jlee = 1 nbank = 100 nstep = 100 76929 0 2507.28019 # 1 total E -3.86503E+01 rmsd from N 0.000 %NC 0.00 91.719 55.388 134.610-113.122 134.104-170.261 127.095 -44.278 141.552 -55.755 136.459-100.701 132.034 -56.142 101.764-111.821 117.111-175.226 147.122 -77.383 141.659 -69.138 129.920 70.626 92.407 15.004 102.396 -93.904 113.900 -49.894 144.284-128.851 131.094 -0.472 0.000 0.000 126.227-100.477 123.723 94.902 142.626-138.929 100.932-120.880 129.508 -89.355 148.854-126.544 135.179 19.341 137.086-152.523 131.797 -59.944 113.873 -84.756 91.675 60.176 151.261 147.120 90.190 43.035 103.215 16.616 91.977 57.366 113.442-122.909 90.796 65.826 159.308-112.833 95.510 -41.025 120.885 169.393 111.268 160.067 154.388-132.585 135.612-157.281 100.953 -95.492 136.033-168.189 129.975-104.096 93.396 73.409 142.875-127.758 114.316 167.495 130.231 24.132 129.575-177.510 149.989-163.268 123.424-175.661 115.404 -93.772 127.986 175.485 0.000 0.000 120.018 0.000 137.006 169.325 # 2 total E -3.83948E+01 rmsd from N 0.000 %NC 0.00 121.460-153.893 130.091 -98.695 129.564-121.049 102.366 -75.674 95.191 81.386 123.389-123.564 96.296 136.922 130.216-119.554 124.787-161.332 121.550 -24.347 123.300-148.294 104.110 -72.124 131.646-165.700 157.264-176.364 125.066-179.174 142.808 68.300 133.304 -29.840 0.000 0.000 115.863 -32.742 137.048 156.615 95.860 178.095 143.347 -73.596 142.788 179.727 176.455 120.948 92.144 60.775 149.824 -31.769 114.066-158.903 115.314 -81.930 128.866-119.904 148.637 -28.506 131.795-142.509 150.615-125.889 120.074-109.544 150.990 -51.370 121.077 167.663 88.261 -87.414 92.812 79.930 90.689 74.458 93.810 101.136 90.281 -98.565 146.053 -78.997 176.438 136.564 120.986-162.627 123.307 -89.296 93.735 78.012 120.578-123.168 115.915 168.902 96.775 -74.985 127.646 175.913 170.880 167.041 126.475 -70.345 131.070-119.102 135.248 -85.624 0.000 0.000 115.970 0.000 137.923 -37.891 # 3 total E -3.69257E+01 rmsd from N 0.000 %NC 0.00 122.728-124.472 147.426 -49.418 127.410-100.519 134.101 -23.191 94.007 80.142 128.188-118.584 94.549 111.899 133.343-104.699 129.502 -97.863 142.517 -97.713 125.366-178.095 148.489 -51.026 120.933 101.592 136.684 -87.613 124.931-102.449 128.003 116.384 95.693 164.468 0.000 0.000 93.539 77.994 115.571 -52.429 96.000 161.979 153.052 2.579 115.538 167.181 149.113 167.300 93.067 76.476 132.444-137.544 115.871 -33.007 151.822 -11.285 92.254 65.826 141.980 47.240 93.414 30.093 141.969-145.048 92.958 53.521 132.964 -58.770 90.921 45.546 126.542-132.805 91.759 47.759 96.355 6.122 91.613 43.490 137.510 -7.656 91.747 51.327 127.957 -95.471 92.631 40.927 123.908-108.579 92.711 57.241 129.448-170.831 93.302 87.509 131.191 -77.099 133.557 -84.719 153.773 159.604 124.071-174.782 126.679-118.796 136.959 -85.206 0.000 0.000 116.850 0.000 131.376-160.949 # 4 total E -3.60993E+01 rmsd from N 0.000 %NC 0.00 91.738 -2.107 100.479 -86.041 92.216 160.136 123.199-142.243 131.910 139.242 125.708 134.417 115.168 -40.999 163.015 -14.224 130.005 -13.911 143.148 -81.324 141.056 -81.650 154.097 -32.227 128.639-146.857 176.447-117.745 120.681 -59.687 125.891-108.487 95.028 75.055 0.000 0.000 114.033-163.101 97.294 -63.673 122.314-177.110 117.610 -88.851 130.180 170.306 101.858 -95.893 122.107 90.144 128.019 134.947 115.519-107.781 108.705 -84.274 92.699 52.044 162.086-175.218 92.619 45.063 130.860 -41.317 93.184 42.327 151.078 -55.602 92.808 48.340 114.409-106.945 93.578 40.433 125.812-177.354 95.426 75.637 140.596 -28.482 146.959-106.720 176.459 23.963 134.975-167.947 176.425 173.981 117.919 -58.437 160.437 142.797 117.958-155.107 123.294 -51.080 135.704 -90.766 136.951 150.175 127.992 -70.375 130.239-119.096 136.379 -88.040 0.000 0.000 117.026 0.000 132.258-168.541 # 5 total E -3.40178E+01 rmsd from N 0.000 %NC 0.00 91.708 58.282 138.034-103.502 122.121 176.948 129.305 -18.964 126.761 172.206 85.364 -72.382 133.459 -82.279 144.215-102.923 107.374 17.738 150.942 -77.270 112.348-141.811 138.303 61.095 132.837-161.728 134.558 88.291 118.893-178.109 121.440-117.168 148.170-104.249 0.000 0.000 126.479 20.880 117.593 133.997 128.572-153.568 130.763 -95.787 112.635 -63.697 159.118 -96.636 92.489 -24.826 124.913 20.081 93.575 102.732 143.314-139.851 128.321-111.230 151.504 -5.694 126.518 -0.417 48.038 -58.544 123.527-124.344 140.987 -28.986 127.317-138.204 142.754-148.787 114.169 -30.249 81.636-108.422 92.856 163.211 173.509 -7.381 96.414 51.863 174.570 165.087 117.836 174.561 166.919-174.543 93.738 69.187 86.521 -82.609 133.113 148.039 104.706 -93.657 147.168 -80.368 147.047 106.987 132.557-173.288 150.274-148.678 136.320 -89.598 0.000 0.000 117.163 0.000 131.101-176.176 # 6 total E -3.26482E+01 rmsd from N 0.000 %NC 0.00 91.715 53.573 139.197-106.933 92.655 99.864 110.046 -31.493 134.372-104.765 67.863 -84.020 123.729-164.589 133.202-106.714 137.457-111.711 136.025 -99.529 105.918 178.283 121.813 -52.959 136.102 89.577 155.783-160.295 92.417 110.323 133.439-106.018 129.062 -28.980 0.000 0.000 108.991 -15.297 119.184 -33.700 141.122-160.746 151.608 -73.981 123.573-175.992 176.464 154.472 92.918 67.444 124.011-154.111 112.829 172.644 137.538-153.440 113.054 81.870 135.139 163.185 92.934 -51.896 80.674 -40.826 111.314-164.954 135.426 24.387 118.849 173.098 144.630 -24.391 92.878 89.274 101.971 125.014 122.274 -57.772 143.660 -35.121 117.382-155.290 158.242 16.148 120.432 -78.949 91.701 -43.219 114.773 -10.966 155.333 -37.606 117.655-176.993 75.556 124.381 94.727 71.874 138.527-129.376 126.207 -91.473 140.296-128.330 135.052 -93.274 0.000 0.000 117.382 0.000 131.593 179.543 # 7 total E -3.24034E+01 rmsd from N 0.000 %NC 0.00 122.797-138.517 138.129 -70.390 125.832-163.291 126.647 23.486 134.614 -71.072 153.344 158.758 127.243-155.449 134.080-112.534 134.268-161.959 128.158 -41.953 110.538 177.540 70.339 -92.970 122.573 177.663 136.301-116.701 126.936 -60.924 162.679-137.951 119.369 -16.960 0.000 0.000 92.869 112.925 81.102 103.034 93.529 102.540 99.675 -90.161 136.432 172.594 176.466 144.625 92.714 67.754 127.373-172.689 118.023 177.099 110.522 -79.659 128.473 169.913 146.114 126.852 122.492 62.735 124.707 -41.440 99.455 -58.891 144.156-151.280 91.585 -27.261 149.480-141.085 93.653 115.885 108.730 -13.202 125.613 -85.048 158.145 174.213 130.784 -61.113 80.623-100.638 114.971-179.305 133.948-112.479 116.643 83.953 127.139 114.323 106.960 162.261 89.725-114.646 136.779 178.560 146.626 176.547 126.633 -70.056 151.361-109.701 137.132 -85.507 0.000 0.000 116.149 0.000 139.728 -35.323 # 8 total E -3.12424E+01 rmsd from N 0.000 %NC 0.00 91.732 57.859 138.915-107.171 116.355 173.157 152.349 -83.773 94.629 76.371 157.653 4.449 123.075 167.249 131.438 -41.697 92.183 81.688 130.320 -77.338 125.670 -86.995 147.082 -53.638 125.964-166.240 159.835 -65.158 124.239 -82.201 127.334-118.146 122.007 179.767 0.000 0.000 128.832-138.667 110.541-128.109 125.898-148.556 128.686 -95.658 146.869-168.651 48.929 -91.708 116.309-169.013 96.995-115.376 114.058 -65.994 113.187-162.680 92.845 -22.469 126.776 -36.229 93.799 97.131 132.541-128.483 127.288-130.179 143.937 -21.043 127.162-168.173 140.311-131.694 126.221-164.686 145.483 -1.989 93.669 46.300 91.871 -82.945 126.924 178.246 161.198 5.775 117.724-177.849 138.979-105.361 128.190-178.776 153.963-125.055 126.605 -78.554 116.436 81.361 127.684-168.274 163.496 164.314 126.158-172.651 116.549-110.707 95.605 105.216 0.000 0.000 117.429 0.000 131.341 -45.042 # 9 total E -3.10031E+01 rmsd from N 0.000 %NC 0.00 91.718 58.175 139.124-107.942 118.206 170.039 152.639 -85.837 122.924 111.097 143.700 2.512 128.704 -99.491 132.037 -91.678 129.939-161.555 157.945 -84.690 128.791 -80.397 140.517 -61.833 126.839-168.839 156.786 -71.460 123.819-177.368 124.318-116.532 126.866 169.189 0.000 0.000 124.513 177.021 138.232-158.957 127.408 178.327 133.911 -86.726 127.683 174.832 113.943 -88.256 126.630 179.930 111.887 -42.529 129.621-167.680 176.424-174.600 123.462-141.207 152.135-109.684 132.706-163.824 147.115 153.257 127.271-144.423 143.069-106.240 121.715-170.864 131.669 24.348 118.913 -63.642 127.019 148.490 91.973 -22.078 139.632 -23.689 95.122 96.867 176.487 178.400 128.168-136.330 122.524 -68.016 123.913-166.352 144.867-177.192 131.075-138.754 165.609 111.624 128.085-164.673 176.446 148.084 121.717-175.541 151.742-129.876 135.581 -79.172 0.000 0.000 115.981 0.000 129.914-110.500 # 10 total E -3.09655E+01 rmsd from N 0.000 %NC 0.00 122.060-149.633 132.991 -82.432 113.389 116.875 122.537 19.055 136.489 -94.589 80.338 -88.368 94.203 80.494 128.618 -93.826 143.263 -69.978 150.818 -84.205 132.555-158.696 145.304 -68.359 126.010-149.186 175.297-120.826 121.405 -73.975 127.409-113.305 147.188-161.710 0.000 0.000 121.647 -91.471 118.743-146.668 132.050-178.496 131.747 -71.350 122.709-112.213 131.811-108.513 93.022 41.685 122.871 145.310 95.979 145.632 95.284 -79.490 143.187 174.790 141.740 -48.599 118.200 -53.874 83.328 -47.774 114.387-157.697 137.320 -25.487 128.036-167.564 129.583-129.971 124.007-159.501 121.047 -23.089 130.622-169.843 173.636-156.125 116.038-155.863 156.784 28.655 94.796 39.933 159.755-159.081 92.612 69.003 114.704 -83.788 93.107 79.102 124.856 -58.373 117.779 167.186 140.101-145.532 124.253-177.894 159.826-133.974 136.421 -85.248 0.000 0.000 115.830 0.000 137.857 -37.984 # 11 total E -3.04576E+01 rmsd from N 0.000 %NC 0.00 91.706 58.815 140.663 -92.730 93.800-149.204 123.270 18.606 109.492 -28.391 123.920 -32.527 116.761-155.284 170.046 -87.608 130.043 178.914 168.514 -81.122 110.260 -61.066 125.830 -59.305 98.733 -22.795 131.191 -76.989 94.148 103.990 121.201-120.608 94.305 147.486 0.000 0.000 142.897-145.768 70.186 71.012 128.991-150.224 171.626 -72.261 130.830-127.007 111.244 -54.464 134.449-166.397 137.942 120.109 117.583 -40.776 158.440-151.584 115.099-135.418 144.391-140.980 138.089 129.002 139.195 22.348 103.482 -80.414 98.253 -68.638 92.032 62.898 138.415 -49.434 93.743 136.399 94.844 -15.375 143.705 -93.078 103.421 -78.981 130.609-164.223 169.205 163.554 127.494-159.283 164.643 -92.027 125.182-129.918 115.380 104.216 135.426-145.530 133.283 117.487 129.685 -88.010 72.986-101.034 127.794-173.978 122.864-128.234 137.568 -81.876 0.000 0.000 116.461 0.000 131.776-140.413 # 12 total E -3.01365E+01 rmsd from N 0.000 %NC 0.00 122.951-129.555 142.723 -45.225 124.383-162.827 128.082 32.384 134.517 -86.519 134.504 109.715 136.133-172.800 126.522-129.061 123.060-173.376 144.409 -71.635 126.382 169.406 102.310 -77.551 132.087 106.226 160.385 -94.874 124.631-105.544 135.419-128.842 149.458 -74.440 0.000 0.000 141.719-164.504 130.493 -31.825 126.314-129.197 139.749-130.334 132.776-172.625 159.619 7.020 118.886 -62.961 156.370 51.251 92.474 -23.544 140.787-135.629 94.235 94.707 120.121 -77.167 130.021-127.179 144.200 167.714 131.458-164.307 137.819 -26.115 123.394-138.457 146.430-160.084 125.504-125.033 173.558-143.741 116.063 -49.459 122.473 -77.463 117.875 175.717 160.519 3.850 121.051-178.808 159.375-142.797 128.460 177.186 162.018 114.882 126.920 173.221 131.013 -88.838 94.975 76.857 128.057 -44.354 131.345 -97.143 134.824 -87.119 130.829 -18.011 0.000 0.000 115.033 0.000 128.419-145.526 # 13 total E -2.99534E+01 rmsd from N 0.000 %NC 0.00 91.771 -4.969 106.212 -52.905 134.391 -58.090 150.201 -51.694 120.778 74.842 86.605 -88.701 123.238-155.129 140.323-119.898 104.701 -38.309 144.237 -94.389 91.087 -77.508 138.983 -90.511 93.264 76.963 163.662 88.841 96.014 51.273 115.659 119.778 143.309-147.166 0.000 0.000 118.628-165.381 122.355 124.613 138.967 174.374 123.990-121.110 94.114 79.843 121.683 -48.768 128.110 -84.775 79.734 -88.616 113.684-162.580 152.377 -21.073 127.237 172.461 157.945-109.759 94.108 85.426 95.771 24.517 115.883 -60.535 137.447 -5.045 111.295-168.385 113.186 -41.678 127.106-122.559 136.065-133.009 92.588 56.491 157.455 -0.307 93.042 83.426 83.426-109.099 115.199 -53.191 140.877 -81.020 92.418 75.645 108.051-109.210 93.612 28.951 132.426 -42.765 96.005 76.240 140.722 -52.555 128.730-100.978 155.737 159.208 133.529-144.509 0.000 0.000 119.157 0.000 135.520 167.127 # 14 total E -2.93593E+01 rmsd from N 0.000 %NC 0.00 122.648-132.780 144.893 -74.352 124.736-169.318 131.118 3.335 132.352 -86.778 147.236 148.929 127.755-167.724 137.408-105.006 126.702 175.281 145.528 -85.929 119.170 104.718 84.837 -93.978 128.978-100.094 172.765-157.110 124.841-175.994 118.966-111.316 125.596 170.055 0.000 0.000 113.326 176.369 151.349 59.619 138.476 -73.493 149.460-105.076 131.443-145.210 131.832 -69.854 92.973 72.140 162.990 107.797 95.224 97.154 143.141 -44.485 100.509 -77.471 136.207 -85.196 92.715 -32.264 136.175 -95.347 112.684-150.381 133.413 17.702 127.969 -82.926 131.658 -57.193 123.758 -70.077 117.659-108.004 93.485 77.927 97.455 -80.304 116.586 164.528 122.324 -85.067 123.631 160.658 118.382-102.262 93.752 54.839 101.711 -82.850 127.252-169.159 141.115 -18.737 127.475 -80.579 150.849 106.164 123.167-173.355 127.673-119.336 95.813 91.962 0.000 0.000 117.430 0.000 138.631 -37.389 # 15 total E -2.89676E+01 rmsd from N 0.000 %NC 0.00 91.725 55.408 138.209-104.486 93.283 -74.848 104.874 -40.804 128.130-173.053 156.501 178.358 126.642-171.215 168.145 -48.612 135.338-151.945 152.943 -73.922 128.233-164.925 170.272-157.339 126.800 103.028 129.209 -79.494 116.306 -1.890 117.014-110.301 108.914 -11.037 0.000 0.000 110.436 -72.834 112.762 -30.625 120.773-148.959 164.472 -84.032 132.693-156.062 152.256 8.436 122.349 -68.679 122.550 144.542 94.854 -50.408 134.008-131.240 126.690 -13.091 142.889 -17.555 93.473 96.494 139.205-133.298 92.792 44.137 114.833 -45.283 114.724-106.190 129.629 -42.039 92.964 88.975 121.853 167.332 133.856-179.228 149.253 -36.807 110.597 163.135 176.480 166.145 94.599 60.138 131.405-105.877 129.935 -97.010 138.902-120.386 113.904-172.520 84.951 101.942 131.236-177.726 145.683 155.121 125.357-175.855 128.442-108.846 135.677 -84.917 0.000 0.000 116.852 0.000 131.260-160.044 # 16 total E -2.82604E+01 rmsd from N 0.000 %NC 0.00 91.674 75.621 132.773 99.290 121.200 -59.802 146.738 -73.659 116.959 72.790 142.142 1.905 121.448-117.560 136.669-112.821 119.132 161.898 167.812 -72.965 93.572 101.615 85.182-104.460 136.797 -90.540 136.956 -98.681 120.523 -55.518 114.984-111.614 94.699 81.572 0.000 0.000 92.882 120.933 108.332 -39.668 128.967 -68.082 136.049-107.890 146.957-150.549 122.755 -94.751 124.005 -46.104 144.503-126.121 112.369 71.186 152.547 -20.032 100.922 -78.636 136.541 -86.839 110.903 168.416 105.827 -23.886 142.314 160.390 141.119 32.317 92.552 73.990 144.988-153.347 131.659 -62.450 117.699 -15.679 94.983 143.566 157.071 -23.071 94.062 111.834 139.556 -38.322 134.877 -64.643 164.903-121.229 104.989 -32.062 91.372 -97.679 93.477 141.048 81.626 -89.254 93.936 77.055 172.862-174.118 127.851 177.839 139.841-126.350 136.591 -85.865 0.000 0.000 117.009 0.000 131.810-162.780 # 17 total E -2.78448E+01 rmsd from N 0.000 %NC 0.00 91.720 58.332 139.255-109.777 120.798 177.688 154.861-110.256 124.951 168.973 128.581 -22.455 110.942 157.523 124.700-124.432 124.188-166.410 132.082 -61.204 128.747-160.939 130.360 -66.806 138.405 -84.786 169.823 132.157 135.687-162.601 120.932-109.742 123.725 174.841 0.000 0.000 93.689 91.396 113.769 -26.609 113.182 -56.825 166.080 -75.363 117.958-162.190 175.863 162.683 135.952-161.487 143.804-151.824 115.471 -56.686 148.387-159.297 92.625 73.690 109.195 -74.380 112.040 165.134 140.119-146.922 113.994 100.348 138.345 -17.388 93.147 164.124 116.666 -27.647 94.296 63.630 135.966-119.546 127.160-169.786 175.705 -1.221 94.272 79.855 139.662 29.865 128.623-174.243 123.113 -91.848 103.289 -44.993 89.213 -93.313 114.444-164.251 96.613 87.282 131.286-177.513 153.026 157.384 124.244 -67.516 126.744-111.824 128.920-143.521 0.000 0.000 119.167 0.000 130.702-170.508 # 18 total E -2.65397E+01 rmsd from N 0.000 %NC 0.00 91.715 53.961 139.096-108.421 91.730 86.902 176.494-119.438 92.417 46.829 126.399 -21.978 92.669 50.143 161.989 -95.729 91.159 48.521 125.885 -73.814 92.020 62.736 172.987 -32.994 92.686 73.130 134.656 -89.649 93.367 39.672 130.808-121.474 132.988 -17.496 0.000 0.000 115.600 -79.915 127.812-155.821 113.556 179.863 171.296 -58.680 94.839 79.968 106.987 -84.737 120.480 -49.451 144.518-151.342 93.637 173.838 145.375 -43.436 93.535 92.623 99.118 157.590 93.858 1.019 139.234-111.745 99.117 -84.015 108.903 -55.315 93.657 174.629 124.009 -12.493 92.587 85.861 89.994 -34.170 118.150 159.596 142.719 -5.587 118.943 173.504 173.992 164.521 125.186 177.279 163.171-120.277 124.437 171.597 156.630-118.444 122.096 105.022 126.400 -60.582 131.231 -99.518 158.840 11.699 124.892-174.598 124.467-102.331 136.140 -84.927 0.000 0.000 116.785 0.000 131.485-162.046 # 19 total E -2.49076E+01 rmsd from N 0.000 %NC 0.00 91.711 58.148 137.952-104.407 123.170-179.548 134.270 -6.915 127.507-177.799 160.326 170.847 123.853 -77.459 169.644 -88.551 124.442-177.021 144.946 -74.005 124.949-179.039 95.608-112.451 118.881 81.736 132.395-100.333 114.550-159.349 121.062-119.392 135.375 171.154 0.000 0.000 116.183 127.425 69.703-100.088 135.621 -96.835 123.114 -56.683 113.909 -44.855 95.356 -57.121 94.236 65.889 112.640 -52.877 116.941 158.495 150.053-150.821 140.625 175.506 146.272 -41.177 119.353 -73.978 108.905-142.054 113.321 -42.495 138.832 -52.661 92.460 105.808 147.102 155.524 116.231 -50.651 132.289 15.399 114.507-169.077 156.218-131.608 139.604 -87.983 151.138-148.223 130.107-167.728 146.745 70.026 114.405 -38.475 127.751 124.307 95.146 -47.972 133.592 35.514 94.133 92.915 130.987-113.987 123.331-111.212 119.092-110.461 128.176-105.145 0.000 0.000 117.159 0.000 154.665-150.115 # 20 total E -2.47229E+01 rmsd from N 0.000 %NC 0.00 91.724 58.315 139.722-110.419 120.972 178.321 153.367-113.857 127.830 175.320 136.767 -9.511 119.966-179.945 136.707-114.123 128.782-178.857 152.249 -89.314 124.971-178.766 121.912 -73.851 127.049-176.324 164.333 -99.899 121.429 178.016 127.111-106.698 123.051 60.308 0.000 0.000 120.569-177.935 127.986 -51.189 122.320 178.967 146.298 -94.460 92.999 62.953 146.614-140.570 91.951 44.433 109.833 9.779 92.806 47.624 145.314-149.211 92.067 45.623 116.363 -56.206 92.801 63.925 140.502 149.297 93.300 89.963 125.151 -24.511 118.009 -78.499 153.948 -6.037 128.942 -68.432 111.927 -28.861 91.717 88.918 131.797 -28.963 91.917 52.906 112.441 -91.505 93.579 37.763 131.224 -99.279 93.392 58.626 122.079-140.831 94.379 -18.331 133.045 -66.523 123.633 170.349 84.801 -91.263 125.478-178.399 115.637-125.762 137.075 -85.126 0.000 0.000 115.878 0.000 137.377 -38.026 # 21 total E -2.43091E+01 rmsd from N 0.000 %NC 0.00 122.662-125.161 149.627 -75.267 127.830 -93.649 107.949 -72.580 93.025 53.449 151.382 -95.085 91.355 46.246 144.979 -74.922 91.947 42.843 127.703 -76.572 92.750 52.443 113.300 -64.882 93.734 81.084 132.897-106.328 92.629 123.091 116.797 130.376 141.412 -80.803 0.000 0.000 125.523-175.267 133.667-155.023 128.171-166.704 136.783 -82.207 131.322 -87.619 158.605-171.878 106.797 172.436 135.679 69.854 94.599 82.873 114.654-169.682 137.452 169.050 126.430-146.629 93.731 72.466 134.020 -60.396 105.383 -52.784 142.704 -15.726 106.656-176.304 152.556-139.925 135.958-173.118 107.143 32.070 122.759-176.960 148.193 -15.245 126.247 179.199 176.463 166.355 120.803 178.617 171.652-148.370 92.659 79.242 133.074 119.662 93.095 84.345 103.478 -62.609 114.512 152.116 104.140 -95.449 128.381-176.991 122.935 108.742 140.464 -97.008 0.000 0.000 117.357 0.000 126.481 142.432 # 22 total E -2.33818E+01 rmsd from N 0.000 %NC 0.00 123.185-138.503 133.246 -47.196 118.872 172.763 100.063 -55.541 113.666 43.415 119.783-124.273 95.701 73.070 140.282 -76.487 92.447 -60.899 129.570 -76.105 114.165 179.006 133.138 -93.195 129.011-179.819 148.411 -45.760 93.173 152.862 90.172 99.038 120.482-173.009 0.000 0.000 93.278 92.163 149.196 46.760 94.642 20.106 102.433-116.185 121.498 174.084 61.617 -83.205 145.710-150.790 128.201 -64.490 115.337-169.428 155.189 -18.084 143.590 171.969 160.535 -42.201 115.893 72.033 104.806-133.426 123.394 -97.811 144.579 1.324 92.671 73.783 145.076-113.828 130.889-102.463 130.102-147.899 112.124 109.423 106.372 -75.076 128.110-101.251 162.982 9.047 124.177 161.936 134.924 -82.144 94.278 40.130 124.190-128.527 126.356-145.944 140.561 12.350 129.211-101.542 121.884 -77.445 127.663-170.558 107.639 -76.397 136.022 -82.303 0.000 0.000 116.868 0.000 125.153-154.124 # 23 total E -2.29177E+01 rmsd from N 0.000 %NC 0.00 91.717 58.158 137.885-104.083 122.413 178.776 133.416 -4.315 126.270 175.026 158.344 178.013 126.020-179.318 168.281 -76.063 126.764 174.860 150.029 -80.201 119.916 100.299 101.734 -82.003 128.961-107.300 167.926 119.613 122.913 -67.762 103.405-102.916 122.042 -36.745 0.000 0.000 92.337 87.005 106.960 28.988 94.229 118.201 102.960-114.024 122.088 158.380 136.580-132.303 117.526-179.546 97.273 29.293 115.735-153.767 154.477 -39.242 130.535 -51.261 146.802-161.868 122.847 127.522 129.497 39.357 102.915 -64.606 122.694 -48.490 91.608 65.047 134.942-105.609 110.692-157.908 120.577-143.709 121.009-166.219 170.933 0.856 93.487 85.802 160.912 -0.228 92.006 61.970 118.372 -76.481 92.646 54.410 85.179 -93.058 93.554 79.373 132.107 -39.262 131.165 -84.968 161.532 170.285 118.015 -63.825 124.241-118.166 127.296-149.226 0.000 0.000 119.631 0.000 127.897-171.370 # 24 total E -2.28036E+01 rmsd from N 0.000 %NC 0.00 91.720 54.850 138.248-107.773 92.739 170.184 116.677 -6.541 125.175 172.922 156.287 153.607 121.647-174.751 169.691 -87.340 131.706 171.530 156.073 -94.465 93.763 99.980 110.617 -60.597 126.891-110.010 110.312 -90.101 93.461 19.474 112.225-123.336 140.565 -81.671 0.000 0.000 107.245 160.238 132.742 95.361 95.073 76.986 142.048 -74.778 129.145 -84.755 125.083 -96.682 113.255 166.664 121.716 -13.500 116.268 102.043 141.810-166.317 130.526-110.776 157.491 -19.037 128.160-166.135 157.963 -13.663 129.058-158.529 138.835 6.207 125.370 -64.156 149.129 144.049 111.909 -9.512 128.078 175.700 93.508 170.213 100.191 -78.987 134.240 173.171 162.899 2.781 92.930 60.013 128.361-109.855 108.376-167.024 119.682-121.241 133.649-107.629 165.810-179.043 129.258-162.231 164.425 161.450 127.381-173.534 140.542-130.780 135.501 -84.919 0.000 0.000 115.892 0.000 137.509 -38.613 # 25 total E -2.24457E+01 rmsd from N 0.000 %NC 0.00 91.732 57.626 138.252-110.237 121.668 178.964 117.848 -54.054 129.648-102.568 108.322 -79.382 95.026 52.085 141.943-108.555 91.582 45.986 131.179 -76.485 92.674 62.420 121.606 -58.032 93.678 92.210 135.719 -91.256 122.506-107.970 127.927 123.226 137.094 -97.086 0.000 0.000 135.424 -92.613 126.193-145.294 131.939 174.791 145.824 -85.431 95.319 96.151 96.670 -77.577 128.291 -98.505 114.072-106.879 93.324 72.807 149.975 -31.982 92.608 86.994 109.053 -66.173 141.167 178.675 111.411 -54.884 98.856 171.199 119.792 45.461 130.994-175.823 176.458 4.222 94.024 69.411 121.322-174.460 114.504 156.029 114.116 -81.050 121.225 98.976 150.240 110.059 132.213-119.968 127.921 -77.818 112.388 125.895 135.672 47.126 93.683 107.350 124.415 -89.547 137.993 -90.867 151.116-164.806 127.724-174.948 161.006-162.394 136.945 -84.457 0.000 0.000 116.814 0.000 131.112-158.478 # 26 total E -2.24440E+01 rmsd from N 0.000 %NC 0.00 91.764 -2.602 110.028 -70.541 119.734 -67.661 145.256 -87.891 114.117 70.041 103.205-128.982 119.514-116.459 116.127-132.853 118.634 149.678 154.776 -80.213 125.081 -55.067 140.509 -62.256 123.451-140.022 130.338 -84.232 127.797 81.631 172.422 176.289 121.861 179.989 0.000 0.000 149.437 176.693 158.229 65.021 112.972-179.716 162.907 -29.312 114.684 81.175 146.408-138.215 94.261 95.735 111.341 18.464 96.567 -75.971 118.794-146.183 93.993 -44.809 144.254 161.660 92.802 157.014 116.780 -21.793 93.240 82.309 158.823-123.353 130.950 166.472 126.444 164.408 94.170 113.721 83.145 53.884 125.322 -81.507 132.716 -43.278 94.065 77.021 150.144-100.449 93.062 70.581 138.775-134.014 120.683 -52.472 145.234 -24.938 110.011-164.600 100.816 -90.031 132.496 -95.957 154.947 3.307 133.505 -64.410 132.106-103.860 151.444 115.440 0.000 0.000 118.815 0.000 130.651-123.795 # 27 total E -2.23341E+01 rmsd from N 0.000 %NC 0.00 122.527-123.334 151.858 -80.991 128.305 -94.012 110.352 -65.914 93.168 48.828 122.026 -41.011 91.102 50.979 164.186 -99.418 90.727 47.902 126.636 -74.959 91.111 49.073 113.785 -74.116 92.954 58.885 132.685 -94.459 93.000-105.282 125.176-126.373 95.295 157.775 0.000 0.000 118.459 178.026 136.925 -40.629 122.234 179.607 136.540 -76.800 93.294 80.487 123.602-112.948 92.694 78.240 98.966-125.050 94.396 100.007 103.608 -88.275 128.429 -96.930 141.070-133.753 127.155-168.088 132.453 -34.363 125.525-162.534 142.257 -30.993 125.795 -83.424 162.718 -8.688 125.102-179.172 122.017 43.050 94.369 68.619 98.283 -79.371 113.735 -56.386 158.474 6.438 109.294-174.916 142.779 -97.401 134.478-178.615 151.725-102.914 117.408 177.870 118.101 -52.775 128.845 177.453 147.424-154.235 124.351-176.712 125.617 105.550 135.867 -85.448 0.000 0.000 116.898 0.000 131.711-162.934 # 28 total E -2.21361E+01 rmsd from N 0.000 %NC 0.00 91.719 58.527 138.174-104.628 124.793-172.745 132.542 -4.327 131.258 -96.103 85.970 -72.143 120.902-161.216 136.345-111.546 130.949 -86.003 163.112 -93.011 126.752-169.624 118.886 -77.806 126.726-177.402 164.428-101.768 124.573 -70.822 131.278-105.869 133.842 -40.975 0.000 0.000 126.064 169.683 144.305 -83.147 95.098 85.532 141.703 -73.417 126.958 -73.905 175.294 13.501 92.410 74.879 142.946 -91.033 93.267 93.115 172.586-148.423 93.229 28.431 93.771 -99.883 113.225 -86.048 111.683 -30.427 103.545-177.523 115.170 -52.663 120.122 167.644 131.654-141.980 93.687 70.346 115.263 -20.795 94.708 155.280 138.469-147.199 123.781 161.268 157.508-139.650 95.998 84.876 164.311-147.044 134.862 -98.208 124.411 -50.772 123.904-159.633 106.225 -91.680 130.851 178.087 154.792 155.956 123.839-175.541 122.415-111.939 135.385 -82.956 0.000 0.000 116.767 0.000 128.665-151.983 # 29 total E -2.20637E+01 rmsd from N 0.000 %NC 0.00 122.366-130.638 147.995-122.476 131.548-157.597 141.444 132.489 137.649-148.318 55.020-111.412 125.144-125.039 126.055 -64.123 128.620 -90.110 171.805 -85.735 134.154 -60.035 155.399 -31.199 133.844-168.247 137.210 -91.923 124.961 -60.271 144.968-120.669 117.393 9.383 0.000 0.000 106.701 -40.545 114.587-137.040 96.122 143.748 142.047 -71.999 119.067-162.207 147.286-144.960 125.763-118.459 140.573 127.522 124.237 -91.331 148.808-135.045 130.659 -60.315 151.424 -7.590 137.956-160.352 133.649-102.565 129.389-144.047 141.125 -20.122 122.555 -94.129 161.636-130.554 131.275-171.384 114.375-127.605 118.568 178.785 102.521 -81.617 131.870 175.463 164.796-179.722 128.995 179.696 161.888 -66.079 116.200 178.340 147.757-158.359 131.803-178.633 158.964-123.449 127.374 176.301 106.856 -83.725 126.718 -68.663 126.960 105.927 128.816 95.151 0.000 0.000 118.402 0.000 131.952-160.792 # 30 total E -2.15342E+01 rmsd from N 0.000 %NC 0.00 112.522 -32.053 152.788-107.751 121.247 173.373 130.603 6.651 112.324 50.744 137.697-122.749 95.478 152.241 132.946 -99.595 115.166 103.348 136.929 -98.646 127.690 -97.767 128.954 62.883 125.256-170.164 131.539 -80.947 121.722-176.761 127.573-121.779 130.873 170.236 0.000 0.000 129.495 -94.811 103.203 -52.666 114.877-176.397 121.921 -84.879 93.589 64.144 116.973-111.945 93.432 50.739 119.967-162.293 94.808 75.423 143.572-153.932 128.155 -83.500 140.141-160.581 93.569 103.458 131.952 -58.398 135.180 -70.781 141.177 -46.615 111.967-168.513 147.963 -24.278 93.315 77.973 113.311 160.334 93.006 94.816 134.807-141.319 130.687-102.780 101.890 -93.166 112.764-174.472 138.302-108.910 132.542-174.748 126.065 116.623 129.110-165.969 71.286-104.397 128.535 -93.447 158.126 144.516 129.175-174.322 147.275-140.067 136.281 -86.157 0.000 0.000 116.898 0.000 132.321-167.429 # 31 total E -2.09412E+01 rmsd from N 0.000 %NC 0.00 91.693 38.903 115.490-105.345 93.116 -72.719 107.593 -47.705 128.793-165.501 110.425 -72.819 125.963-158.025 175.765 -77.391 130.309 -68.603 155.109 -86.242 124.786-163.082 130.735 -61.756 128.925-165.570 136.297 -93.614 110.173-178.650 115.822-108.578 143.000 176.504 0.000 0.000 92.935 76.256 120.777-156.465 119.673-154.926 102.740 -86.626 124.165 169.813 121.248 -81.020 110.772 -30.445 107.095-122.221 95.383-114.975 102.617 -87.607 91.208 60.804 146.884 105.670 90.818 53.685 123.523 52.280 92.033 52.266 124.184 -7.750 92.589 61.294 152.838 -35.239 109.132 -59.485 132.074 179.592 114.474-175.979 154.014-166.384 124.653 159.733 176.390 166.380 94.397 83.618 143.155-105.744 128.617 -94.550 122.901-107.662 114.463 170.781 124.619 -83.732 95.161 83.864 161.770 -3.319 128.378 179.285 130.345 121.752 136.080 -85.706 0.000 0.000 116.915 0.000 132.140-164.879 # 32 total E -2.08885E+01 rmsd from N 0.000 %NC 0.00 123.161-134.906 137.425 -45.852 121.443-172.408 131.493 32.776 142.959-171.734 149.695 97.846 94.676 69.027 141.112 -72.271 136.115-105.129 108.198-107.716 115.850-174.365 98.664-112.833 125.724-172.985 171.054 163.980 126.486-178.103 130.334-103.423 124.788 172.573 0.000 0.000 93.755 87.898 134.910-151.279 123.217 171.483 125.375 -88.546 94.303 61.332 111.859 -84.150 107.307 160.600 141.755-164.447 130.224 160.947 162.290 -13.779 93.184 67.436 130.110-104.070 129.359 -79.792 106.588 -33.397 117.898-157.047 140.209 -28.037 125.760 -75.798 153.254 -13.392 128.147-166.515 134.878 -58.012 120.562-168.459 103.674 -74.677 132.214 -39.626 175.648 152.986 124.648-146.197 157.475 -80.295 129.168 -67.360 157.104-175.685 121.145-166.142 122.734 109.321 125.088 178.222 128.897-130.160 128.430 -68.217 151.621-133.914 129.039 94.416 0.000 0.000 117.313 0.000 136.943 -37.436 # 33 total E -2.03861E+01 rmsd from N 0.000 %NC 0.00 91.718 58.027 139.348-109.127 120.263 179.798 153.598-101.919 121.296 168.711 142.999 -17.164 95.402 80.996 139.475-110.835 92.193 113.326 131.213 -76.461 126.569 -95.434 107.277-111.829 125.274-169.786 135.959 -73.047 123.800-171.988 124.360-119.830 137.974 -63.093 0.000 0.000 134.914 87.659 133.197 -23.758 130.085 -96.167 137.500-103.499 129.078-175.354 158.089 6.649 124.758 176.853 148.967 37.877 124.073 179.587 153.431-167.601 125.556-167.518 153.885 155.376 130.425-153.190 141.319 -16.572 127.441-156.442 147.681 -32.702 132.857-164.910 176.364-173.677 106.664 -36.833 134.949 171.912 91.414 -81.409 131.451 -37.117 91.639 71.220 132.322 -97.748 94.380 57.115 122.027-105.369 112.348-171.696 125.340-121.814 129.289-162.076 131.051-121.548 130.832-156.987 154.059 109.240 122.225-177.632 122.777-122.668 136.198 -85.363 0.000 0.000 116.904 0.000 131.372-160.781 # 34 total E -1.98294E+01 rmsd from N 0.000 %NC 0.00 122.535-127.060 150.253 -95.017 126.297-168.028 152.790-108.399 131.562 -90.038 140.384 -2.891 125.231-169.092 130.200 -78.953 109.103 85.459 142.100 -85.709 93.060 119.754 80.954-101.592 127.590-109.579 158.934-109.583 127.162 -76.129 122.951-111.334 135.361 -17.336 0.000 0.000 131.569-110.940 138.044-174.826 128.677 -96.161 139.478 -89.364 130.332-163.682 126.435 -69.013 112.755 176.344 110.153 -27.479 128.732 173.024 106.226-103.407 112.592 82.518 143.651 163.441 115.487 -65.135 95.965 -47.072 99.600-174.699 120.038 -52.024 128.718-178.180 144.044 -38.236 108.705-166.446 103.272 11.276 129.768-166.597 176.428 13.054 94.832 101.978 155.890 -18.188 94.305 -15.261 105.803 -76.877 96.204 -71.310 95.121 -78.332 94.783-171.844 136.660 -98.681 130.640-177.569 143.733 1.081 112.550-173.222 117.179 -96.352 131.917 -67.458 0.000 0.000 116.097 0.000 108.686-127.132 # 35 total E -1.93502E+01 rmsd from N 0.000 %NC 0.00 91.713 57.684 137.869-103.357 116.112 173.053 150.273 -20.334 94.245 82.132 123.692 13.740 123.407 171.148 132.282-106.755 124.957 179.626 139.024 -80.015 116.669 76.147 109.470 -74.178 125.219 172.317 176.443-169.362 128.005 -75.039 101.173 -99.146 128.732 -15.809 0.000 0.000 106.651 -42.260 116.512 36.522 94.674 161.412 142.143 -72.442 121.318 173.636 151.937-174.503 124.343 169.143 134.629 -13.275 120.386 177.669 155.139 -20.481 133.292-178.593 149.253 -58.071 118.342-179.448 91.427-135.542 93.550 74.715 122.514 23.966 108.506 74.200 147.846 -93.260 104.776 -66.135 120.505 136.654 91.881 -36.288 144.150 -29.081 105.547-177.277 105.594 -91.454 124.223 106.244 127.582-106.907 90.043 -53.596 90.699 -60.713 91.768 -32.167 105.260 -74.031 115.441-170.235 105.443 -85.972 116.041-175.052 141.013-106.892 95.865 92.599 0.000 0.000 117.354 0.000 138.225 -35.857 # 36 total E -1.91936E+01 rmsd from N 0.000 %NC 0.00 91.760 123.339 131.552 -40.543 134.926-160.035 131.964 -23.735 117.663 -32.456 102.705 -68.371 121.616-172.167 121.933 -63.350 92.452 80.543 131.058 -78.705 92.328 -41.641 115.916 55.323 111.991-176.534 144.813 -74.213 135.227 178.540 120.957-107.755 95.068 96.678 0.000 0.000 123.618-121.897 130.917-151.352 130.214 -87.022 134.588 -75.077 123.771 -65.905 139.105 129.310 111.842-175.944 126.242 165.417 120.797 168.035 133.535-163.619 121.443 102.817 152.675-128.001 129.590 -97.296 127.237 -41.706 126.651-166.539 139.845 39.312 122.888 173.942 134.642 -17.560 111.972 46.496 132.188-163.548 124.940 -83.432 95.262 -80.013 127.319-156.685 134.205 -88.032 123.805 -91.129 159.722-125.037 92.697 67.888 84.187 -91.740 93.261 105.224 105.957-100.892 135.332-103.592 155.248 160.874 122.404 -69.339 127.338-120.550 127.015-154.373 0.000 0.000 119.739 0.000 129.589 175.122 # 37 total E -1.89654E+01 rmsd from N 0.000 %NC 0.00 121.747-144.492 134.534-115.663 128.073 48.418 121.749 -61.150 150.377 -79.214 176.459 122.452 107.063 -50.625 134.015 -82.872 91.549 59.826 129.899 -76.247 125.693-176.648 97.601 -72.886 132.326 174.922 162.245-154.135 115.592 168.164 97.504 -84.953 139.223 -41.272 0.000 0.000 97.958 -35.154 70.262 -87.212 92.842 116.271 145.215 -75.017 103.146 168.824 118.060 -49.627 92.937 81.080 104.456-135.923 108.439 153.739 116.513-126.213 140.291-170.623 101.095-122.770 124.608 -83.156 61.704-121.781 152.461-168.956 140.544 -36.819 93.680 63.036 135.123-121.942 121.578 167.838 127.618-159.800 122.381 176.616 146.555 -19.962 124.911 175.180 176.411 162.680 122.771 177.760 165.596-138.249 129.874 179.513 153.909 -93.725 114.204 165.294 108.811 -60.719 95.083 88.909 125.533-130.121 124.968-173.151 138.332 129.663 95.775 85.117 0.000 0.000 118.101 0.000 133.846-178.159 # 38 total E -1.88241E+01 rmsd from N 0.000 %NC 0.00 91.722 55.461 139.444-108.112 93.298 -72.837 104.188 -46.108 129.463-159.775 141.350 117.342 128.638-162.007 137.330-124.409 132.099-151.216 131.455 -63.251 93.065 69.636 131.275 -76.284 130.243-125.644 159.724 116.647 125.918 -74.280 136.844-123.795 95.255 165.412 0.000 0.000 127.457-174.413 151.694-117.134 94.323 61.695 135.881 -95.212 94.222 117.528 88.044 -69.152 138.491 172.707 131.717 65.397 93.994 70.109 141.763-139.882 127.517 172.939 148.557-127.546 125.994-167.291 134.799 42.889 127.437-163.676 136.182-167.695 125.503 -83.738 132.032 177.858 133.764 -61.913 151.238 150.900 94.845 -15.087 138.758-121.580 112.855 170.194 176.461 172.266 124.928 90.941 158.750-109.969 123.719-101.770 141.398-142.012 93.909 161.380 79.940 109.482 94.554 90.294 120.613-130.183 127.068-102.879 139.718 127.910 135.587 -86.424 0.000 0.000 116.946 0.000 131.775-165.812 # 39 total E -1.87498E+01 rmsd from N 0.000 %NC 0.00 91.665 77.380 137.699 101.088 118.755-100.021 144.770 26.845 125.668 169.582 142.251 -7.854 97.408 73.689 137.374-113.703 92.792 141.527 136.639 -76.230 93.316 179.913 96.215-124.712 132.567-167.526 159.685 153.570 114.497 169.070 164.529-148.707 129.313 40.762 0.000 0.000 113.518 176.984 137.169 -31.667 125.621 91.796 167.452 -65.327 95.007 22.254 97.294 -78.380 123.159 -62.950 133.843-100.682 94.325-171.007 143.253-134.654 151.540 -58.068 114.770 -66.964 124.296-158.787 128.808 -61.503 131.875-139.581 148.086 -2.747 118.305-173.543 127.687 -17.024 116.040 177.992 96.488 -35.439 119.468 108.767 152.376 -11.015 127.089 -81.386 158.077 15.325 122.268-170.653 158.416-110.057 131.224-175.592 160.872-108.088 119.289-178.133 119.847 -64.214 131.793-179.365 149.867 171.412 126.933 -68.498 127.755-100.281 129.421 92.067 0.000 0.000 118.397 0.000 134.268-175.605 # 40 total E -1.85287E+01 rmsd from N 0.000 %NC 0.00 91.726 57.900 137.569-107.521 124.212 -82.898 139.823 45.309 138.902-151.262 134.569-101.517 131.430-152.263 151.909 12.223 130.456-139.686 150.300 -69.624 94.859 -41.945 120.173 -48.998 115.729-169.696 167.321-106.636 122.840 -67.424 147.070 -85.588 139.169 -29.439 0.000 0.000 117.386 -16.568 68.981 106.601 96.456-179.070 137.885 -69.124 116.933 177.066 118.997-110.351 125.369 39.199 123.945 -25.979 116.583 62.237 153.695 -20.584 109.814 -90.273 125.083 -28.893 119.116-147.085 137.297-139.046 118.948-100.182 143.182 -16.134 91.884 74.600 116.779 -80.334 92.362 79.729 123.722-147.420 122.317-112.034 97.099 -86.070 116.879 152.732 176.445 168.884 93.541 54.270 147.485-100.634 110.038 167.238 138.942-156.655 132.533 178.410 153.948-129.474 126.597 178.770 144.435 -4.426 115.816-177.661 119.161 125.650 135.829 -84.609 0.000 0.000 116.837 0.000 130.400-159.799 # 41 total E -1.83845E+01 rmsd from N 0.000 %NC 0.00 122.731-134.706 141.432 -69.451 123.297-178.568 131.204 -10.656 130.375 177.502 155.266 172.919 127.801-168.221 148.307 -89.008 129.732 -86.793 149.509 -81.612 122.762-179.229 115.709 -63.215 123.799 85.662 123.609-112.139 94.383 157.316 127.333-122.633 123.514 166.368 0.000 0.000 125.261 176.976 139.054 11.596 121.288-174.341 165.752 -96.030 129.650-158.064 158.022 18.057 131.312-103.190 134.242 157.756 131.134-159.481 114.326 -83.824 132.204-132.898 144.181 -62.817 124.932-114.444 45.458 -64.329 126.114-168.738 123.310 48.723 108.338 66.896 153.955-172.988 107.731 -50.888 78.081 -79.286 94.499 179.212 94.408 -76.517 134.008 169.930 119.622 -93.888 93.936 75.907 118.976 -95.011 141.672-122.377 121.974-109.859 121.452-142.751 101.560 127.484 130.487-129.529 141.463 154.376 118.532 175.033 136.829 100.545 139.206 -78.787 0.000 0.000 115.532 0.000 127.127 -78.273 # 42 total E -1.81898E+01 rmsd from N 0.000 %NC 0.00 122.600-126.280 150.260 -72.914 122.847-179.538 128.843 14.645 130.094 167.332 147.062 155.987 96.106 63.906 165.429 -72.037 137.565 178.551 144.360 -64.674 106.805-172.647 78.419 -99.489 133.000-177.855 162.006-168.772 121.402 -7.262 140.246 -98.092 129.075 -14.893 0.000 0.000 93.556 127.497 119.116-156.581 124.280-179.870 127.369-118.832 131.807 174.276 147.502 -20.087 108.723 172.401 142.192 -78.741 116.447 91.700 161.680 -30.121 110.766 -63.291 156.231-139.792 92.396 85.886 141.614 -79.672 92.696 79.863 139.736 -84.340 110.908 -43.215 166.748-105.538 112.533-166.346 115.642 -24.098 127.585 178.465 122.256 -82.072 113.696 170.801 159.840 6.176 122.625 170.857 156.828-150.313 125.901 103.269 146.179 -73.205 128.868 -99.342 104.508 101.108 127.069-174.223 147.618-136.887 125.321-175.694 131.555 118.590 135.959 -85.401 0.000 0.000 116.908 0.000 131.803-163.441 # 43 total E -1.73549E+01 rmsd from N 0.000 %NC 0.00 91.721 58.740 136.861-102.522 126.285 -82.530 124.557 -42.381 112.262 -21.135 97.172 -64.915 93.637 162.949 142.284 -79.327 91.619 86.516 128.753 -76.295 91.251 93.048 86.227-105.395 93.850 88.531 107.238-104.639 93.697 38.637 124.628-126.180 142.916 -82.913 0.000 0.000 125.665-164.648 133.198-160.350 128.471 -95.016 124.166 -69.313 121.964-167.690 165.740 153.999 93.152 63.668 134.073 160.416 94.892 87.253 147.773 -40.382 126.859-111.623 164.646-130.062 93.122 57.178 126.629 -42.528 119.978 153.754 153.120 168.551 130.832 179.215 137.730 152.816 124.920 172.541 99.079 -35.144 119.603 178.419 106.884 -75.343 131.374 173.062 168.308 176.993 130.052-163.143 135.810 71.061 104.601 -58.026 123.507-125.426 96.467 -38.355 135.476 -31.022 94.330 97.905 131.002-115.782 119.684-105.840 122.204 -99.496 125.963 -71.491 0.000 0.000 116.681 0.000 119.414-161.726 # 44 total E -1.72012E+01 rmsd from N 0.000 %NC 0.00 91.658 59.145 147.092 138.492 92.508 45.426 119.155 -70.040 115.507 84.739 131.855-133.558 127.340 -88.205 132.665 -97.037 128.295-169.907 133.763 -40.729 112.221 174.201 97.455 -75.830 133.382 173.584 134.965-108.659 125.928 -72.837 109.623 -90.227 127.516 40.814 0.000 0.000 110.287 11.648 115.894 -37.137 95.123 92.230 136.996 -73.503 125.644 -38.522 149.213 154.331 122.142-172.753 136.808 -43.327 94.141 91.690 151.848 -32.873 123.220 163.008 125.968-132.542 94.174 107.935 104.781 11.606 124.561 -90.140 123.691 -58.340 114.855 72.890 157.847 -21.701 116.330 -75.027 99.063 -34.455 93.530 159.819 142.902 -2.123 93.040 76.093 89.331-110.312 93.168 105.433 131.887 -91.805 92.607 67.451 89.891 -79.977 112.203 170.638 121.506-110.148 134.897-169.543 153.727 127.143 119.277-171.348 107.055-117.741 138.619 -73.491 0.000 0.000 116.418 0.000 109.858-131.786 # 45 total E -1.67030E+01 rmsd from N 0.000 %NC 0.00 122.595-125.806 150.906 -89.201 128.754 -88.812 138.620 -20.198 127.744-165.362 142.696-136.685 128.777 -86.198 141.371 -78.099 129.307-169.835 149.235 -74.084 125.012-178.335 118.358 -75.157 126.737 178.198 161.010 -98.292 125.216 -72.558 127.819 114.391 132.247 -17.612 0.000 0.000 129.275 -84.070 128.534 32.832 123.171-169.657 164.654-100.101 127.326 171.118 153.131 -12.746 93.188 80.992 117.911-164.829 114.540 134.155 145.338 -41.427 128.750-101.857 155.046-124.261 127.567-171.259 111.814-154.111 125.863-173.001 144.513 13.398 118.128 173.907 149.581 -27.339 93.986 99.166 106.490 27.349 94.408 -8.084 143.651-122.784 97.560 -78.726 104.722-123.945 99.653 172.486 141.997 -98.983 91.137 76.986 134.710 147.988 93.179 95.067 99.391 -96.779 121.956 168.724 165.947 3.971 122.559-177.979 117.939 125.008 136.036 -85.301 0.000 0.000 115.900 0.000 137.678 -37.824 # 46 total E -1.66178E+01 rmsd from N 0.000 %NC 0.00 91.721 53.318 138.421-106.799 92.721 98.366 122.362 -49.573 132.690 -93.493 140.820 -2.528 127.450-163.460 135.613 -63.570 123.771-170.897 143.031 -53.286 92.776 68.703 133.125 -76.076 94.302 95.684 113.609 -83.576 126.513 -92.776 151.402 143.195 96.251 53.193 0.000 0.000 93.947 75.805 175.052 172.952 123.927 -64.822 123.863-115.382 92.725 82.606 73.576 -81.200 118.264 23.559 150.905 -77.979 96.324 -34.718 136.546-131.897 121.974-170.187 153.605 -77.299 140.742-154.546 100.682 -50.188 115.955-101.785 136.714 -27.531 93.003 53.493 115.843 -70.922 94.688 74.947 87.222 33.910 96.231 -73.933 136.469 -25.263 116.125-170.124 145.093 -90.647 131.243 -69.877 131.452 -87.044 127.147-171.652 142.932-148.828 126.998-176.605 148.425 -83.452 130.905-178.331 145.318 0.501 114.739-176.717 114.762-112.820 127.080 179.183 0.000 0.000 119.064 0.000 138.549 -35.150 # 47 total E -1.66164E+01 rmsd from N 0.000 %NC 0.00 91.719 55.557 136.625 -96.310 93.409 -75.610 126.427 6.040 124.069 177.259 138.552 -14.856 120.362 120.324 138.343-105.737 129.431 -90.874 120.027 -87.778 95.390 176.695 113.257 -54.286 136.331 174.474 137.112-113.699 93.204 12.772 129.591-111.121 118.075-168.306 0.000 0.000 130.654 175.335 139.650 -41.096 115.941 159.475 163.190 -93.408 121.103 172.902 135.566 -72.202 116.271 133.305 128.530-164.253 116.361 -64.733 101.556 -98.805 111.827-175.542 149.446 -64.170 135.683 172.043 134.548 98.250 93.347 80.774 114.268 -43.400 130.663-124.709 112.622 -69.496 93.229 71.618 118.537 147.159 93.874 114.509 140.342-150.323 98.983 -64.206 142.917 -11.761 94.141 -30.430 117.847 -74.006 102.954-173.438 109.178 -97.984 132.696 -65.477 89.051-137.948 129.177-171.975 143.890 -6.898 113.275-176.333 114.576-115.708 95.802 93.003 0.000 0.000 117.332 0.000 137.995 -36.794 # 48 total E -1.63833E+01 rmsd from N 0.000 %NC 0.00 91.717 59.304 138.896-106.902 125.461 -86.540 152.112 -83.558 127.417-171.371 135.592 -5.383 116.491-174.583 137.080-112.765 133.088 177.879 154.279 -76.227 91.790 105.821 113.716 -51.803 94.164 73.522 125.321-102.053 93.032 98.636 121.934-126.388 111.117 -15.659 0.000 0.000 98.101 -68.005 101.994 -48.129 93.925 163.463 140.236 -70.998 93.438 72.836 136.355-131.221 115.530 161.623 155.126 49.114 117.346 165.731 125.595-171.822 120.503 102.628 148.405-151.956 130.083 -95.821 119.851 -35.508 120.848-172.736 116.851 -68.642 125.046 179.753 141.654-154.730 127.252-110.554 132.615-130.821 93.268 65.484 147.042 -21.200 94.356 111.439 153.018 9.930 121.309 169.790 164.525-151.689 126.038 172.120 162.380 -88.951 113.916 108.828 118.242 -49.279 133.889 -99.599 100.103 -92.392 123.217-174.697 115.091-120.729 136.204 -84.856 0.000 0.000 116.898 0.000 131.063-160.784 # 49 total E -1.59011E+01 rmsd from N 0.000 %NC 0.00 91.688 64.965 120.422 -32.293 125.857-177.747 130.016 -13.929 129.526-108.292 96.637 -77.007 96.077 68.786 138.007-106.961 121.489 -66.294 157.508 -76.991 117.403-170.015 74.165 99.580 127.119-178.015 141.290 -82.873 121.757 -72.759 131.712-122.278 118.294-173.380 0.000 0.000 123.483 178.501 123.313-149.542 127.560-176.557 139.931 -96.643 126.584 164.631 163.202 158.455 119.588 46.876 126.278 -15.366 123.135-120.720 145.524 -53.018 115.365 69.327 147.956 -65.667 93.194 -58.899 138.512-121.303 110.139-177.828 142.658 43.084 118.488 171.623 135.233 -49.113 94.287 89.230 139.364-179.646 119.747 133.031 114.590 -74.850 129.562-105.764 169.861 8.034 130.010 178.254 160.902 -60.921 92.357 60.496 123.504-131.978 113.855 171.786 103.493 -62.372 126.305 177.270 97.953 -88.795 123.336-176.724 117.465 94.428 135.862 -85.460 0.000 0.000 115.923 0.000 137.768 -37.367 # 50 total E -1.53329E+01 rmsd from N 0.000 %NC 0.00 91.675 56.884 112.915 -32.361 93.106 -33.436 117.889 -41.702 137.023-151.843 122.693 135.144 130.314 -91.571 91.695-115.799 133.471 -94.184 155.504 -89.615 132.968 -84.663 137.553 63.345 127.161-159.879 176.501-117.526 122.781 -20.912 107.487-101.839 128.418 -11.129 0.000 0.000 117.594 101.909 126.313 -32.072 126.565 -85.685 119.557 -84.072 125.052-172.557 104.291 -67.088 129.401 176.407 134.387 -84.938 108.267 168.195 124.389-143.048 134.429 100.582 139.535-168.737 117.899 157.601 87.313 51.343 115.119 175.466 143.593 176.701 93.149 62.307 126.665-119.883 94.129 135.054 121.786-168.130 139.154 151.487 105.466 -98.717 93.866 56.991 146.615 0.080 115.266-177.447 170.640 140.179 134.453 177.680 149.175 96.708 92.449 53.110 115.387 31.584 122.096 163.238 110.628 -95.283 126.485 -74.366 125.340 102.604 133.978-111.413 0.000 0.000 117.198 0.000 147.490 102.547 # 51 total E -1.48395E+01 rmsd from N 0.000 %NC 0.00 122.513-124.281 152.211-118.286 129.846-104.308 136.659 29.224 136.308-161.683 147.008-178.749 121.165 175.221 167.231 -48.406 134.128 171.307 153.298 -80.473 92.785 59.932 118.612 -61.854 120.739 -59.624 160.262 101.452 99.288-166.104 124.813-123.666 131.542 175.840 0.000 0.000 94.534 122.172 139.953 -82.887 124.432 155.649 111.993 -92.678 112.237 9.094 79.121 -79.919 123.856 -97.108 120.539 -76.243 94.301 149.477 143.318-161.390 131.839 -81.592 137.811 -70.826 109.366 -32.916 68.923 -66.998 98.211 170.651 123.622 -22.176 92.533 81.692 98.474 -86.849 126.624 161.914 108.636 -31.376 110.147 93.924 99.482 -78.730 124.341 -78.951 164.126 7.834 121.486-165.809 164.087 -99.222 128.842-163.900 152.987-122.735 126.462 -72.047 138.445 44.682 126.698-167.334 157.533 0.602 125.857-174.918 113.632-119.416 134.646 -98.668 0.000 0.000 117.714 0.000 121.517 144.522 # 52 total E -1.39786E+01 rmsd from N 0.000 %NC 0.00 91.718 58.932 138.267-105.034 125.873 -82.929 139.694 -28.013 125.594-163.546 161.556 6.429 127.828 -76.016 167.409-100.980 132.144 59.485 164.838 -77.953 92.754 62.605 119.683 -71.335 110.605 -74.435 95.196-104.418 91.783 119.877 106.140-115.645 151.213 -28.738 0.000 0.000 132.683 -79.703 128.749 -88.420 124.289-170.984 165.734 -53.088 128.787 173.844 166.652 157.638 116.958 173.425 127.991 -18.370 119.699 166.593 132.110-169.505 93.487 71.024 115.250 -82.199 123.645 162.296 145.110-164.236 121.436 104.434 139.052 4.479 123.857-101.494 144.581 -89.008 124.652-170.401 131.935 161.625 120.737 -72.317 127.763-100.843 93.020 74.753 145.873 21.355 92.083 55.666 111.871 -93.209 92.835 42.276 84.389 -89.710 105.840 -70.678 134.254 -41.409 125.151 179.944 162.394 -3.539 123.549-176.453 148.458 -86.644 136.291 -85.326 0.000 0.000 115.872 0.000 137.947 -37.971 # 53 total E -1.38462E+01 rmsd from N 0.000 %NC 0.00 91.716 58.225 137.792-104.119 124.141-172.368 132.541 2.075 131.334 -87.179 154.405 158.494 128.298-166.265 138.086-100.145 129.310-167.640 147.573 -85.126 127.360 -81.708 121.156 67.068 127.202-166.894 162.073 -84.964 125.965 -75.471 136.898-119.872 123.166-172.221 0.000 0.000 122.652 174.566 121.101-143.011 125.332 101.993 134.210 -93.652 130.659 -97.630 157.996 153.881 120.706 169.961 124.961-141.531 116.704 100.203 153.998 -20.734 122.181 164.758 127.506 -60.453 113.952 81.878 103.645 93.425 114.491 113.859 136.370 -4.043 113.369-102.108 127.323-109.097 92.945 53.561 123.791 164.204 93.065 114.804 97.890 -82.151 145.734 -80.267 98.131 -96.688 93.073 57.872 129.310-107.647 92.842 68.596 117.287-132.153 93.288 74.746 101.612 -70.788 132.325 -90.044 119.482 -81.028 120.073 -68.308 117.567-118.742 136.851-102.700 0.000 0.000 117.635 0.000 134.318 171.990 # 54 total E -1.34311E+01 rmsd from N 0.000 %NC 0.00 122.287-117.200 138.351 152.451 129.861 178.193 151.278-163.255 138.104 176.637 155.525 154.697 121.557-174.928 163.931-142.104 120.730 112.703 150.495 -82.227 121.401 -76.811 133.432 -71.881 131.919 -28.709 161.493 -66.827 129.298-147.278 133.116-116.537 177.859 -67.481 0.000 0.000 128.714 -99.050 135.226 130.918 96.058 58.906 141.813 -73.214 107.217 -77.146 99.286 -99.099 92.241 122.882 121.924 168.763 153.352-100.926 170.538 121.743 131.810 -30.648 157.603 113.421 97.344 -85.940 130.497 -42.991 91.645 64.419 129.231 24.364 92.736 77.449 134.903-120.641 113.191 165.877 122.518 -31.476 94.737 99.933 137.713-134.230 120.556 -68.356 105.700 127.693 134.570-140.285 113.987 -60.701 113.493 -30.197 125.702-120.057 113.606 177.009 151.697 18.888 94.558 93.078 128.230 -47.905 127.798-104.984 158.422 121.481 135.219 -84.932 0.000 0.000 115.864 0.000 137.368 -38.115 # 55 total E -1.29122E+01 rmsd from N 0.000 %NC 0.00 122.526-127.061 150.573 -95.544 126.670-168.011 152.308 -93.398 131.318 -88.056 145.627 1.351 128.053-167.790 134.103 -88.888 127.400 177.634 146.715 -75.190 115.405 90.182 77.982 -97.037 134.711 -93.090 157.979 -86.748 126.962 -68.840 128.952-121.919 125.464 -23.336 0.000 0.000 121.236 93.198 126.639 31.471 121.418 -74.491 125.930 -95.919 92.812 61.511 132.201 124.345 91.673 121.820 109.515-102.580 163.003 -94.760 118.028 -90.806 92.390 73.924 145.242 162.312 124.957 -73.628 99.155 -31.850 109.851-166.774 132.819 -10.967 127.927 -79.731 148.320-117.863 127.710-169.554 111.321 23.649 123.718-168.960 157.031 -17.679 128.648 -83.334 165.569 7.925 126.533-153.867 135.027 -72.646 113.902 -61.527 142.793-171.344 120.174-170.194 106.096 94.360 130.182-179.144 105.934 -98.082 124.979-176.243 128.705 118.591 135.912 -85.651 0.000 0.000 116.873 0.000 131.927-164.156 # 56 total E -1.26870E+01 rmsd from N 0.000 %NC 0.00 91.718 58.309 137.808-104.331 123.102 179.471 133.341 -13.884 126.956 178.464 160.533-178.973 128.427 -85.416 147.739 -96.907 130.119-159.992 157.132 -78.181 127.385 -77.580 137.300 -61.551 125.762-168.711 133.551 -71.497 120.562 -62.443 123.915-122.703 120.606 -8.362 0.000 0.000 110.139 175.158 120.188-137.656 127.429 177.757 129.865-123.275 127.190 177.140 105.140 -55.701 114.062 162.754 107.214 42.179 112.998 176.229 117.380 -95.420 92.553 60.194 134.201 53.116 92.512 43.589 79.969 39.845 92.948 62.496 135.325 -27.361 92.631 71.835 143.312-162.264 114.841 173.079 115.093 22.841 121.604 179.952 104.289 -76.143 126.031-178.957 123.578 -88.424 113.338 173.476 124.512 -98.315 92.418 72.359 126.169-131.528 92.466 79.222 94.335-101.498 93.724 84.809 128.006 -44.278 94.004 134.885 124.083-125.443 126.177 13.189 0.000 0.000 115.465 0.000 130.361-161.490 # 57 total E -1.25351E+01 rmsd from N 0.000 %NC 0.00 91.718 58.344 138.119-104.179 122.938 179.956 131.160 -19.476 129.345 -75.980 121.830 -87.719 120.069 -52.940 166.975 -39.207 91.797 88.101 128.923 -75.938 92.554 106.926 126.107 -69.338 129.882-102.551 125.415-110.155 126.826 -76.387 119.680 -74.092 122.463-168.730 0.000 0.000 115.284 44.523 113.052 -47.053 95.021 155.222 121.235 -86.045 147.914-170.891 138.599-109.865 116.388 -56.728 135.415 -41.597 93.623 -27.352 150.089 -32.857 93.634 94.416 112.836 -51.480 132.337-115.760 160.820 110.317 129.230 -98.270 137.737 -27.192 108.031 83.820 163.619 164.170 108.177 -42.377 122.496 -19.250 110.085-175.585 106.076 -72.617 134.933-176.206 153.316-129.268 128.375-174.209 145.447 72.128 102.678 -65.465 134.786-159.351 94.254 -31.414 137.400 -30.889 94.455 112.995 123.389-111.214 93.695 22.727 129.978-115.562 131.247 -13.809 0.000 0.000 114.998 0.000 115.532-125.813 # 58 total E -1.24921E+01 rmsd from N 0.000 %NC 0.00 91.734 55.810 145.996-136.746 92.422 81.764 128.085-132.168 125.962 171.188 146.702-141.525 124.974-175.606 164.464 -61.597 129.830-167.680 157.223 -80.338 123.827 -69.771 133.220 -62.115 123.617-169.130 128.427 -74.008 123.761-176.863 125.227-122.524 95.359 76.617 0.000 0.000 119.682-177.255 119.876 -41.644 125.225-178.928 130.018 -98.911 130.075 -90.972 113.496 -86.192 117.794 179.873 129.108 155.174 125.394 168.468 155.602-173.645 117.998 99.543 153.374 -95.733 129.152-108.287 138.882 -68.379 120.557 131.310 136.908 -15.663 128.129-105.360 150.993-130.336 121.667 177.127 133.263 165.729 117.481 85.138 105.405 -83.190 123.090 178.513 119.263 -95.935 121.159 176.096 127.764 -89.383 113.685 84.926 140.682-157.813 131.225 -94.580 143.412 -6.020 130.847-169.854 162.633 147.937 124.788 -68.426 127.982-105.279 132.375-118.982 0.000 0.000 118.504 0.000 130.307 164.563 # 59 total E -1.22023E+01 rmsd from N 0.000 %NC 0.00 91.719 61.310 138.916-101.080 142.881 -91.631 103.454 -66.262 124.641 -40.404 162.513-178.653 130.647 178.940 140.313 -90.415 91.514 -61.501 109.078-117.701 93.173 -34.329 122.782 -54.314 95.458 101.989 132.415 -97.688 93.929 68.049 131.279-114.320 150.534 -27.110 0.000 0.000 153.481 -60.317 145.617 -66.394 115.210 -21.885 109.735 -93.852 92.514 101.787 115.297 -42.423 92.880 61.276 123.348-149.945 94.484 73.730 141.353-167.601 129.949 -80.152 140.645 -82.602 112.858-173.876 108.608-132.561 137.960 173.942 135.432 -37.302 106.131 84.625 149.790-127.229 128.647 -76.911 109.589-122.134 114.079-164.591 146.699-160.326 136.080 -73.535 172.107 15.513 123.549-161.756 127.785 -91.342 130.772 -88.427 127.444-104.204 118.619-172.183 80.859-114.367 129.952-178.807 142.711 142.316 127.312 -68.280 129.633-112.317 128.729 94.561 0.000 0.000 117.381 0.000 136.558 -37.430 # 60 total E -1.18582E+01 rmsd from N 0.000 %NC 0.00 124.140-129.239 126.276 -14.298 124.483 -84.159 142.406 -32.996 124.516-173.687 129.319 -28.257 120.688-178.391 132.572-118.575 126.651 173.548 150.190 -90.962 119.094 105.118 83.774 -94.949 128.831-102.287 172.388-152.117 125.233-176.649 118.756-111.326 125.879 168.054 0.000 0.000 130.417 -99.250 136.380 159.603 127.418 178.500 133.520 -90.478 119.979 105.151 111.398 -89.219 131.277 -95.952 146.291 135.198 121.099-162.665 151.572-157.896 128.862 -87.803 147.450 15.587 127.330-157.790 121.280 -95.844 122.997 -96.905 141.051 -9.231 92.090 60.587 146.482 -29.724 91.632 39.732 130.083 159.554 93.162 59.284 103.701 -81.103 94.651 88.279 161.314 -4.747 123.958-110.425 163.118-104.221 92.902 83.949 81.195 -88.096 93.678 82.124 122.759 -98.526 120.095 164.478 133.314-147.318 125.864 -72.821 153.788-111.242 136.090 -88.696 0.000 0.000 116.948 0.000 132.028-169.461 # 61 total E -1.17157E+01 rmsd from N 0.000 %NC 0.00 91.714 59.925 137.740 -99.116 130.098 -96.536 117.590 -46.009 137.582 -73.461 102.253 -68.573 96.782-179.273 141.758 -78.179 126.486 171.220 142.463-104.730 94.362 72.511 179.982-150.934 119.701 170.484 141.925 -86.582 117.007 118.560 121.501-110.306 104.582 -33.626 0.000 0.000 94.039 -52.559 99.668-129.330 95.151 172.050 164.664 -62.944 94.271 80.746 155.664-145.691 136.029-111.213 104.655 -94.456 111.117-178.558 135.886-152.962 141.612 167.179 140.505-114.854 123.777 -65.142 132.914 29.727 130.554-156.523 147.221 -89.832 127.690 177.462 173.663-160.289 114.416 164.384 133.801-179.158 94.474 90.606 136.569-126.946 135.400 -96.076 101.266-104.585 124.261-165.266 169.944 179.934 122.543 -60.574 155.893-125.583 120.687-156.930 125.287 -40.446 131.901 -99.787 148.103-147.891 126.256-174.814 128.808-116.483 135.993 -84.995 0.000 0.000 116.003 0.000 138.034 -37.452 # 62 total E -1.09746E+01 rmsd from N 0.000 %NC 0.00 91.800 53.768 115.312-134.634 92.513 163.783 148.218 137.009 95.625 89.122 169.992-168.365 96.987 -3.541 125.094 -57.001 95.023 -81.567 131.443 -76.397 117.341 174.728 107.929-115.658 138.745 168.121 156.101 -12.197 93.643 70.641 109.185-132.547 139.743-104.012 0.000 0.000 126.117 174.719 129.830 -74.805 96.366 40.951 122.792 -84.186 128.655-158.384 139.813 -37.802 93.927 67.697 147.741 -89.994 114.937 -57.367 153.297 6.925 123.807-176.835 125.219 -80.002 132.104-158.304 179.982-171.774 115.048 -94.408 155.803-109.475 93.051 82.060 141.256 -4.665 92.777 93.230 128.264 172.444 123.655 -92.189 92.147 -83.471 125.567-167.495 170.422-162.092 138.990 19.777 132.610 -94.468 110.400 -41.818 143.758-168.787 92.945 170.290 137.287 -45.080 138.854-179.887 176.467 23.964 125.746 -67.120 176.627 9.147 130.293 -30.563 0.000 0.000 115.048 0.000 129.387 169.368 # 63 total E -1.04273E+01 rmsd from N 0.000 %NC 0.00 122.565-126.239 150.827 -93.920 129.295 -92.709 126.844 -31.156 127.087-175.506 157.139 175.208 125.819-177.673 167.928 -58.311 126.288 173.637 150.210 -83.894 119.752 105.233 84.729 -93.932 129.047-100.726 172.859-157.284 125.251-173.502 118.970-111.080 123.747 169.832 0.000 0.000 93.957 88.534 121.766 -34.225 124.883 -83.485 167.990 -38.821 122.613-168.343 144.255-161.214 131.866 -78.461 117.922 -29.451 111.648 74.229 152.894 -26.064 121.331 -62.311 147.004-140.535 113.959-172.337 137.659 -50.469 124.949 176.557 156.799-142.714 92.670 67.428 136.052-135.134 112.306 170.639 126.146-160.713 124.264 172.729 147.366-149.282 126.243 164.524 80.680-110.774 122.990 175.810 161.785 136.190 130.879-178.183 166.815 -92.223 120.138-178.139 114.926 -68.458 131.704-177.039 150.825 165.098 122.724-174.692 122.233-102.959 95.785 92.068 0.000 0.000 117.397 0.000 138.707 -36.618 # 64 total E -1.03963E+01 rmsd from N 0.000 %NC 0.00 91.717 57.767 137.721-102.283 116.928 173.187 136.787 -31.415 93.911 69.854 114.516 -34.554 116.501 163.426 139.652-103.456 91.973 82.688 128.768 -76.220 92.883 112.982 86.457-100.322 127.746 -96.496 131.862-105.807 123.972-176.075 120.354-111.794 126.925 170.698 0.000 0.000 122.972 170.729 140.693-166.639 126.929 114.833 139.902 -88.692 130.067-117.397 159.906 165.312 129.603 -96.369 140.231-161.983 120.618-170.680 151.073-160.650 125.734 174.323 159.914 -98.320 118.631 103.243 105.950 -32.995 130.266 -99.944 130.925 -51.548 121.587-163.592 159.116 -11.606 129.086 -69.722 134.010-179.095 117.069 179.486 149.493-128.331 125.744 -73.496 136.122-125.105 112.955 -25.475 170.817-167.715 92.966 93.345 119.961-132.683 93.253 97.471 137.268 -30.024 134.119 -91.682 145.789 97.496 125.044-174.779 128.334-116.252 136.543 -85.190 0.000 0.000 115.866 0.000 137.561 -38.175 # 65 total E -9.71655E+00 rmsd from N 0.000 %NC 0.00 122.822-130.359 142.957 -50.799 124.868 173.887 115.983 46.574 124.476 106.241 145.718 141.635 141.512 -84.690 141.263 -63.572 129.484-162.198 125.948 -52.563 113.784 179.943 103.369 -70.669 129.412-179.141 132.139-115.060 126.049 -71.704 124.854 110.244 96.393 52.107 0.000 0.000 120.435 89.654 122.912 -31.528 125.715 -81.101 131.052 -98.460 118.606 -29.988 162.611 155.545 108.106-159.890 121.306-148.460 135.460 -80.194 141.917-155.317 132.778-171.918 158.753-110.505 93.226 65.331 126.230 -53.421 115.655 175.307 147.061 162.004 128.980-178.404 155.067 147.124 117.046-177.624 90.940 -58.228 93.557 73.053 101.019 -85.193 126.672 175.824 176.445 160.260 120.488-178.423 137.276 -92.128 126.434-167.694 151.452-178.634 127.772 -79.614 117.299 81.685 129.764-170.800 164.007 163.798 127.318 -68.040 125.914-116.486 129.503 93.380 0.000 0.000 118.545 0.000 133.756-170.766 # 66 total E -9.34405E+00 rmsd from N 0.000 %NC 0.00 91.718 58.133 137.868-104.287 123.012 179.478 133.335 -13.805 126.878 178.661 160.513-178.496 128.448 -85.134 148.300 -96.748 129.221-169.300 148.909 -70.620 123.963-177.345 118.161 -67.970 126.313-179.280 164.349-134.005 128.192 -77.240 128.190 -72.095 123.983-167.571 0.000 0.000 113.943 45.790 116.838 -46.453 96.221-166.145 140.530 -71.147 129.072 -73.211 155.554 166.349 116.258-173.494 133.845 -26.923 123.955 176.655 120.575-169.757 126.958 179.777 155.870 -95.364 127.465-177.630 149.788 -60.886 121.833 176.568 137.776 -5.565 113.554 89.246 147.185-149.005 116.604 153.158 117.050 -25.792 94.557 95.782 139.409-121.866 127.902 -97.906 162.191 -0.204 120.622-167.798 163.059 -96.747 92.794 68.708 95.280 -98.386 93.360 103.075 103.604-117.474 135.657-104.306 110.273 -91.176 122.680 -71.507 116.014-123.541 135.787 -99.564 0.000 0.000 117.337 0.000 139.550 170.060 # 67 total E -9.24694E+00 rmsd from N 0.000 %NC 0.00 91.718 59.535 138.218-104.717 128.161 -91.628 127.165 -29.117 127.320-175.270 158.534 177.143 127.776-177.096 146.764 -89.710 126.485 173.916 147.037 -83.725 119.422 104.559 85.703 -93.453 128.882-101.287 173.069-162.369 124.957-176.396 117.541-111.230 126.732 170.696 0.000 0.000 124.494-174.723 139.441-171.061 126.557 -84.661 166.447 -80.802 129.871-173.573 156.125 4.203 124.777 177.794 132.994 -34.755 123.347 175.185 155.270-166.340 127.958 179.040 151.250 -95.246 128.011-174.926 149.162-153.086 127.665-163.507 138.061 36.369 119.288 -79.327 144.375 -31.329 111.461 -58.492 114.124 -95.380 92.937 71.188 138.396 -17.454 110.558 158.455 124.194 -85.689 122.214 173.230 139.360 -95.028 92.693 73.868 117.714-109.264 113.410 137.225 93.385 -78.207 131.069 -96.694 160.364 18.028 125.193-174.830 122.151-101.343 136.308 -85.133 0.000 0.000 115.858 0.000 137.669 -38.320 # 68 total E -8.84010E+00 rmsd from N 0.000 %NC 0.00 122.567-126.976 150.550 -95.675 126.340-168.286 152.499 -96.516 131.530 -90.435 144.122 1.060 127.425-177.157 129.532 -77.073 118.649 96.352 144.807 -84.646 128.222 -96.809 126.657 63.789 125.206-168.945 136.567 -81.013 120.188 179.882 128.326-121.840 123.395 67.490 0.000 0.000 123.823-175.469 131.086-142.294 126.465-169.550 132.901-103.731 133.645-107.257 151.561 4.581 118.429 -75.389 121.824-106.067 92.794 79.259 111.041 -83.026 101.370 154.744 109.126 -87.097 93.631 73.425 143.339-149.501 107.566 155.964 134.366 -3.085 138.157 171.771 176.467-177.337 93.404 83.402 120.906-175.440 127.461 -94.472 147.114 -35.985 124.042-178.555 170.419 4.188 125.809 170.983 159.603 -91.634 115.006 98.321 150.926-168.664 128.792 -93.304 136.017 50.801 129.450-172.232 155.108 -3.599 126.315 -67.045 125.410-127.584 130.977 -18.597 0.000 0.000 112.999 0.000 113.031 -35.436 # 69 total E -8.83342E+00 rmsd from N 0.000 %NC 0.00 123.823-135.176 127.540 -27.544 115.287 -59.995 145.025 -0.563 110.453 74.762 135.542-126.661 119.512 172.160 138.626-105.468 123.754 175.673 128.482 -39.738 93.042 69.939 94.744 -79.624 131.849 171.461 162.679 -60.567 113.823 178.420 126.554-123.286 133.237-178.902 0.000 0.000 91.819 71.457 113.084 -19.914 92.693 47.876 128.692 -95.556 92.995 54.102 116.057-112.009 92.839 59.177 111.813-137.423 105.149 -52.572 110.049 -79.520 111.270-176.647 152.894 -72.903 134.278-177.937 120.079 -73.443 102.471 163.070 119.786 -36.626 93.078 80.459 143.003-151.477 128.927 -84.414 102.370-104.315 113.496-173.354 138.666 -28.000 130.909-174.154 167.948 148.432 118.256-103.446 169.285 167.459 93.338 31.674 109.675-115.285 94.236 71.640 123.545 -61.335 120.860 162.384 129.685 -41.014 93.267 75.702 109.405-138.532 142.734-115.294 0.000 0.000 118.288 0.000 119.360 138.640 # 70 total E -8.74369E+00 rmsd from N 0.000 %NC 0.00 122.543-127.268 150.910 -97.289 126.630-178.186 131.199 -29.304 126.013 177.399 108.137 -69.141 125.349 174.580 137.252-106.220 119.369 99.246 143.108 -87.011 128.287 -97.512 127.116 63.967 124.858-170.681 134.634 -82.904 124.284-177.583 130.207-121.286 127.010 170.572 0.000 0.000 124.392-175.176 138.831-163.875 128.106 -80.589 142.328 -84.857 131.316-161.833 102.156 -81.986 130.620 -86.811 125.039 26.571 122.121-159.700 154.862 -21.110 128.489 -90.755 147.828 25.693 128.481-157.450 127.051-105.132 128.083 -96.976 142.422 -23.911 125.254-170.444 159.808-150.722 127.776-168.756 129.047 2.411 125.763 -80.798 100.063 -79.788 127.752-170.928 118.620 -97.945 121.521 174.527 125.603 -85.234 92.944 63.830 107.195-109.327 119.247 169.494 97.162-116.406 128.216 177.629 154.926 1.910 123.623 -70.830 119.090-124.266 134.674 -94.501 0.000 0.000 117.212 0.000 135.686-178.020 # 71 total E -8.67078E+00 rmsd from N 0.000 %NC 0.00 122.779-134.758 141.746 -68.161 123.067-178.593 131.219 -10.860 129.921 175.605 155.574 171.059 128.104-176.695 148.451 -90.099 128.912-169.201 150.419 -79.086 126.254 -83.025 134.563 -67.348 128.176-172.322 161.743 -64.263 123.175 -80.148 127.932-119.164 96.752 57.800 0.000 0.000 94.569 65.699 123.185-153.852 128.147-176.441 148.947 -92.537 116.465 164.857 176.428 173.189 93.814 83.208 120.489-135.628 131.138 -92.803 110.394 -89.884 119.819 175.181 153.697-139.874 121.591 101.049 152.540 -36.712 130.194-101.201 140.428 -21.542 126.549-162.829 176.425-161.767 127.242 -75.827 96.174 -40.611 115.999-172.541 159.861-147.917 130.192-166.692 119.456-124.836 124.329 -98.056 136.049 -80.407 128.639 178.231 151.325-179.539 119.997 103.347 124.907 -46.486 133.578-100.774 110.213 -82.625 122.359-174.614 115.763-117.751 136.129 -84.672 0.000 0.000 116.886 0.000 130.457-158.978 # 72 total E -8.52632E+00 rmsd from N 0.000 %NC 0.00 123.244-137.845 133.637 -43.398 92.947 164.602 141.073-103.543 117.365 50.377 133.218 -19.626 127.117-177.513 173.372 -61.093 127.008-171.893 151.400 -84.468 126.639-162.301 94.019 86.187 124.416 -90.719 113.611 -77.471 93.097 91.678 113.125-120.782 124.731 172.219 0.000 0.000 123.382 174.575 141.570 -39.578 123.777 115.579 144.822 -86.610 127.603 -69.283 92.236 -75.021 113.512-170.627 76.378 -50.963 127.373-172.490 176.042 -1.234 114.663 -60.458 133.138-128.492 111.908-177.773 142.594 -30.444 127.510 169.867 139.972 -8.251 92.716 67.143 142.995-151.422 126.259-107.201 124.064 -28.386 92.555 104.060 109.296 -80.424 94.291 80.139 153.604 2.142 109.592 120.543 166.597 147.476 116.985 162.097 138.522 40.887 92.500 83.323 121.355 -34.325 94.745 101.562 172.278 5.874 127.894-105.215 147.145-134.441 136.173 -79.434 0.000 0.000 115.802 0.000 136.464 -83.377 # 73 total E -7.63981E+00 rmsd from N 0.000 %NC 0.00 91.711 58.666 132.711 -89.645 128.564-102.131 164.194-141.709 114.159 169.492 135.003 -12.953 96.586 106.394 133.784-112.861 92.397 -24.647 163.715 -82.824 95.062 -70.395 99.472 -90.696 113.558-174.834 140.150 -72.162 113.902 -63.904 98.998 -50.049 132.610-113.150 0.000 0.000 129.761 -87.421 133.212-168.834 130.629-154.687 151.267 -92.695 130.281 -87.745 163.411 166.066 125.398-173.212 137.356 167.564 124.474 179.541 150.887-160.293 127.197-167.156 152.508 9.900 126.755 -76.338 105.850 -36.968 118.959-168.312 134.209 -50.402 123.106 173.629 131.786-155.304 115.238 45.331 132.831 162.145 117.089-168.098 105.219 -80.583 134.100 -86.480 145.985 121.765 124.071-170.691 133.492 -95.429 123.129 169.679 151.224-154.415 94.331 88.176 124.583 -71.409 134.468-107.980 156.642 140.248 127.609 -72.173 126.133-117.699 136.416 -84.958 0.000 0.000 115.881 0.000 137.873 -37.837 # 74 total E -7.32017E+00 rmsd from N 0.000 %NC 0.00 91.716 57.754 138.012-104.688 116.683 172.829 147.220 -5.087 94.535 75.362 119.709 -25.559 128.899-174.004 138.575 -95.327 129.479 -85.413 148.463 -85.418 123.878-164.800 77.897 97.345 128.077-170.395 141.277 -73.965 110.703-179.204 111.520-115.024 142.843 174.117 0.000 0.000 102.441 151.826 117.076 -27.406 124.744 -82.036 129.804-103.000 110.232 -7.548 145.977 139.259 106.521 172.666 95.309 -56.340 125.681 104.764 164.683 -21.431 126.459 -99.715 138.096 53.398 124.574 107.470 151.656 97.376 121.812 11.505 146.422 -36.025 93.567 -50.144 153.472-143.575 115.481-168.820 112.322 7.904 136.149 -89.150 148.922 -37.516 125.678 -69.510 124.605 -96.582 120.870 114.819 159.339 122.989 126.052 -89.926 139.146 -26.339 92.242 148.209 110.844 -97.573 94.649 91.102 111.358-119.291 93.995 142.397 129.865-120.890 95.594 92.149 0.000 0.000 117.390 0.000 137.860 -37.444 # 75 total E -6.43227E+00 rmsd from N 0.000 %NC 0.00 122.479-119.130 152.235 -51.640 126.735-101.248 125.703 -60.201 94.050 45.393 88.870 -85.230 92.509 56.457 124.441-110.868 91.855 62.513 128.869 -77.292 93.854 -52.858 126.375 -59.460 122.797-179.705 154.701 -70.301 125.916-167.719 130.303 123.928 138.534 -88.117 0.000 0.000 127.936-178.955 136.975-166.152 126.463-172.126 165.176 -74.604 130.339 -95.569 109.724 -77.271 124.401 -52.731 131.483 159.701 95.291-173.394 150.537 -32.435 129.894 -86.199 145.055 -2.460 128.275-163.713 119.430 -82.238 124.380-161.121 138.592 -23.032 125.808 -84.949 144.892-158.327 117.426 178.488 144.251 -8.856 93.954 73.091 137.427-108.062 116.634 157.304 155.131-118.665 94.742 77.813 136.841 -94.943 127.322 -76.600 130.385-124.942 116.278-172.243 111.009 -79.370 135.225-170.078 149.380 25.859 118.435 -64.296 121.188-116.214 137.188 -95.271 0.000 0.000 117.438 0.000 129.039 179.226 # 76 total E -5.82659E+00 rmsd from N 0.000 %NC 0.00 91.719 53.282 138.225-106.647 92.721 99.646 121.956 -48.273 132.695 -95.966 141.958 -3.182 126.876-169.607 135.768 -85.588 126.403 174.809 145.884 -84.013 119.268 105.641 82.081 -96.401 128.461-113.838 171.480-144.607 126.783 -76.212 121.931-111.328 134.892 -19.458 0.000 0.000 130.890 -85.849 135.925 30.455 126.566-158.231 143.247 -99.865 132.458 -87.333 156.910 -0.232 125.567-172.287 129.159 -34.745 124.434-174.987 155.052 -17.445 128.330 -91.279 154.810 -80.227 127.920-168.752 146.786 -63.274 125.216-176.320 132.184 -41.851 121.817 175.049 151.047-157.539 114.474 46.565 132.064 158.505 93.902 160.002 134.106-116.198 93.926 85.692 107.535 119.085 93.527 86.606 161.472-138.206 124.791 -80.540 122.670 -73.125 115.280-172.983 82.601 -92.091 130.711-176.424 162.391 9.200 122.864-175.811 116.577-120.533 136.040 -84.634 0.000 0.000 116.860 0.000 130.507-159.392 # 77 total E -5.63058E+00 rmsd from N 0.000 %NC 0.00 123.750-109.056 128.519 -23.698 93.632 -77.551 107.646 -41.336 117.588 -22.903 165.317 160.202 92.989 155.868 131.449-106.326 91.824 80.890 128.415 -77.099 93.124 133.072 80.558 -98.480 126.966 177.043 159.087-119.570 121.396 177.758 132.020 113.233 123.930 56.994 0.000 0.000 121.316 172.749 134.106-162.757 95.200 74.263 139.992 -72.657 120.091 159.829 155.862 5.868 117.387 47.152 130.325-169.809 124.081 -72.679 106.212 -86.045 122.698-161.271 147.202-103.552 130.575 -78.844 145.683 34.505 130.528-178.692 139.639-107.739 113.953 66.744 159.393 -22.236 120.306 -53.311 129.224-149.232 92.688-171.935 137.075-154.348 93.888 78.348 97.002-136.155 93.246 58.748 134.571-110.262 107.291 -58.576 137.874-152.352 111.702-173.138 63.178-113.783 134.947-168.111 152.280 10.005 114.562-170.602 117.962-118.609 142.044 -72.687 0.000 0.000 116.517 0.000 108.276-134.724 # 78 total E -4.97813E+00 rmsd from N 0.000 %NC 0.00 122.556-117.834 147.959 -98.679 121.525 119.480 150.679 -84.754 130.418 -97.437 124.609 -36.016 117.228-163.124 138.987 -95.103 91.629 69.741 128.036 -74.838 92.780 86.701 179.982-161.484 93.963 78.478 129.085 -77.748 122.471 151.392 153.396 145.850 137.084 -56.080 0.000 0.000 126.119 -67.966 121.141 -36.187 125.728-153.672 139.347 -58.104 127.352 -66.133 156.177 166.954 116.724-179.163 119.133-132.912 128.435-151.422 151.385 -9.977 124.234 -74.707 153.849-115.046 129.436 119.876 167.140 152.071 119.382 2.706 163.693 159.141 116.337 -82.315 138.420 -29.122 92.578 87.024 161.259 156.975 93.061 101.636 106.163 -91.166 140.158-101.437 110.851-112.237 120.005 91.732 159.824-115.113 130.031 -82.226 148.781-155.849 117.935-159.129 124.592 -39.442 132.993 -96.830 157.752 172.281 126.444-175.618 129.735-119.417 136.199 -72.672 0.000 0.000 115.146 0.000 134.733 -43.257 # 79 total E -4.89859E+00 rmsd from N 0.000 %NC 0.00 91.742 58.135 139.158-149.295 122.886-173.665 152.658 -82.571 131.484 -87.330 146.518 3.229 128.353-158.674 133.870 -90.151 130.413 -86.801 149.043 -83.204 127.790-158.630 132.409 -67.363 126.582 -96.548 166.673-109.666 125.455-176.085 117.769-109.938 126.169 169.958 0.000 0.000 128.057-179.504 136.784 -8.708 122.708-172.584 146.856 -98.483 129.338-165.535 155.709 0.884 125.545 -59.939 133.272 176.353 94.643 172.096 149.984 -31.807 120.627 100.263 145.299 -57.900 130.312 -97.753 135.422 145.449 128.437-158.214 169.366 132.540 125.207 -78.165 146.558 -8.679 125.726-169.302 150.844 -36.501 93.570 63.895 139.223 -19.466 110.372 173.783 136.478 -99.136 131.086-177.434 142.231 -84.492 97.576 -32.278 108.032-109.518 111.095-163.009 176.506-152.172 129.897-176.557 170.776 8.548 125.025-175.692 179.982 -36.814 135.909 -83.278 0.000 0.000 116.899 0.000 131.547 161.507 # 80 total E -4.53257E+00 rmsd from N 0.000 %NC 0.00 91.719 54.796 137.187-101.932 93.152 -72.292 118.772 -34.573 131.571-160.612 106.873 -78.880 127.122 -86.907 164.270 -80.226 129.973-160.188 156.129 -77.888 127.223 -77.396 137.225 -61.374 124.644-167.342 128.085 -73.903 119.536-176.712 122.779-122.501 95.822 78.156 0.000 0.000 93.911 136.780 115.482-152.294 94.302 78.025 142.148 -73.188 118.156 160.053 93.208 -85.537 121.321 45.798 116.675 -57.400 123.879 -80.566 155.561 -18.898 123.277-179.655 153.048 -80.913 116.754 88.436 107.497 27.638 124.670 171.674 140.798 -8.596 118.828 167.689 120.876 -59.823 122.197 43.034 102.697 -63.658 94.267 -72.419 88.788 -87.520 113.565 177.678 107.453 -94.877 122.688 104.316 160.523-135.104 92.927 -51.669 95.841 -64.667 92.585 -33.972 120.228 -42.509 116.652-171.392 168.680 177.714 117.940-174.826 146.980 -96.383 95.851 91.507 0.000 0.000 117.351 0.000 138.834 -35.109 # 81 total E -4.35542E+00 rmsd from N 0.000 %NC 0.00 122.556-127.315 150.482 -92.981 122.973 174.193 153.068-119.408 119.752 51.003 139.511 -8.461 126.202-177.144 141.904 -99.599 125.619 175.142 146.055 -84.123 119.170 105.277 83.914 -94.733 128.871-100.976 172.622-154.408 125.075-175.758 118.803-111.121 126.291 170.034 0.000 0.000 127.500-179.776 135.870 -13.343 123.403-174.708 145.234-105.765 131.376-169.130 157.831 -1.226 130.036 -95.134 89.508 -96.590 116.283-175.509 153.262 -20.987 116.776 100.076 154.202-141.719 118.851 135.536 138.158 -40.875 127.831-107.567 142.467 -17.898 119.656 172.911 145.425 -33.747 93.781 71.180 77.849 46.277 119.646 170.168 120.236 -77.508 120.248 173.825 162.439 1.930 121.239 169.952 160.963-150.081 125.981 104.384 153.564 -84.074 127.643 -96.516 91.123 102.119 130.678-172.266 161.556 155.132 125.172 -68.096 124.956-116.441 131.031-132.707 0.000 0.000 118.992 0.000 131.335-178.380 # 82 total E -4.12085E+00 rmsd from N 0.000 %NC 0.00 91.721 58.723 139.866-111.398 123.482 -59.014 153.092-120.359 110.006 84.678 134.781 14.777 94.792 83.469 127.065-100.051 114.069 161.769 144.882 -81.792 127.097-179.392 166.709 -64.768 125.594-176.446 161.394 -68.043 123.602 179.697 124.294-113.157 118.994 39.676 0.000 0.000 120.924 -79.069 131.671-159.488 115.571 174.232 161.269 -60.000 118.486 102.966 112.867 -95.755 131.224 -97.426 141.657 136.766 119.296-171.497 151.133-156.270 127.374-177.549 152.532-132.996 126.157-177.222 149.910 -53.262 118.062 177.050 132.851 33.964 92.397 80.115 147.381-145.603 92.368 80.773 95.029 98.422 92.904 64.922 99.189 -85.925 118.145-179.798 121.060 -98.452 117.056 175.495 125.272 -87.216 113.779 92.942 138.912-153.049 115.547 143.294 129.949 25.240 131.883 -98.665 155.480 156.026 124.771-173.459 124.777-115.716 95.824 91.916 0.000 0.000 118.341 0.000 132.933-167.156 # 83 total E -3.98044E+00 rmsd from N 0.000 %NC 0.00 124.458-134.270 120.527 -19.130 118.260 -63.054 146.796 -15.139 110.594 76.418 128.224-120.299 95.366 143.988 141.538 -73.697 115.529 167.227 134.071 -45.915 92.717 72.649 109.069 -69.230 128.674 163.549 164.180 111.933 121.783 -79.176 145.538 125.086 97.071 58.873 0.000 0.000 94.560 69.178 115.594 145.994 133.864 -67.781 139.814-117.065 117.310-171.813 170.600 166.651 92.913 80.258 139.465 176.351 94.183 98.284 107.039 -83.821 124.737 177.891 152.417-151.833 126.545-175.556 126.911 -37.837 125.413-166.342 133.935 -47.926 124.535 -90.863 161.687 -17.133 127.242-171.343 123.731 140.636 124.173-170.816 157.280 -14.966 129.050 -82.509 167.446 10.524 123.378-170.127 140.413 -93.593 131.401-177.492 146.633-108.866 115.302 170.966 130.569 38.442 119.051 114.037 131.693-132.716 126.441-106.335 130.968 119.591 95.953 63.116 0.000 0.000 117.126 0.000 132.752-170.425 # 84 total E -3.63667E+00 rmsd from N 0.000 %NC 0.00 91.716 59.413 138.665-105.999 126.733 -87.676 149.203 -64.578 129.120-165.136 143.166 -4.012 127.334 -88.278 127.743 -64.473 125.374 -64.392 141.683 -74.966 118.389-161.398 125.149 -58.111 133.512 179.369 163.665 159.299 118.183 -59.745 160.957-106.288 133.939 -5.162 0.000 0.000 123.332 -11.539 140.805 175.858 95.615 84.688 144.778 -78.823 93.157 98.787 110.146 -26.920 140.825 -83.766 139.396-122.926 118.083 88.662 152.405 -51.839 132.195 -92.830 145.063-164.632 128.120-160.346 123.416 -21.786 126.628 -82.351 145.435 -30.276 124.131 -19.444 136.693 -90.690 129.482 -95.446 98.281 -98.160 118.338-174.154 143.803 -17.101 128.398 178.295 169.977 163.807 122.117 176.931 174.424-176.333 93.033 75.643 123.537-114.573 113.797 143.092 108.071 -72.836 130.788-106.067 159.504 153.290 127.997 -72.240 125.154-114.836 136.224 -85.066 0.000 0.000 115.877 0.000 137.860 -37.853 # 85 total E -3.39609E+00 rmsd from N 0.000 %NC 0.00 91.719 58.094 137.835-104.035 122.381 178.991 133.426 -4.541 126.197 175.067 158.328 177.929 125.930-178.575 168.270 -76.183 126.191 176.245 149.796 -81.979 113.652 82.390 77.816 -98.861 127.460 178.189 140.802 -90.435 125.116-168.177 136.968-121.069 137.787 -84.548 0.000 0.000 128.302-178.117 141.455 -1.172 118.740 174.992 165.674-113.401 94.980 80.315 172.616 4.810 121.213 163.922 104.564-104.924 124.237 173.530 113.218 -86.362 125.522 170.364 154.396-165.511 120.295 111.562 108.596 -22.578 128.222-104.067 148.203 -25.477 125.534-171.809 144.906-165.131 128.044-167.832 102.565 34.313 120.701 -77.122 147.162 -26.501 122.315 -56.073 162.629 4.190 124.212-168.304 160.597 -93.026 126.397-165.637 148.136-122.800 128.723 -81.458 157.743 -8.012 130.212-170.875 108.544 -83.242 123.542 -64.778 120.458-127.687 122.088-156.613 0.000 0.000 119.913 0.000 125.902-174.532 # 86 total E -3.06853E+00 rmsd from N 0.000 %NC 0.00 91.718 57.829 137.689-104.302 118.371 170.000 128.396 -14.353 112.987 49.544 136.483-129.518 120.187-177.305 139.383-107.125 128.228-168.124 154.617 -91.830 127.669 -76.084 139.457 -60.202 125.466-170.419 129.375 -75.914 125.547 -71.580 127.146-122.506 134.314 -27.468 0.000 0.000 124.159-178.432 133.297 -43.938 129.787-178.296 147.865 -86.160 121.882 166.053 158.662-160.293 116.827 46.139 134.081 -15.152 116.741 -67.504 110.905 -83.988 112.532 177.641 158.596-115.492 93.359 79.854 121.859 -39.256 113.238 126.815 148.926 145.332 126.665-102.951 137.473-150.460 123.386 172.506 116.727 -13.538 122.144 95.705 148.831 -15.225 126.929 -92.506 163.956 6.090 122.589-169.502 143.599 -94.749 127.296 179.559 163.701-149.337 92.833 85.664 120.861 -43.208 94.338 106.787 116.198-114.341 127.042-105.056 158.603-160.558 135.362 -85.021 0.000 0.000 115.855 0.000 137.674 -37.921 # 87 total E -2.85714E+00 rmsd from N 0.000 %NC 0.00 122.643-132.332 144.651 -73.901 124.904-169.273 131.195 3.230 132.361 -87.634 147.188 148.907 128.112-158.102 137.311-104.172 130.309 -86.498 149.316 -85.365 126.931-170.044 123.701 -69.062 125.204 178.785 133.656 -93.795 125.196 -73.336 110.746 104.965 132.431 -16.448 0.000 0.000 132.099-113.062 121.751 -33.490 126.112 -94.821 137.735-104.626 133.144-159.997 154.071 3.576 129.090 -67.313 99.708-101.499 95.341-179.934 143.401-135.437 125.296 179.933 166.969-125.439 127.303-174.867 125.313 -41.688 125.043-164.320 142.490 -26.993 126.020 -83.820 164.863 -9.223 123.300 176.497 133.491-131.371 94.161 80.510 101.225 -89.109 132.730 -83.903 170.503 154.312 121.638-168.721 136.531 -92.680 126.751-164.542 153.196-151.236 128.906 -81.674 140.035 -32.473 129.923-168.655 164.705 160.761 125.039-174.856 123.227-115.555 135.940 -84.913 0.000 0.000 116.875 0.000 131.189-160.441 # 88 total E -1.50436E+00 rmsd from N 0.000 %NC 0.00 91.717 59.629 138.195-104.719 128.063 -91.700 127.311 -28.654 127.917-173.051 156.659 177.111 126.197-167.237 167.697 -54.928 129.863 -85.735 153.068 -82.306 125.694-170.836 89.130 -95.025 126.294-178.389 163.374 -82.974 125.439 -71.005 140.740-120.512 132.776 -34.515 0.000 0.000 130.073 85.538 126.857 -33.233 129.962 177.445 153.705 -99.340 129.102-169.628 153.224 -0.909 124.888 -60.272 132.876-175.474 94.192 171.175 142.156-131.361 120.652 100.418 137.752-177.889 130.522 -95.874 141.740 161.438 127.546-164.294 137.053 31.454 119.576-171.808 163.213 -8.209 111.830 47.913 120.024 -25.546 93.448 146.412 145.033-130.926 93.691 90.736 108.519-123.037 108.561 128.417 127.853 -97.113 127.924 -99.621 132.335-125.713 127.366-157.240 123.441 71.639 131.697-100.594 96.494 -74.082 115.725-175.699 119.506-120.167 136.128 -83.690 0.000 0.000 116.864 0.000 128.787-155.670 # 89 total E -1.32525E+00 rmsd from N 0.000 %NC 0.00 122.701-133.328 143.206 -69.627 124.287-168.777 131.646 2.123 132.539 -89.966 149.857 146.181 126.670-175.431 123.820 -78.918 110.457 82.495 144.023 -85.944 109.169 136.151 77.988 -99.870 127.825 -99.531 170.945 158.751 126.033-164.959 120.801-112.645 138.216 -87.872 0.000 0.000 126.859 178.498 123.278 -39.879 123.938-177.970 128.098-100.990 132.265 -97.072 111.116 -83.345 123.880-165.601 131.566 157.322 127.001 -74.106 150.715 175.010 128.195-168.829 154.743-107.615 127.043-175.529 148.505 -63.102 121.976 177.799 138.185 0.731 110.656 82.691 143.881-144.894 94.246 134.040 102.191 6.939 120.933 179.359 109.488 -82.683 121.110-176.636 162.124 1.703 124.634 -75.233 160.667-169.358 125.989-168.638 157.463 -76.119 119.396-177.498 80.208-129.179 129.894 179.572 149.827 152.850 127.119 -68.377 128.979-110.380 129.284 92.914 0.000 0.000 118.389 0.000 133.946-172.450 # 90 total E -1.02162E+00 rmsd from N 0.000 %NC 0.00 91.720 54.695 137.221-102.324 93.102 -70.148 122.148 -39.008 128.637-169.714 103.069 -85.480 124.704 175.585 125.931 -69.675 92.138 70.806 129.722 -76.667 119.393 166.271 110.479 -77.056 125.028-179.920 164.345 -96.591 124.824-176.576 131.991 116.707 125.017 170.399 0.000 0.000 116.975 48.599 94.658 71.563 122.696 -96.685 116.678 -79.724 126.471-161.659 151.920 133.918 130.487 -71.023 139.106 125.807 94.526 168.742 112.353 -82.239 93.818 78.711 118.037-136.344 131.995 -89.395 112.931 -27.159 119.480-160.320 134.289 -32.794 126.826 -85.973 142.306-166.392 120.566 176.970 132.893-159.017 93.914 79.094 137.785-118.081 120.437 151.824 172.938 164.092 129.667 -88.647 157.223 -74.212 125.550-164.139 124.342 -96.061 113.600 172.070 89.258 118.036 94.939 95.940 120.421-128.095 127.075 11.304 142.280 131.100 138.899 -86.156 0.000 0.000 116.947 0.000 132.108-165.920 # 91 total E -8.89978E-01 rmsd from N 0.000 %NC 0.00 122.552-126.446 151.102 -93.376 127.299-167.755 133.355 -6.547 131.336 -98.655 88.981 -72.496 118.470-179.504 137.581-110.584 116.001 86.002 151.078 -97.526 123.118 170.242 123.548 -68.439 124.078 177.837 135.164 -93.315 126.392 -68.892 120.500 112.886 133.894 67.639 0.000 0.000 125.160-179.154 131.897-145.214 126.569 -79.914 137.798-103.363 117.510 -29.545 161.919 11.617 93.270 153.824 129.613-150.542 114.093 98.509 155.084 -28.719 125.744 170.169 152.473-119.858 126.452-179.166 151.966 -54.240 122.511 173.714 136.522 -16.867 112.038 86.674 146.647-149.614 127.705 -85.229 95.609 -55.801 115.751-175.592 104.034 -73.028 130.550-177.324 126.142 -99.499 122.495-170.533 132.129 -90.577 128.082 -92.749 151.040-154.093 128.330-168.393 149.497 -85.199 131.048-176.285 145.137 -1.520 114.488-176.956 114.890-114.436 127.272 176.370 0.000 0.000 120.093 0.000 135.678-177.499 # 92 total E -6.90892E-01 rmsd from N 0.000 %NC 0.00 124.158-129.558 125.998 -14.687 124.355 -84.472 141.753 -31.852 125.194-172.154 128.873 -29.088 121.240-169.395 132.455-118.781 130.250 -84.802 156.119 -90.547 127.086-168.366 118.898 -78.223 126.367-172.635 141.007 -91.483 125.485-168.085 136.455-110.773 137.223 -61.375 0.000 0.000 118.166 80.066 124.201-136.519 95.277 135.607 128.645 -86.287 114.365 126.694 139.910-151.490 130.653 -96.425 103.761 -76.038 119.857-162.200 153.899 -19.059 128.493 -92.488 157.885-164.534 128.039-169.353 145.194 -61.524 125.873-174.747 138.816 -16.762 124.317-172.957 152.337-152.351 129.769 -80.013 136.032 -12.121 124.858-160.349 114.478 -77.749 129.797 -97.837 167.858 6.514 125.544-167.897 169.491-172.310 127.032-163.577 150.011-111.858 127.702 -80.564 115.957 83.271 129.675-170.573 163.494 163.517 127.121 -70.217 124.854-115.550 135.541 -85.078 0.000 0.000 115.872 0.000 137.991 -37.779 # 93 total E -6.87766E-02 rmsd from N 0.000 %NC 0.00 122.561-126.171 150.740 -94.257 129.159 -92.191 127.206 -30.092 127.034-174.902 156.837 176.163 124.178 176.721 167.253 -54.876 115.366 85.767 148.640 -87.562 123.451 171.458 126.556 -73.248 125.961-175.185 139.008 -85.925 123.781-172.067 125.698-112.181 137.791 -64.632 0.000 0.000 127.857 81.422 137.190-171.411 127.052 172.886 136.052 -86.268 122.635 175.532 120.382 -70.587 93.698 81.786 107.976-138.028 122.296 168.046 103.465 -90.025 126.479-167.173 155.745-136.874 128.326 -87.327 108.411 -31.021 124.143-179.066 142.096 -33.224 118.525 99.145 155.955 -23.248 131.049-111.450 102.951 -45.480 123.499 -84.244 157.504-146.528 118.652 179.608 158.252 -9.052 122.302 177.676 141.741-107.791 124.520 171.039 157.880-173.461 121.995 105.304 125.033 -61.301 130.987-100.361 159.539 11.550 124.619-174.086 123.311-103.652 128.388 176.264 0.000 0.000 120.074 0.000 136.678 169.488 # 94 total E 1.12612E+00 rmsd from N 0.000 %NC 0.00 91.722 58.066 139.384-109.285 116.908 170.471 154.760-108.080 118.779 50.444 140.624 -7.306 122.580-175.806 140.844-102.129 125.053 179.101 143.498 -56.459 92.144 85.439 80.971-106.570 94.320 87.222 119.349-108.940 93.495 119.930 128.552-118.971 137.936 -90.398 0.000 0.000 121.317 170.252 120.576 -29.776 114.473 84.592 121.038-110.323 129.848 -74.179 153.790 142.008 108.321 -28.072 130.193 -18.242 94.075 168.888 141.869-129.462 118.885 101.496 141.556 -77.462 130.021 -96.750 123.398 27.400 128.410-169.507 137.784 -49.734 123.035-178.835 161.240 -16.537 125.303-177.295 121.747 20.778 124.415 -81.453 102.314 -75.838 126.701-169.521 144.453-114.076 127.313-166.769 159.057 -75.000 120.154 -87.533 149.442-149.564 128.136-172.952 131.387 -38.666 128.655 -83.167 156.785 144.860 93.711 84.605 122.470-119.275 133.250 9.197 0.000 0.000 114.260 0.000 97.389 -95.804 # 95 total E 2.50389E+00 rmsd from N 0.000 %NC 0.00 122.563-125.688 150.918 -87.828 128.639 -89.988 136.899 -18.983 126.056-174.439 144.851-137.409 127.917-176.939 141.477 -76.858 128.205-178.792 148.224 -76.083 121.990 173.248 116.245 -70.499 126.448 100.643 161.098-112.114 126.109 172.778 151.621-138.079 126.228 42.533 0.000 0.000 130.948 94.075 122.905 49.124 125.909-101.319 119.696 -81.735 127.062-178.201 159.871 127.985 113.190 164.996 138.246 149.548 119.715 105.154 137.382-164.943 129.330-100.079 154.734-103.117 127.746-166.912 130.763 -35.876 126.073-162.827 141.898 -34.109 124.684 -89.528 161.488 -15.819 128.487-161.684 116.372 131.368 125.844 -79.991 147.208 -20.448 129.530-175.636 175.248 162.623 123.740 179.324 169.947-126.902 125.028 171.187 157.488-124.004 122.092 104.914 126.574 -60.164 131.117-100.048 158.901 11.563 125.015-174.591 124.323-102.430 136.126 -85.226 0.000 0.000 116.911 0.000 131.445-162.099 # 96 total E 3.24309E+00 rmsd from N 0.000 %NC 0.00 123.906-136.145 126.458 -28.191 115.670 -60.716 146.418 -3.720 110.506 74.323 132.866-125.712 119.807 170.308 141.545-104.131 127.709-177.378 151.245 -88.531 125.525-169.443 125.925 -69.757 126.614 -93.834 167.719-111.750 125.648-176.119 116.503-109.115 125.576 168.936 0.000 0.000 130.198 -99.822 116.806 -47.550 128.066-163.098 142.767 -81.747 130.435 -63.899 158.635 160.976 131.684 85.341 129.117-139.608 128.921 -85.710 154.529-163.702 127.191-170.242 155.205-111.504 127.540-174.511 144.794 -59.857 125.453-167.520 135.664 -25.948 125.316 -85.085 153.425-156.847 127.891-162.773 136.647 177.026 126.329 -78.249 165.948-163.368 131.086-168.178 119.035 -97.265 122.489-176.768 135.631 -95.625 131.340-179.049 159.787-150.273 114.794-178.633 81.631-128.864 131.059-177.845 148.143 163.161 124.636-176.024 130.001-106.818 135.859 -84.835 0.000 0.000 116.870 0.000 131.221-160.186 # 97 total E 3.95663E+00 rmsd from N 0.000 %NC 0.00 112.557 -35.137 151.544 -96.509 125.249-176.546 161.439-159.812 130.631-170.747 108.983 -76.149 126.830 -84.370 164.019 -84.420 129.902-160.416 150.020 -76.676 129.981 -82.693 179.982 150.643 126.797-170.020 165.080-113.775 125.842 -68.263 141.179-110.851 132.106 67.514 0.000 0.000 122.850-179.889 133.630-158.875 128.871-174.805 148.211 -67.542 122.378 170.382 171.694-177.826 112.631 46.819 138.603-150.069 116.424 177.702 152.174 -30.901 127.021-177.507 145.396 170.646 127.131-178.497 131.495 -35.907 126.249-178.629 153.779 -94.850 124.241 177.640 141.089 -74.269 124.827 173.422 128.543 -56.808 123.977-179.308 105.528 -76.767 129.965 -87.188 113.996-106.794 127.087 0.229 167.940-123.861 116.197 -48.047 124.586-123.292 97.604-177.992 114.494 -46.651 134.702 -86.622 157.954 161.843 118.381-175.300 179.982 54.310 136.281 -84.586 0.000 0.000 116.315 0.000 141.178 28.997 # 98 total E 6.58215E+00 rmsd from N 0.000 %NC 0.00 91.723 2.507 114.820-131.443 92.703 169.028 150.773-112.547 131.283 35.635 150.017-163.605 119.612 72.894 153.499-120.180 92.421 120.486 125.969 -73.378 111.811 -80.918 179.982 160.878 94.073 6.047 118.255-107.311 121.113-140.922 123.929-118.878 131.961 171.195 0.000 0.000 93.623 83.373 125.034-141.828 129.061 175.077 124.829-103.936 113.685 37.945 117.951 -77.917 117.491 81.526 146.858-145.917 117.909 -55.639 157.237 -20.424 120.222-128.629 155.455-130.444 127.004 60.872 157.913-110.292 130.279 171.541 140.928 -8.908 92.720 78.478 119.625-136.601 117.528 150.205 135.567-169.702 124.176 -95.725 119.545 -86.241 128.428 -70.862 173.804 151.985 123.199-170.632 138.280 -96.968 127.085-177.068 148.397 3.592 126.121-172.551 136.027 -78.663 130.336 -99.653 156.047 2.904 126.509-174.341 141.563-123.566 129.452-170.095 0.000 0.000 119.002 0.000 127.069 35.123 # 99 total E 2.72400E+20 rmsd from N 0.000 %NC 0.00 107.031 -40.163 147.979-111.867 111.921 131.006 148.062 -91.182 119.926 -17.304 137.975 175.000 137.826 25.673 118.093 -83.667 121.474 -86.941 151.183 -70.299 126.019-135.036 164.019-134.145 132.113 174.751 169.120-116.394 155.961 176.389 122.418 68.917 117.214 168.513 0.000 0.000 166.996-137.670 93.645 9.175 126.470 -55.003 169.825 -75.177 112.636 -56.923 148.992-155.709 122.932 5.190 127.166 -59.924 119.501 -21.781 163.645 9.816 121.263 -35.281 150.262 156.798 78.646-119.827 160.953 95.133 116.307 14.337 157.533-131.862 158.730 -89.466 117.800 -93.902 128.364 1.930 110.178 -14.876 95.741-169.745 154.450 -28.943 114.057 74.839 140.181 -13.298 154.606 55.922 147.365 -73.596 137.790 -54.384 133.408 29.431 106.836 -85.350 153.806-120.695 95.416 9.924 150.567 0.193 121.451 -67.393 166.991 -50.297 91.075 38.386 0.000 0.000 112.553 0.000 131.436 148.088 # 100 total E 8.83613E+42 rmsd from N 0.000 %NC 0.00 124.259 36.176 155.201 -78.713 118.481-130.106 133.553-105.850 144.605 82.530 108.440 -84.058 122.177 -26.886 164.567-126.716 102.506-158.046 151.686 -79.850 121.288 50.561 137.842 173.614 116.225 84.346 161.692 -43.907 63.924-178.146 151.988 177.155 91.805-175.135 0.000 0.000 124.984 158.416 148.775 -50.286 124.407 110.677 117.304 -96.091 94.355 84.588 141.588 -14.225 118.244-174.490 143.130 -34.451 111.008 -73.115 127.035 -91.650 146.798 -29.771 151.957 154.279 104.442 93.910 150.484 -73.038 102.710 40.512 171.846 158.135 120.139-100.124 153.679 -20.776 117.611-123.628 112.135-171.579 79.834-131.186 140.649-112.431 130.479 138.104 102.087-100.848 96.322 -94.399 141.651 -75.986 103.876 166.460 171.543 35.083 122.367-123.813 161.942 -3.302 150.638 140.700 110.608 -83.062 107.847 4.324 138.008 -48.266 111.298 -14.344 0.000 0.000 137.944 0.000 121.144 -22.594