434 90.713 64.223 133.137-104.204 91.086 63.243 99.076-109.076 92.649 99.321 117.069 -78.772 93.622 104.938 146.628 176.837 94.421 -1.961 134.625-132.476 95.925-107.596 144.257-126.970 134.612-123.558 156.787 -12.041 120.643-163.717 116.352-120.987 93.513 104.515 115.460 -77.478 93.096 12.924 92.755 -84.719 113.938-171.087 108.187 -82.735 93.219 47.543 129.253 -75.904 93.641 46.941 106.157 -81.672 91.336 50.570 147.951 -13.462 89.324 45.338 129.207 -89.435 89.876 43.104 128.426 -75.401 89.102 47.163 116.260 -35.538 89.309 49.600 128.846 -76.630 88.119 48.247 130.373-107.269 87.497 55.825 107.070 -66.643 89.591 71.361 152.395-135.410 89.012 63.758 134.049-140.772 93.385 76.216 99.794 -82.829 91.936 0.000 128.090 -76.257 # 98 total E -9.02459E+01 rmsd from N 0.000 %NC 0.00 1 123.186-105.289 146.093 -18.853 131.626-121.140 139.867 -33.971 93.792 49.931 142.012-149.961 91.001 52.865 129.932 -75.942 89.570 49.717 138.025-114.149 90.520 43.624 113.044-127.382 90.047 46.989 107.909 -65.009 88.802 59.814 136.332 -82.928 89.713 73.058 142.062-132.574 90.730 94.957 118.459-143.591 114.805-121.114 163.270 -17.029 95.000 55.460 93.837 -93.367 93.603 73.726 105.458 -90.471 93.182 109.105 143.692-158.078 93.628 55.496 133.306-154.737 101.569-169.280 135.991 -91.374 94.095 59.894 157.611 -42.497 91.994 73.815 137.581 -99.865 95.107 83.936 63.842 -91.057 139.992-174.578 170.640 172.892 94.404 64.005 0.000 0.000 93.121 49.200 105.965 -79.163 91.429 53.879 138.005-109.539 90.876 57.752 122.248-122.790 89.742 74.836 112.493 -73.941 91.494 87.057 152.078-159.195 93.727 81.571 131.784-132.425 117.803-110.012 111.423 -84.406 97.135 71.198 147.866 -23.587 124.639 105.975 120.375-122.646 157.111-149.369 136.452 -90.555 129.962-153.907 135.821 14.948 135.395-168.278 164.141 -75.557 133.533-151.714 158.839 -86.218 140.155-176.011 168.534 172.063 115.329-100.005 128.082-137.429 91.737 16.517 148.904 -23.312 94.103 58.637 129.706 -76.269 137.695-159.408 137.126 30.394 128.808-159.878 167.018 -76.656 131.318-152.584 162.531-113.938 135.082-164.405 132.609 -81.045 126.021-165.810 152.738-159.616 149.363-150.182 168.600 157.844 117.775 0.087 152.035-136.014 91.931 0.000 128.248 -76.018 # 99 total E -9.68879E+01 rmsd from N 0.000 %NC 0.00 1 123.109-102.905 145.938 -16.507 129.211-113.350 133.323 -27.727 93.368 44.335 141.512-154.637 90.318 52.833 130.638 -77.454 87.745 54.579 134.304-143.989 87.807 50.880 120.516-132.833 87.909 52.691 115.391 -63.937 87.104 58.907 133.617 -76.426 88.264 69.183 141.111-110.052 87.525 87.331 111.756-142.375 92.617-147.954 129.497 -87.123 93.069 69.556 129.456-152.953 89.719 57.340 104.021 -85.309 91.069 93.090 143.960 -43.607 91.136 80.373 129.447-172.584 92.854 102.518 104.039-117.724 138.615 177.644 130.741 -76.966 92.742 -4.298 137.372-102.188 109.996-148.379 76.878 92.308 131.324-125.572 152.443 -20.237 96.157 44.794 0.000 0.000 91.958 50.502 112.093 -76.505 91.368 51.197 145.424-114.617 91.071 44.347 122.997-118.976 90.853 55.535 115.535 -77.254 90.263 66.284 138.157-137.058 91.818 68.687 134.525-134.489 94.438 98.312 141.531-127.499 139.494-174.567 116.615 -81.877 94.693 6.837 99.412-113.190 110.166-173.491 118.399 -78.634 145.463-150.867 137.099 -2.032 107.927-164.614 117.835 -76.066 145.572-137.114 148.731 -86.830 130.580-169.474 106.768 -89.648 116.166 -84.126 140.421-131.509 92.733 -0.041 143.783-125.146 94.261 78.032 130.103 -76.179 134.843-148.659 145.845-169.067 124.124-169.071 150.025 -81.771 146.165-134.306 157.154 -70.410 117.583-164.102 110.644 -58.802 139.507-176.989 174.016-166.315 130.216-174.749 153.150-175.390 128.003-170.902 112.841 -72.534 92.279 0.000 129.512 -76.164 # 100 total E -9.29296E+01 rmsd from N 0.000 %NC 0.00 1 123.588 -98.005 143.037 -4.504 128.833-120.551 136.967 -28.821 93.950 46.116 141.195-160.356 90.663 50.154 130.253 -76.055 88.464 50.761 139.119-138.245 88.436 44.723 121.488-127.778 88.680 50.388 122.474 -97.938 88.032 52.566 142.298 -75.131 90.222 61.503 136.869-108.515 93.405 75.301 116.564-134.809 134.306 177.184 150.359 -98.467 91.857 68.550 129.641-153.662 94.918 109.415 101.560 -83.484 91.303 69.788 143.899 -43.472 91.937 74.182 139.968-144.694 94.728 103.825 120.961-114.512 139.866-171.702 145.976 -98.684 93.285 0.145 136.451 -97.503 123.781-169.995 105.771 43.544 118.138-144.253 154.722 -16.256 95.600 51.960 0.000 0.000 92.134 69.043 119.638 -81.187 89.147 76.965 142.845-100.935 89.796 71.582 111.173 -93.725 89.157 90.453 111.696 -74.891 91.711 82.073 126.271 -98.139 93.047 105.148 129.700-131.612 117.905 -87.675 121.684 -94.038 98.417 83.930 147.086 -21.998 134.147 169.884 99.601 -87.451 96.038 60.033 130.934 21.873 93.118 92.065 133.679-106.455 96.430 7.929 108.908 -68.453 136.004-140.768 146.858 -71.638 89.619 50.896 100.372 -82.853 89.678 62.442 149.325-116.595 89.441 46.225 127.588 -46.781 89.383 43.110 129.154 -76.085 87.738 51.131 107.760 -40.041 89.258 48.165 126.357 -76.910 88.259 47.250 136.358-102.130 89.277 51.587 104.006 -61.879 89.581 61.731 137.561 -82.416 90.805 68.655 129.696-149.410 94.559 63.485 99.485 -82.594 91.933 0.000 129.162 -76.318