jlee = 1 nbank = 100 nstep = 100 40538 0 1804.02658 # 1 total E -1.37668E+01 rmsd from N 0.000 %NC 0.00 116.868 177.148 122.105 -15.123 127.434 -97.787 0.000 0.000 135.237-158.621 104.388 -54.197 122.375-114.217 121.497 -80.769 153.239 158.740 160.685 -88.742 92.874 -5.518 126.707-133.917 110.178 -63.559 149.140-145.069 116.027-172.150 0.000 0.000 121.316 17.262 140.730-103.386 112.928 177.190 137.775-126.745 94.262 57.309 141.949 -74.148 95.430 102.868 150.209 -29.929 113.034 168.889 155.934 -37.476 129.925 -11.115 0.000 0.000 115.347 171.663 148.074 -92.961 133.385-177.444 142.719-104.376 129.907-169.419 139.946 -86.423 122.374 18.095 147.826-156.375 129.279-158.164 0.000 0.000 119.547 0.000 137.765-175.487 # 2 total E -1.36064E+01 rmsd from N 0.000 %NC 0.00 93.100 128.583 113.067 10.631 116.448 171.185 0.000 0.000 133.380-178.697 107.118 -66.218 94.620 1.293 115.743 -76.916 116.232-177.460 137.296 -86.612 128.107-101.868 138.895 128.842 96.792 9.769 144.338-139.456 98.522 158.533 0.000 0.000 134.715 166.044 113.587 -66.817 120.640 -7.742 162.146 8.954 126.513-175.557 138.888 -72.109 94.782 52.101 154.421 -30.070 110.602-173.299 151.109 -18.750 122.639 -13.645 0.000 0.000 115.566 172.315 150.844-111.819 117.403 3.524 164.864 -85.317 115.888-175.351 135.941 -94.265 129.825 -58.620 144.260-142.411 97.211 152.836 0.000 0.000 119.659 0.000 133.739-149.774 # 3 total E -1.33411E+01 rmsd from N 0.000 %NC 0.00 123.734-118.571 121.626 -33.504 110.508 -8.854 0.000 0.000 116.787 171.318 98.748 -51.216 95.866 56.559 115.096 -77.669 124.506 158.721 164.588 -93.991 93.866 5.463 115.433 -85.351 109.278-101.925 138.771-109.299 94.973 27.842 0.000 0.000 96.472 79.376 123.582 -66.931 134.640 156.445 151.478 157.845 125.691 -96.343 174.351 -59.404 119.278-107.301 154.512-151.585 122.256 -65.078 110.156 -81.383 120.640 -68.404 0.000 0.000 111.914 178.897 147.245 -93.535 129.603-104.903 139.626-103.433 126.674-109.610 139.838 -91.132 123.661 10.859 149.607-155.985 136.714 -89.936 0.000 0.000 113.404 0.000 137.496 -42.248 # 4 total E -1.26772E+01 rmsd from N 0.000 %NC 0.00 113.354 12.962 144.297-146.091 123.777 -9.539 0.000 0.000 127.474 80.894 99.599 -65.110 136.436 166.730 159.555 -84.894 94.130 -1.445 142.888 -76.099 110.011 175.160 142.750 176.953 132.739-141.551 151.713 0.308 94.793 49.739 0.000 0.000 93.285 61.488 136.476-102.910 93.532 89.919 111.308 -79.914 92.850 58.778 128.715-109.760 104.319 155.392 100.482 -87.180 119.575 -67.932 138.941-170.275 100.590 -45.620 0.000 0.000 92.571 118.079 137.787 -74.866 94.986 57.876 140.904 -74.721 118.004 161.362 136.913-109.191 130.132 178.088 147.118-167.031 137.950 -84.025 0.000 0.000 113.219 0.000 137.613 -41.643 # 5 total E -1.24478E+01 rmsd from N 0.000 %NC 0.00 114.444 13.402 121.751 -34.108 138.222-171.442 0.000 0.000 110.452 -2.263 163.091 179.202 96.246-170.619 138.262 -55.663 111.458 -5.709 167.085-106.649 104.098 179.359 135.881-142.085 122.581 -78.664 155.383 -41.876 95.962 -12.685 0.000 0.000 94.086 101.397 127.002 -61.206 135.748 178.103 143.083 -18.857 123.625-163.845 136.079 -99.251 134.373 177.757 112.843 -88.905 120.239 15.740 112.070 -83.151 112.980 175.262 0.000 0.000 134.802-172.433 176.479 -78.900 122.643 150.474 139.406 -89.750 114.882 107.452 131.476-103.762 134.175-177.140 143.047-139.629 120.307 175.419 0.000 0.000 120.616 0.000 128.272-161.176 # 6 total E -1.21830E+01 rmsd from N 0.000 %NC 0.00 114.069 153.886 121.943 -38.172 132.071 -20.677 0.000 0.000 125.815 176.284 141.347 142.868 129.650-175.272 152.680 -95.921 94.708 59.910 142.089 -74.200 93.766 99.112 130.206-134.872 135.271 177.118 111.144 -84.855 95.937 53.458 0.000 0.000 95.112 89.771 125.416 -58.849 133.945 174.156 150.076 -8.591 131.334 172.828 144.689 -91.733 128.271-173.696 152.106-169.693 118.495 15.760 152.131 -20.560 124.751-174.606 0.000 0.000 117.466 106.691 137.352 -59.406 131.343 176.526 139.811 -91.550 128.860-121.106 124.383 -64.571 93.887 58.835 130.009-101.712 130.615 10.844 0.000 0.000 115.846 0.000 115.106-128.173 # 7 total E -1.21388E+01 rmsd from N 0.000 %NC 0.00 123.825-112.496 126.023 -35.784 117.901 -10.084 0.000 0.000 121.591 101.602 160.448 40.944 93.991 47.519 114.352 -78.255 115.522-103.246 170.313 -80.972 122.008-167.287 139.711 51.444 125.232-115.774 152.284 -37.521 95.538 37.944 0.000 0.000 92.777 62.290 129.837 -79.658 92.573 90.826 146.280-121.292 94.120 66.634 128.085-103.920 95.202 119.301 149.683 -34.333 115.655 25.979 143.126-147.557 124.204-173.978 0.000 0.000 126.462-175.677 150.140 -91.518 134.173-176.866 141.838 -86.331 128.312-171.379 140.937 -90.161 125.571 19.688 147.304-155.138 136.026 -91.299 0.000 0.000 117.410 0.000 134.693-162.318 # 8 total E -1.13094E+01 rmsd from N 0.000 %NC 0.00 123.651-103.147 144.061-151.322 133.706 -13.971 0.000 0.000 126.034-174.164 147.563 147.332 121.007 103.072 149.302 -74.182 93.697 69.946 135.883 -91.672 92.287 99.468 128.143-130.913 122.492-168.844 146.708-147.565 114.680 0.637 0.000 0.000 119.803-179.315 110.305 -46.909 125.146-111.203 138.220-135.336 109.495 1.355 166.770 -66.263 95.558 116.965 109.881 -83.925 131.648 175.620 158.333-155.464 111.358 -27.037 0.000 0.000 106.416-175.397 101.338 76.134 127.431 -3.825 128.182 -98.639 128.745 178.879 131.046 -78.384 134.444 123.024 140.327 135.365 115.158 163.383 0.000 0.000 121.413 0.000 128.833 175.667 # 9 total E -1.11526E+01 rmsd from N 0.000 %NC 0.00 114.514 14.219 119.821 -30.351 149.345-171.497 0.000 0.000 117.200 136.204 167.016 13.478 94.146 -1.937 113.184 -80.122 121.122-116.843 127.484 -91.995 93.954 172.004 132.112-137.786 142.400-174.448 117.758 -93.831 118.186 -4.985 0.000 0.000 122.119 171.406 112.799 -48.252 122.387-178.274 141.586-125.745 95.858 52.481 133.326 -97.005 96.094 94.693 141.764-141.472 127.470 177.035 155.853 -6.185 118.596 -17.215 0.000 0.000 115.718 167.504 152.194-141.677 97.822 8.319 130.262 -82.847 120.141-173.993 139.762-111.235 131.053 -53.140 143.626-120.735 97.281 152.485 0.000 0.000 119.660 0.000 134.592-150.721 # 10 total E -1.11387E+01 rmsd from N 0.000 %NC 0.00 93.168 129.948 149.893 143.181 117.439 50.941 0.000 0.000 96.396 60.537 96.331 -67.319 131.158 173.642 156.653 -95.020 131.882-175.790 150.600 -58.463 101.186 -8.436 131.744-143.819 118.964 30.032 152.127-152.905 145.053 -6.864 0.000 0.000 120.630 179.115 105.374 -72.828 141.640-142.217 148.198 16.829 95.021 49.373 104.522 -87.281 95.555 95.155 129.488-129.590 123.723-177.065 151.491-157.333 94.954 51.519 0.000 0.000 92.600 67.180 137.225 -79.731 93.533 73.822 141.621 -75.241 95.971 105.867 122.233-110.825 127.208 10.574 142.558-140.661 135.363 -79.307 0.000 0.000 116.938 0.000 134.504-161.600 # 11 total E -1.08539E+01 rmsd from N 0.000 %NC 0.00 93.050 127.223 125.081 -15.865 134.755 -73.198 0.000 0.000 131.420 168.092 154.164 81.463 95.323 106.090 128.320-163.347 143.590-166.458 152.697 -78.874 93.080 52.280 129.421-142.067 109.909-110.492 149.134 -26.471 132.262 177.222 0.000 0.000 117.423 98.366 121.941 -71.247 134.643 169.502 152.344 166.958 132.045 170.664 144.013 -82.718 120.372 103.296 148.824-157.124 122.489-178.448 152.353 -14.005 122.798 -8.064 0.000 0.000 118.114 177.366 148.354 -93.365 128.347 177.384 163.561 -58.455 94.151 46.185 142.058 -74.976 110.133-169.840 150.182-145.876 138.483 -76.160 0.000 0.000 117.733 0.000 129.683-166.527 # 12 total E -1.06886E+01 rmsd from N 0.000 %NC 0.00 121.995-136.765 124.246 -34.640 125.620 -9.392 0.000 0.000 137.358 176.808 156.548 10.067 114.764 176.838 148.612 -86.317 122.125 107.882 170.016 -76.836 92.698 60.852 125.117-121.293 113.270 178.371 150.929 -22.741 138.577 166.187 0.000 0.000 115.451 55.556 128.677 -64.831 128.193 173.623 153.625 168.461 134.372-166.182 141.536 -60.665 117.641 -21.451 108.706 -88.556 93.504 -54.772 110.481 -82.531 93.883 92.535 0.000 0.000 126.197-109.311 155.091 -82.212 137.622-121.129 132.761 -63.002 95.144 25.855 129.364-109.563 113.420-123.261 147.238 -99.655 121.544 13.729 0.000 0.000 103.048 0.000 98.057 -28.140 # 13 total E -1.06371E+01 rmsd from N 0.000 %NC 0.00 123.385 -73.809 131.932 -51.128 96.353 17.513 0.000 0.000 116.707 75.034 94.029 -96.538 130.195 168.076 140.228-133.282 117.706 -4.631 168.761 -56.527 101.232 176.537 134.365-139.157 134.614 173.918 163.324 171.460 108.567 -1.801 0.000 0.000 111.177 179.236 132.393 -74.487 135.211 169.239 149.070 -9.187 126.987-172.149 143.448 -96.785 114.631-106.875 148.829-141.151 97.693 8.645 149.313 -28.483 99.109 171.601 0.000 0.000 129.567 104.301 139.736 -66.735 121.107 166.848 138.589 -97.261 127.296 106.763 135.610 -89.565 129.322 177.478 147.697-172.952 137.592 -84.073 0.000 0.000 113.195 0.000 137.462 -41.726 # 14 total E -1.03285E+01 rmsd from N 0.000 %NC 0.00 93.021 116.623 141.385-134.243 133.285-179.792 0.000 0.000 127.201-170.571 101.462 -52.125 116.064 -1.136 120.448 -79.339 124.589-173.343 143.699 -93.587 132.070-176.759 144.709-114.259 122.730 -62.409 152.796 -13.825 115.130 -67.008 0.000 0.000 93.960 165.787 134.861 -86.080 133.947 3.930 155.734-175.743 120.682-176.578 165.124 -70.293 104.758 -0.492 138.180-158.537 104.044 -93.169 146.770-133.479 104.659 -12.255 0.000 0.000 93.863 102.923 138.585 -78.305 95.491 66.717 160.575 -79.229 113.640 141.394 128.828-100.667 131.134 177.425 143.699-163.031 137.934 -86.520 0.000 0.000 117.335 0.000 134.566-162.115 # 15 total E -9.98017E+00 rmsd from N 0.000 %NC 0.00 113.343 12.550 144.021-146.312 132.071 -14.983 0.000 0.000 128.656-167.193 101.528 -49.835 120.242-106.865 123.896 -82.066 127.137-101.028 170.564 -88.101 138.242-169.178 149.299 132.619 111.783 -56.598 145.783-142.427 102.445 -35.641 0.000 0.000 94.861 93.842 121.458 -62.775 126.511 125.747 152.659 147.493 95.356 10.740 145.324 -77.078 112.908-177.324 111.377 -84.811 125.494-166.251 125.217 -83.031 123.255 -1.752 0.000 0.000 114.221 171.130 147.693 -94.210 137.202-164.471 155.439 -98.819 96.882 3.822 135.796 -97.408 115.177 -77.469 146.075-121.771 97.874 158.620 0.000 0.000 119.504 0.000 130.867-139.788 # 16 total E -9.96705E+00 rmsd from N 0.000 %NC 0.00 115.761 176.541 138.117 -54.921 131.197-178.240 0.000 0.000 126.261 174.810 141.425-141.799 94.337 2.001 118.982 -75.220 116.485-170.848 168.512 -59.170 137.077-170.076 133.038-114.457 96.621 21.333 149.195 -28.880 118.130-174.342 0.000 0.000 133.262-179.228 140.132 -78.781 130.327 3.824 150.170 14.293 135.070 -1.564 145.346 -89.964 97.212 171.028 141.134-140.995 121.660 20.473 142.362-165.967 125.355-173.430 0.000 0.000 126.109-175.806 156.119-130.117 116.636 1.395 136.651 -90.641 115.892-174.319 164.910 -73.196 126.368 15.608 144.766-138.965 127.800-161.021 0.000 0.000 119.899 0.000 135.953 175.107 # 17 total E -9.96134E+00 rmsd from N 0.000 %NC 0.00 122.086-129.036 139.355 -87.123 125.852 179.799 0.000 0.000 127.106 178.211 149.328 171.587 124.587 70.026 152.090 -51.366 135.345 176.750 145.016 -68.842 92.882 60.782 126.111-136.060 111.948-174.705 147.216-145.514 124.908 -12.168 0.000 0.000 121.202 159.890 133.607 -71.802 128.320 106.133 149.303 9.380 95.388 98.034 125.548 -93.373 96.870 67.172 139.856-140.178 114.935-128.319 150.952-142.660 107.408 -10.720 0.000 0.000 94.007 106.929 138.664 -77.511 95.348 66.543 160.801 -73.430 95.671 98.316 133.760-113.861 120.461 174.981 145.869-134.935 97.360 77.581 0.000 0.000 113.811 0.000 137.185 -43.062 # 18 total E -9.87137E+00 rmsd from N 0.000 %NC 0.00 124.086-112.583 120.787 -30.256 106.994 -5.929 0.000 0.000 115.257 116.585 123.736 59.375 94.010 64.806 115.425 -76.818 113.829-163.137 167.081 -54.847 126.614-169.736 152.352-153.846 123.944 174.365 158.864 -30.549 131.949 -9.293 0.000 0.000 129.220-178.411 114.448 -48.068 126.997-121.744 153.545-165.440 116.919 -7.163 167.344 -60.945 94.922 166.568 141.404-141.679 136.853 152.384 158.937 -4.388 96.244 49.215 0.000 0.000 121.774 171.708 149.034 -90.581 140.845 114.177 149.141 -82.163 132.874 177.188 139.566 -78.721 125.200-179.023 141.228-155.159 141.141 -73.774 0.000 0.000 116.995 0.000 130.100-150.718 # 19 total E -9.72674E+00 rmsd from N 0.000 %NC 0.00 120.592-152.270 121.099 -25.753 121.138-111.048 0.000 0.000 121.252 5.314 147.725 171.454 95.593 169.332 136.424 -52.891 132.177 67.153 129.306-123.311 126.899 171.449 147.425-155.222 124.340-179.931 150.706 -22.060 119.744 -10.770 0.000 0.000 119.107 168.159 118.792 -51.833 138.775-177.676 114.640 -80.755 120.642 58.087 133.874 -85.897 114.902 169.362 147.949-156.856 127.262-176.457 147.168-147.090 111.529 25.282 0.000 0.000 93.216 71.206 143.969-118.071 92.774 74.080 141.575 -74.668 94.879 91.054 119.663-113.218 120.932 176.815 140.355-136.908 137.687 -80.062 0.000 0.000 117.094 0.000 134.361-162.154 # 20 total E -9.60606E+00 rmsd from N 0.000 %NC 0.00 122.106-128.850 139.340 -83.735 127.775 179.803 0.000 0.000 126.902 177.465 148.348 169.183 93.575 2.338 140.741 -74.330 113.961-165.769 168.310 -47.567 129.732-113.864 141.370-124.808 95.433 61.731 109.527 -82.457 94.721 70.968 0.000 0.000 94.003 26.685 127.126 -57.288 115.998 172.078 135.015-133.683 94.958 49.697 141.806 -74.078 96.072 109.677 141.676-143.805 121.133 133.922 157.273 -23.138 127.959 44.943 0.000 0.000 129.834 -1.852 151.421 -94.354 124.899 -0.235 166.750 -65.842 131.022-169.885 142.309 -92.039 130.672 -52.182 143.698 -86.672 97.348 119.831 0.000 0.000 119.450 0.000 134.293-162.342 # 21 total E -9.58234E+00 rmsd from N 0.000 %NC 0.00 123.240-123.452 123.595 -35.137 125.344 -11.075 0.000 0.000 131.766-171.584 158.828 21.846 119.922-104.906 135.223-156.294 94.530 60.664 166.811 -71.395 91.583 69.459 127.734-121.861 104.683-174.745 126.866-108.192 135.124 158.726 0.000 0.000 93.950 73.692 132.284 -88.331 136.777 175.092 97.113-104.208 125.325-177.809 165.856 -56.025 128.199 174.166 153.585 -14.685 123.437-178.672 152.167 -15.583 120.917 -11.243 0.000 0.000 113.889 167.452 155.535-154.762 95.635 17.206 141.873 -74.612 116.265-178.894 165.671 -79.857 127.402 97.471 141.579-127.846 137.893 -83.928 0.000 0.000 113.373 0.000 137.920 -41.465 # 22 total E -9.53663E+00 rmsd from N 0.000 %NC 0.00 114.651 168.410 128.283 -2.386 122.595 63.800 0.000 0.000 120.939 2.240 98.185 -66.220 96.139 168.347 117.976 -76.288 129.287-178.203 167.981 -93.466 115.366 178.715 148.515-150.108 118.817 17.052 140.665-165.186 124.568-175.019 0.000 0.000 128.813 179.825 115.095 -48.432 124.084 163.768 155.838-164.505 95.953 11.649 142.334 -74.047 116.921-171.929 152.257 -21.342 120.175 178.714 147.629-121.852 120.444 -9.707 0.000 0.000 99.110 170.325 138.564-101.867 137.553-171.396 142.837 -73.129 95.416 61.076 135.120-103.987 100.948 177.274 125.295-100.827 138.933 -88.702 0.000 0.000 114.829 0.000 154.425-167.140 # 23 total E -9.50903E+00 rmsd from N 0.000 %NC 0.00 122.976-129.513 119.248 -31.370 109.134 -4.353 0.000 0.000 138.621-121.977 139.625 -40.841 94.326 13.484 114.004 -76.956 111.929-169.910 135.070 -65.660 93.015 63.792 129.001-145.310 104.077-179.969 149.095 -28.930 140.506 175.200 0.000 0.000 97.790 177.053 131.820 -86.184 132.868 2.023 148.227 165.388 121.532-177.600 136.395 -95.136 130.365 178.613 111.569 -87.641 123.807 13.333 112.328 -83.214 98.388 174.699 0.000 0.000 125.319-175.804 144.060 -62.779 125.928-175.250 167.091 -72.858 130.855-115.666 142.314 -90.165 130.818-179.140 154.946-102.259 126.848-178.435 0.000 0.000 120.231 0.000 131.603-162.978 # 24 total E -9.26653E+00 rmsd from N 0.000 %NC 0.00 113.586 12.855 145.543-149.324 130.845 -63.501 0.000 0.000 118.255-178.220 142.148-133.169 93.512 -6.028 118.799 -77.594 117.684-169.237 166.502 -36.021 119.374 -90.381 119.249-125.885 94.985 -1.142 143.960-137.255 97.653 78.410 0.000 0.000 139.231-163.015 169.755 -85.674 133.727-162.542 154.971 157.755 121.668 6.977 139.857 -87.112 96.958 173.431 140.577-141.434 116.249 17.442 141.305-141.931 120.318-177.093 0.000 0.000 118.156 -0.077 148.211 -91.497 124.536-175.621 139.195 -90.146 129.804-177.048 141.767 -91.579 125.216 95.646 148.029-151.596 137.949 -86.693 0.000 0.000 117.305 0.000 134.509-162.007 # 25 total E -8.85337E+00 rmsd from N 0.000 %NC 0.00 124.085-112.142 121.635 -28.776 115.090 -6.576 0.000 0.000 96.344 150.246 95.035 -42.267 94.219 56.388 113.858 -76.140 124.714 178.222 169.364 -56.423 111.070 -6.917 141.926-119.689 96.151 -65.027 154.066 -23.999 100.246 -49.242 0.000 0.000 91.683 116.025 112.621 84.602 111.949 36.626 126.329-122.681 96.558 164.505 140.254 -76.040 119.736 -10.178 151.923 -24.650 116.165 19.368 111.660 -83.284 129.127-176.358 0.000 0.000 115.523 -0.257 146.003 -85.938 121.566-174.184 136.375 -78.752 94.718 55.348 141.841 -75.775 101.835-173.998 132.154-108.702 138.700 -71.097 0.000 0.000 117.328 0.000 130.536-162.900 # 26 total E -8.84532E+00 rmsd from N 0.000 %NC 0.00 123.101-115.803 144.735-152.907 128.820-178.207 0.000 0.000 128.996 174.363 93.120 -53.762 93.788 56.805 116.458 -77.715 95.308 89.161 144.554 -75.723 92.705 71.836 135.451-178.414 114.256 179.053 151.621 -24.040 135.454 -12.546 0.000 0.000 129.108-115.362 138.392 50.460 134.285-172.691 100.441 -85.665 123.011 -1.159 136.131 -81.892 97.047 172.018 141.160-140.236 120.355 20.250 157.174-176.726 124.824-174.063 0.000 0.000 125.477-172.661 157.512-135.166 116.119 1.121 136.633 -90.836 114.899-176.923 165.255 -77.532 126.818 92.224 144.267-134.169 137.925 -86.364 0.000 0.000 117.282 0.000 134.477-161.732 # 27 total E -8.64918E+00 rmsd from N 0.000 %NC 0.00 124.281-104.235 123.886 -29.767 117.085 -14.226 0.000 0.000 95.999 141.080 163.190 131.287 93.682 16.628 114.950 -76.287 116.199-170.890 145.606 -84.206 128.538-109.199 144.902-127.923 96.184 17.989 143.946-138.664 123.884-178.005 0.000 0.000 94.070 10.369 123.430 -56.341 124.103 167.813 154.243 5.979 96.737 54.985 137.883-106.240 122.442 161.919 109.337 -83.961 126.083-179.825 155.484 -14.718 124.179 -12.762 0.000 0.000 116.133 163.843 156.005-138.991 96.990 19.305 131.237 -95.697 117.974-175.414 165.939 -78.785 131.613 -58.232 143.553-132.202 134.425 -78.988 0.000 0.000 113.076 0.000 137.662 -41.801 # 28 total E -8.63271E+00 rmsd from N 0.000 %NC 0.00 113.732 160.458 144.213-145.913 130.069 -17.123 0.000 0.000 117.413 171.491 153.706-173.989 95.921 2.590 118.318 -74.185 119.219-175.675 146.623 -78.780 135.982-174.933 137.750-119.049 96.202 21.018 149.223 -29.436 113.655-173.307 0.000 0.000 132.592 15.941 136.249 -42.901 115.772 93.006 99.804 -74.292 96.281 -7.900 164.190 -80.911 99.739-116.017 150.527 -28.816 115.173 -71.352 152.741-176.811 97.688 -51.484 0.000 0.000 91.010 110.044 138.875 -89.218 97.114 60.605 117.396-114.746 129.187 170.057 139.728-103.871 124.869 12.914 147.398-154.895 127.861-158.415 0.000 0.000 119.488 0.000 138.351-176.518 # 29 total E -8.61592E+00 rmsd from N 0.000 %NC 0.00 123.775-100.710 144.613-150.021 130.717 -10.686 0.000 0.000 137.252-178.984 155.909 17.483 114.337-174.184 120.887 -80.119 129.387-178.025 168.841 -94.314 107.176 -5.280 143.473-146.162 98.775 -56.149 145.494-138.806 135.574-171.080 0.000 0.000 129.607-120.626 159.887-119.809 128.572 170.992 146.461 -9.015 129.650-172.619 148.801-105.099 120.564-102.907 152.050-157.424 95.780 18.288 144.279-137.073 125.052-177.070 0.000 0.000 115.060 0.232 148.202 -96.078 120.753-176.191 138.393 -91.971 132.310-174.803 142.770 -91.850 130.251 -59.078 148.678-150.017 134.942 -79.695 0.000 0.000 113.117 0.000 137.578 -41.920 # 30 total E -8.51009E+00 rmsd from N 0.000 %NC 0.00 119.979-154.902 124.653 -28.479 123.885 176.864 0.000 0.000 143.129-179.022 152.017 -5.414 102.233 -90.343 133.369-134.763 119.794 -98.212 163.673 -8.362 123.338 -97.645 143.240-148.445 95.824 30.837 148.852 -29.517 97.527 106.137 0.000 0.000 140.366-177.572 149.183 21.781 121.424 -3.869 95.347 -68.965 115.283-114.752 160.790 -81.363 93.784 26.917 134.051-155.345 106.299-172.756 150.073 -25.387 140.328 177.601 0.000 0.000 119.763-178.020 136.195-116.686 129.179-106.074 144.407-107.819 127.331-104.726 139.985 -91.200 127.869 -51.042 149.822-155.052 134.535 -79.030 0.000 0.000 113.080 0.000 137.726 -41.795 # 31 total E -8.49764E+00 rmsd from N 0.000 %NC 0.00 114.167 163.045 137.626 -63.289 120.469 25.300 0.000 0.000 93.376 66.177 148.897-120.490 89.694 69.176 113.795 -76.834 90.977 75.429 124.482-102.925 91.771 90.117 122.982-130.736 111.755 174.202 136.012-133.068 133.034 -11.702 0.000 0.000 112.825 -7.709 116.174 -61.826 119.381-176.686 104.188 -83.281 132.202-103.740 144.354 -90.287 128.672-174.841 112.113 -84.992 121.478 176.907 154.275-156.913 136.787 -9.656 0.000 0.000 116.674 -5.411 148.156 -92.276 120.248 177.885 139.115 -92.344 133.902-179.024 146.078 -93.461 128.896 178.754 148.807-148.781 137.945 -84.788 0.000 0.000 117.236 0.000 134.173-159.866 # 32 total E -8.18679E+00 rmsd from N 0.000 %NC 0.00 93.013 59.736 141.224-134.874 133.169 -12.049 0.000 0.000 128.865-167.294 103.242 -50.336 124.829-172.602 148.720 -81.460 109.045 1.044 138.941 -86.676 102.490 179.788 132.720-133.746 121.152 16.968 154.344 -21.401 124.930-173.854 0.000 0.000 124.058-172.421 111.280 -48.032 131.453-106.051 154.524 166.181 127.189-104.258 140.183 -91.889 126.004-108.343 110.904 -85.005 120.624 -81.274 153.126-156.380 108.697 -19.084 0.000 0.000 93.461 111.264 137.943 -75.575 94.837 66.173 141.684 -74.705 114.787 145.661 136.160 -94.788 130.840 176.790 144.362-161.067 137.918 -86.453 0.000 0.000 117.358 0.000 134.386-161.824 # 33 total E -8.16363E+00 rmsd from N 0.000 %NC 0.00 123.832 -98.158 145.647-154.764 131.436 -9.295 0.000 0.000 132.662 179.682 102.188 -52.384 117.282 136.827 121.198 -79.632 96.322 -13.081 106.711 -85.246 96.073 -96.937 127.974-117.020 95.206 2.741 149.879 -25.220 118.684 179.299 0.000 0.000 93.893 96.453 125.016 -67.918 130.065 170.848 122.272-138.654 133.077-171.419 136.607 -64.625 120.311 178.181 149.725-157.958 124.050-176.593 147.930-157.919 122.618 4.366 0.000 0.000 95.741 111.040 138.857 -99.352 135.190 163.820 139.109 -91.484 125.606 109.441 137.434 -89.272 128.469 178.942 149.966-152.507 137.675 -83.783 0.000 0.000 113.134 0.000 137.605 -41.707 # 34 total E -8.12752E+00 rmsd from N 0.000 %NC 0.00 123.167-124.457 122.575 -33.996 119.704 -14.614 0.000 0.000 123.845 170.215 150.446 172.943 94.567 2.659 117.451 -75.208 119.385-170.806 169.211 -65.570 129.690-178.821 143.134-120.584 124.536 3.062 153.127 -18.633 130.523 -19.184 0.000 0.000 109.578 175.794 106.040 -45.254 137.939 177.621 150.869-172.885 134.778 173.618 148.108 -79.914 115.490 104.109 150.089-141.480 124.879 178.792 111.129 -84.464 143.236 -17.842 0.000 0.000 112.478 -7.752 147.278 -92.366 111.012 176.554 137.063 -94.641 127.851 6.515 141.535 -97.318 126.928-172.523 149.439-146.422 137.118 -83.327 0.000 0.000 113.242 0.000 137.666 -41.765 # 35 total E -8.07283E+00 rmsd from N 0.000 %NC 0.00 123.995-102.825 128.606 -21.964 124.242-174.698 0.000 0.000 95.455 55.447 144.652-134.026 94.259 159.211 137.895 -8.240 124.571-100.736 164.778-141.122 130.847-179.432 150.427 124.584 115.464 -60.992 149.157-144.783 102.665 -35.021 0.000 0.000 93.088 118.693 134.436 -85.885 113.261 54.952 127.292-126.706 112.798 176.544 137.548 -95.620 127.652 177.207 145.446-163.555 125.923 175.501 112.575 -83.703 135.843 -8.884 0.000 0.000 127.747-115.373 150.923 -95.010 132.156-172.955 136.644 -76.097 95.633 59.387 134.370-102.324 101.157-174.520 129.281-108.780 138.944 -74.675 0.000 0.000 117.615 0.000 129.479-167.232 # 36 total E -8.04196E+00 rmsd from N 0.000 %NC 0.00 123.828 -97.649 144.871-152.199 129.416 -13.960 0.000 0.000 135.442 174.488 143.900 44.058 95.090 21.682 128.486-160.193 119.176-161.854 133.102 -51.739 124.475-172.252 141.294-146.436 116.221 12.687 138.606-148.287 123.713-174.418 0.000 0.000 129.935-118.436 117.678 -49.057 130.910 174.382 159.699-179.960 94.792 3.472 142.649 -73.932 108.236-174.601 145.263-148.479 120.267 7.648 114.997 -82.689 115.473-172.826 0.000 0.000 93.871 63.094 141.879-116.772 95.154 103.243 141.928 -74.455 123.245 101.358 134.808-105.588 129.466 -63.206 147.668-144.474 120.482-162.518 0.000 0.000 120.633 0.000 130.107-178.365 # 37 total E -7.98238E+00 rmsd from N 0.000 %NC 0.00 112.793 157.095 142.163-143.876 138.858 -83.395 0.000 0.000 128.724 178.206 149.453 100.346 93.695 -1.772 115.354 -78.281 117.120-131.122 169.647 -53.192 137.925-167.489 155.989-178.760 106.258 -44.640 112.526 -86.818 96.317 -68.100 0.000 0.000 91.723 100.698 138.931 -95.536 130.099 5.663 110.013 -97.655 134.524-178.742 144.990 -95.147 116.987 1.414 157.129 -20.506 117.395 -66.297 150.362-155.260 99.067 176.642 0.000 0.000 130.852-112.742 144.903 -89.324 131.922-172.719 140.777 -88.288 131.879 178.883 142.411 -90.464 130.136 179.859 154.666-109.268 125.699-179.388 0.000 0.000 120.467 0.000 130.956-162.458 # 38 total E -7.67486E+00 rmsd from N 0.000 %NC 0.00 93.011 115.192 139.890-134.023 140.739 -12.711 0.000 0.000 136.687-117.167 158.976 19.131 123.496-109.213 143.932-135.023 95.143 53.343 166.039 -78.857 92.637 91.636 128.515-123.150 129.947-173.866 151.633-162.464 120.852 -12.960 0.000 0.000 127.091-111.690 107.981 71.962 129.084-177.383 157.408-178.721 131.935-178.497 144.700 -85.834 125.535 179.504 151.416-162.350 117.608 14.293 151.759 -20.572 121.241-174.779 0.000 0.000 119.807 74.701 148.692 -91.191 123.851 173.065 166.613 -68.286 131.027 179.784 142.839 -91.025 129.814 177.968 148.310-152.923 137.737 -84.094 0.000 0.000 113.188 0.000 137.600 -41.618 # 39 total E -7.63850E+00 rmsd from N 0.000 %NC 0.00 118.102 -23.882 145.935-151.716 122.012 76.534 0.000 0.000 118.025 12.808 105.494 -77.192 129.923-172.583 125.685 -88.176 149.041 170.208 143.199 -51.241 92.286 64.507 124.314-143.736 129.586 -47.312 109.735 -84.991 132.435 -3.343 0.000 0.000 112.975 159.900 117.741 -61.140 137.529 -98.080 152.901 9.051 112.036 1.857 120.515 -96.443 97.600 172.439 140.347-138.011 96.808 78.861 146.589-139.546 96.846 93.167 0.000 0.000 125.411-104.918 148.393 -84.966 128.161-178.891 140.625 -91.275 125.641 105.211 140.469-100.829 127.191 179.362 150.367-143.943 137.658 -83.546 0.000 0.000 113.230 0.000 137.566 -41.785 # 40 total E -7.62686E+00 rmsd from N 0.000 %NC 0.00 121.358-141.049 124.631 -31.788 122.567 179.487 0.000 0.000 137.616 179.819 149.636 34.679 95.114 25.004 115.752 -77.354 117.506-163.122 164.394 -54.221 119.450-175.992 146.040-146.810 125.527 167.630 136.862-160.844 136.052 177.936 0.000 0.000 126.968-178.385 111.298 -50.188 123.556 0.453 157.554 171.402 120.895-176.826 136.933 -95.999 130.800 179.463 113.053 -85.830 117.487 15.909 151.497 -20.360 123.351-174.709 0.000 0.000 129.720-114.202 150.381 -87.255 134.182-174.539 137.901 -75.905 95.627 59.677 134.317-102.443 101.237-173.676 129.150-108.460 138.850 -74.807 0.000 0.000 117.848 0.000 129.685-167.351 # 41 total E -7.59002E+00 rmsd from N 0.000 %NC 0.00 123.495-108.065 145.071-152.343 141.099 -12.268 0.000 0.000 129.387-107.308 160.702 30.047 125.856-113.714 140.089-125.645 95.490 33.801 165.993 -78.546 92.928 73.074 130.984-130.591 113.461-173.658 148.111 -49.221 139.270 -51.318 0.000 0.000 106.967 -8.600 132.983 70.599 115.583 174.411 127.653 -39.195 121.899-174.720 125.046-135.052 126.613 -97.846 157.416-157.432 97.456 -32.085 149.140 -28.832 133.553 -19.334 0.000 0.000 124.360 173.732 162.005-129.488 95.914 66.951 125.486 -97.810 95.321 105.315 141.653 -74.939 123.866 173.413 144.336 -93.764 137.551 -79.608 0.000 0.000 113.009 0.000 137.454 -41.445 # 42 total E -7.41324E+00 rmsd from N 0.000 %NC 0.00 93.110 134.346 107.683 30.768 115.289 62.413 0.000 0.000 128.812 5.064 162.842 21.620 96.568 153.506 131.262-158.610 135.888 179.924 148.986-104.232 128.964 179.120 148.167-128.758 120.408 17.124 112.237 -83.676 124.779-172.992 0.000 0.000 125.326 179.263 131.215 -84.216 125.852 4.808 150.888 4.702 96.955-175.600 142.257 -74.415 125.336-112.444 152.201 -16.431 95.371 68.088 148.933 -29.406 97.201 70.192 0.000 0.000 130.655 169.245 164.791-139.088 95.099 67.662 141.823 -74.566 97.137 106.103 132.106 -97.725 127.119 174.533 148.601 -89.537 126.673-175.614 0.000 0.000 120.320 0.000 131.439-163.956 # 43 total E -7.34663E+00 rmsd from N 0.000 %NC 0.00 123.720 -99.790 144.734-153.385 131.786 -12.115 0.000 0.000 127.822 175.639 153.739 172.509 129.095-171.328 154.822 -70.140 125.713-103.495 133.466 -71.829 116.037-106.026 142.505 159.044 95.974 45.950 149.479 -31.561 95.919 71.291 0.000 0.000 94.300 57.237 134.664 -97.644 123.893 156.736 102.078 -87.135 97.556 11.914 162.168 -68.809 112.626-174.006 147.389-153.204 119.773 -52.242 156.992-160.804 124.108 -93.139 0.000 0.000 125.449 179.926 150.265 -93.802 134.946-179.159 142.455 -87.182 130.566 178.147 141.698 -89.935 129.907 177.122 147.670-150.294 137.798 -86.723 0.000 0.000 117.438 0.000 134.537-162.274 # 44 total E -7.03806E+00 rmsd from N 0.000 %NC 0.00 122.694-120.919 144.653-152.543 131.271 179.995 0.000 0.000 128.747-168.661 102.337 -51.511 128.697-168.267 123.856 -82.188 126.604-104.993 137.744 -90.925 128.062-111.226 151.239-167.282 117.638 -46.753 151.423-155.891 123.926-170.632 0.000 0.000 118.795 63.259 127.445 -66.967 130.179 177.914 154.317 157.227 131.703 -7.082 168.620 -55.457 98.312 -2.284 149.372 -35.039 122.196 -86.864 110.092 -97.956 115.886 -19.922 0.000 0.000 94.707 89.531 138.890-133.040 96.259 60.888 135.180-110.937 130.831 171.089 131.430 -90.826 125.142 14.295 146.194-161.284 130.328-158.805 0.000 0.000 118.922 0.000 142.793 177.528 # 45 total E -6.86923E+00 rmsd from N 0.000 %NC 0.00 93.020 115.900 141.366-134.255 131.519 179.680 0.000 0.000 127.782-175.220 100.766 -50.567 117.244 64.492 120.337 -79.735 129.242 174.116 166.989 -32.566 91.998 53.772 120.559-111.576 109.956-170.517 106.172 -80.088 130.203 -12.169 0.000 0.000 97.329 163.422 132.428 -83.033 137.285 175.662 149.666 172.616 123.902 178.624 166.670 -54.228 127.112 174.603 152.071-164.357 122.955 174.128 152.663 -22.349 139.605 -11.463 0.000 0.000 121.787 -4.800 149.315 -92.708 126.124-179.219 140.143 -90.224 132.397-179.985 142.751 -90.849 129.131 177.877 148.140-149.682 137.889 -86.916 0.000 0.000 117.303 0.000 134.650-162.016 # 46 total E -6.64639E+00 rmsd from N 0.000 %NC 0.00 122.404-132.961 123.743 -33.601 125.607 -11.197 0.000 0.000 142.928-174.477 152.012 12.246 106.760 -84.101 131.175-152.909 99.774 151.094 143.871 -70.599 93.655 -13.719 113.213-112.762 100.531 -62.954 105.201 -80.051 131.483-169.313 0.000 0.000 120.621 -2.854 121.168 -63.933 128.730-169.713 105.614 -87.087 130.313-114.810 131.244 -73.277 117.517-178.377 148.074-160.749 134.572-179.705 114.687 -84.472 118.924 -8.576 0.000 0.000 118.126 176.153 148.735 -94.504 127.492-173.222 168.633 -63.826 97.013 -1.039 134.070 -96.635 117.782 -77.546 150.467-141.632 137.028 -81.186 0.000 0.000 115.922 0.000 139.482-138.847 # 47 total E -6.55567E+00 rmsd from N 0.000 %NC 0.00 116.486 173.755 121.998 -17.807 112.661 171.696 0.000 0.000 132.192-170.002 102.918 -49.523 112.707 166.296 148.116 -96.837 96.096 -1.340 142.716 -73.815 102.135-156.140 124.791-122.839 97.134 66.375 154.261 -29.211 118.641 -16.031 0.000 0.000 111.879 56.924 129.790 -71.542 96.089 63.550 117.763 -38.347 120.609 -0.993 161.405-129.341 118.693 72.359 111.514 -84.851 119.105-179.806 154.700-152.526 116.052 -13.245 0.000 0.000 108.842 163.411 147.457-101.160 116.574 4.781 138.147-101.508 114.954-174.276 134.896 -93.438 126.714 15.861 145.936-144.059 128.815-159.029 0.000 0.000 119.536 0.000 138.086-178.583 # 48 total E -6.46331E+00 rmsd from N 0.000 %NC 0.00 93.035 57.694 142.124-133.512 126.656 -9.675 0.000 0.000 123.820 105.766 140.209 119.348 130.264-176.107 125.641 -85.293 120.561-179.092 168.152 -98.574 94.477 11.302 135.257-132.993 118.795 -62.522 152.513-155.050 144.107 111.882 0.000 0.000 112.071 -90.330 102.877 -52.451 108.377 165.445 143.089-121.933 95.616 80.613 140.367 -74.807 95.570 97.961 137.124-164.723 114.246 167.446 144.319-144.795 133.551 175.248 0.000 0.000 130.237-114.782 151.765 -98.225 126.978-174.855 166.504 -54.912 98.687 -2.474 163.624 -87.659 116.924 -72.823 150.475-145.403 136.133 -68.831 0.000 0.000 116.259 0.000 134.000-148.502 # 49 total E -6.38589E+00 rmsd from N 0.000 %NC 0.00 92.958 132.024 120.095 71.021 139.841 1.139 0.000 0.000 130.665 -5.570 107.624 -62.200 94.588 175.317 118.974 -76.742 134.134-101.072 131.819-133.099 129.032-111.093 147.408-112.686 123.497 -68.508 155.563 -4.417 105.921 -23.754 0.000 0.000 93.827 109.063 131.309 -78.178 127.021 118.636 132.070-139.999 130.015-178.288 139.955 -82.630 119.522-106.706 151.393 -21.287 95.950 16.717 144.078-137.196 127.594-175.216 0.000 0.000 126.521-177.182 150.050 -90.355 133.993-178.355 142.020 -87.309 130.661 179.277 141.744 -89.946 129.982 177.722 147.714-150.545 137.834 -86.714 0.000 0.000 117.332 0.000 134.565-162.305 # 50 total E -6.37382E+00 rmsd from N 0.000 %NC 0.00 93.015 115.138 140.696-134.584 135.518 -12.414 0.000 0.000 129.601-171.247 103.270 -51.144 128.737-171.592 123.876 -81.823 129.071-170.274 139.688 -92.762 126.314-105.022 146.268-136.086 96.184 16.711 110.307 -82.148 126.415-176.414 0.000 0.000 124.955-178.931 111.726 -48.390 131.996 174.642 155.298 172.139 111.750 7.255 141.351 -92.571 111.342-172.240 151.511 -24.493 119.486 -56.605 147.237-156.037 123.660 -88.745 0.000 0.000 121.902-176.658 140.302 -69.391 119.886 0.860 137.144 -91.560 98.939 165.631 131.562 -98.362 131.004 176.072 140.455 148.390 138.165 -86.088 0.000 0.000 117.257 0.000 134.504-161.150 # 51 total E -6.36994E+00 rmsd from N 0.000 %NC 0.00 123.770 -97.890 144.718-153.533 130.109 -14.175 0.000 0.000 124.041 172.865 152.122 173.767 93.807 5.586 118.082 -76.407 114.827-176.640 170.096 -73.802 94.299 2.595 128.339-123.941 117.138 -65.346 151.720-153.793 128.834-167.661 0.000 0.000 128.453-177.463 159.777-122.766 125.227 0.936 144.947 -10.863 122.812-166.710 141.429 -97.019 123.706-101.777 152.520 -14.371 95.928 25.273 143.916-135.957 98.625 80.493 0.000 0.000 131.489 166.777 123.795 -58.748 101.014 -1.051 128.394 -88.953 99.862-168.214 140.863 -74.995 121.103 21.647 153.416 -35.192 128.537-161.059 0.000 0.000 119.847 0.000 137.120-178.426 # 52 total E -6.33612E+00 rmsd from N 0.000 %NC 0.00 117.896-175.839 121.395 -18.441 117.414 -14.789 0.000 0.000 125.202 -9.705 105.497-102.149 119.287-177.192 120.204 -81.786 125.242-175.734 168.943 -84.539 127.567-100.180 144.548-130.702 106.481 -51.305 147.741-146.306 124.008-178.057 0.000 0.000 125.264 176.708 167.711-124.494 136.021 108.642 111.405 -86.008 96.088 66.642 141.561 -73.695 119.139-112.762 149.796-161.395 95.939 2.029 149.059 -29.563 122.800-176.029 0.000 0.000 132.048-175.354 164.183 -90.103 135.219-174.981 135.897 -60.329 94.808 59.027 124.275 -86.589 122.512-177.301 150.335-127.565 117.442 167.675 0.000 0.000 120.437 0.000 132.685-167.677 # 53 total E -6.24790E+00 rmsd from N 0.000 %NC 0.00 113.743 160.885 144.503-145.729 136.176 -10.839 0.000 0.000 130.693-168.129 103.273 -51.711 127.752-170.298 122.476 -82.485 127.378 2.214 144.400 -90.422 100.281 159.058 132.363-133.710 125.303-179.652 145.996-168.616 98.080 57.728 0.000 0.000 96.569 0.706 122.269 51.880 120.379 91.071 146.737 136.639 125.753 153.294 165.706 -89.062 129.114 171.673 153.863-164.775 128.061-170.826 111.898 -82.050 117.033 -6.111 0.000 0.000 94.171 108.126 137.400 -72.656 96.035 59.474 128.210-100.808 115.558 158.339 136.123-103.628 130.422 177.156 145.798-162.742 137.974 -84.835 0.000 0.000 113.273 0.000 137.622 -41.567 # 54 total E -6.11456E+00 rmsd from N 0.000 %NC 0.00 113.898 162.244 137.003 -62.350 133.831 179.723 0.000 0.000 132.281-168.420 103.475 -53.514 119.169 -1.833 120.920 -79.536 113.410 -0.835 142.382 -86.516 118.590 179.031 144.054-146.571 137.952-114.550 111.621 -82.274 114.730 -18.487 0.000 0.000 120.613 166.733 111.082 -49.242 131.476-104.060 161.475 148.265 130.190 178.417 139.497 -91.353 119.279 105.896 148.721-157.276 121.468-179.560 151.899 -18.943 124.993 -10.171 0.000 0.000 120.575 173.027 148.888 -93.761 134.198-178.075 143.928 -94.017 131.137 177.372 142.023 -90.217 129.671 177.356 147.945-150.064 137.836 -86.839 0.000 0.000 117.324 0.000 134.538-162.455 # 55 total E -6.11374E+00 rmsd from N 0.000 %NC 0.00 113.007 17.218 145.195-148.005 129.863-172.832 0.000 0.000 127.761-178.989 99.708 -56.449 96.154 -2.440 117.409 -77.881 119.040-179.070 167.966 -37.675 110.955 159.373 144.568 154.915 133.740-166.875 147.858 179.126 111.200 -6.322 0.000 0.000 114.047 125.551 116.006 -51.459 127.871 110.409 105.988 -77.828 124.836-178.729 167.780 -64.263 127.838-114.432 154.126 -14.196 119.672 -42.575 151.938 -19.254 127.362-167.570 0.000 0.000 125.521-173.274 155.418-130.983 117.978 0.525 165.538 -66.393 115.276-176.930 165.501 -79.442 126.822 92.673 145.298-137.885 137.946 -86.454 0.000 0.000 117.340 0.000 134.600-161.877 # 56 total E -5.96868E+00 rmsd from N 0.000 %NC 0.00 123.225-123.807 122.616 -33.217 120.299 -9.934 0.000 0.000 127.592 176.132 153.343 159.105 129.391-173.029 151.749 -78.431 129.688-117.194 132.888 -73.470 120.534-178.349 145.428-175.754 127.282-179.778 149.195-177.719 137.394 -61.415 0.000 0.000 95.351 -4.905 131.105 -81.087 117.330-178.381 103.196 -76.210 96.410 54.204 132.262 -99.429 95.400 74.639 150.049 -31.893 120.913-171.945 151.831-169.414 114.452 -9.446 0.000 0.000 106.608 172.824 114.363 80.977 131.131-107.008 136.154-110.743 130.666-166.275 142.428 -90.189 125.557 18.549 148.570-154.406 136.100 -82.377 0.000 0.000 113.186 0.000 137.395 -41.698 # 57 total E -5.89427E+00 rmsd from N 0.000 %NC 0.00 106.507 18.872 116.925 141.805 145.592 72.817 0.000 0.000 125.972-109.099 146.546 168.347 131.294-110.850 125.265 -83.676 124.064-171.327 170.127 -92.728 94.386 4.453 135.365-138.816 118.938 -67.447 152.026 -19.044 130.986-171.803 0.000 0.000 132.401-107.894 117.233 -52.560 126.295-165.366 156.988 177.506 136.773-118.834 146.090 -66.689 96.476 8.055 139.967-130.882 111.563-109.265 145.006-133.293 94.550 43.645 0.000 0.000 94.760 68.043 139.626-107.841 145.937 176.377 155.568 -77.035 96.451 3.010 129.073 -92.444 118.185 -69.166 139.447-130.591 139.326 -78.421 0.000 0.000 117.486 0.000 129.592-158.619 # 58 total E -5.84998E+00 rmsd from N 0.000 %NC 0.00 113.390 159.141 143.609-144.732 133.417 179.832 0.000 0.000 123.195-171.367 123.871 -57.117 97.873 -0.700 119.037 -79.184 109.860 121.957 168.177 -18.510 116.707 -8.483 146.283-170.868 110.848 27.611 141.863-138.256 129.869-177.246 0.000 0.000 131.934-166.631 145.305 -43.419 132.939-129.515 96.665 -81.856 119.023 -0.874 140.610 -94.280 96.301 126.359 141.314-139.108 122.973 173.929 150.192-170.450 134.313 -9.487 0.000 0.000 128.870-179.364 151.885 -98.425 133.878-169.400 147.517 -83.280 98.285 -1.206 163.038 -91.616 113.660 -78.625 150.897-143.100 135.482 -93.514 0.000 0.000 113.808 0.000 138.882 -45.097 # 59 total E -5.46060E+00 rmsd from N 0.000 %NC 0.00 115.033 164.769 123.316 -7.101 118.477 65.313 0.000 0.000 126.902 6.018 150.670 163.718 94.955 175.513 139.742 -32.463 140.569-170.085 150.438-114.205 114.847 8.186 148.545-142.746 97.233 62.667 149.218 -27.856 96.393 88.491 0.000 0.000 129.698 -5.551 147.319 -71.107 131.790 177.471 125.599 138.434 125.720 -89.771 129.369 -88.370 93.259 2.030 141.929-138.199 111.820 67.254 149.783-148.583 121.814-171.769 0.000 0.000 139.319-167.145 166.881-176.571 110.735 4.944 120.670 -81.186 118.549-178.949 132.460-113.000 127.931-179.641 145.930-133.769 138.164 -86.794 0.000 0.000 117.307 0.000 134.411-162.492 # 60 total E -5.39539E+00 rmsd from N 0.000 %NC 0.00 93.013 115.002 140.659-134.620 135.160 -12.717 0.000 0.000 128.465-167.950 103.048 -49.951 124.530-175.787 124.669 -83.738 133.651-177.616 133.424 -72.167 116.540 177.631 139.181 21.136 117.454 -65.640 139.600-149.392 112.039 -17.641 0.000 0.000 120.193 175.482 141.308 -61.935 124.306 178.038 138.682-132.192 122.650 3.068 139.749 -82.060 97.085-179.644 110.549 -84.639 114.925 15.862 138.939-138.602 120.407-176.737 0.000 0.000 114.547 -0.100 146.668 -86.533 120.516-176.056 165.664 -58.418 123.830-178.448 167.327 -68.106 125.265 95.477 148.398-159.615 138.037 -86.342 0.000 0.000 117.315 0.000 134.584-161.994 # 61 total E -5.02527E+00 rmsd from N 0.000 %NC 0.00 113.899 154.113 123.014 -38.924 135.211-103.529 0.000 0.000 126.482-117.932 143.722 161.208 129.969-171.207 155.952 -77.770 115.681 1.184 167.788 -88.750 94.124 173.233 131.074-136.008 123.787 21.180 115.131 -89.807 123.037-175.017 0.000 0.000 126.823 179.719 136.697 -76.221 131.375 160.072 151.209 4.697 97.720 60.615 136.379-102.238 123.967 161.136 111.798 -84.843 129.929 177.040 114.051 -85.181 135.510 -9.224 0.000 0.000 127.574-115.933 150.936 -95.180 129.389-175.467 139.773 -89.512 120.407 72.981 136.943 -91.506 124.619-178.169 149.989-155.436 137.427 -82.074 0.000 0.000 113.251 0.000 137.580 -41.850 # 62 total E -5.00391E+00 rmsd from N 0.000 %NC 0.00 114.862 160.250 122.097 -20.575 115.495 167.395 0.000 0.000 118.451 3.287 101.698 -66.726 96.037 176.744 117.462 -77.847 128.567-178.149 168.611 -89.755 115.032 179.350 148.305-151.265 117.556 17.244 140.588-165.267 125.030-174.673 0.000 0.000 128.529-110.391 156.736 -61.403 135.071-101.924 146.355 -3.593 123.356-114.716 127.395 -84.256 98.397 35.404 143.041-143.114 96.009 71.812 150.626 -14.938 94.170 69.259 0.000 0.000 92.947 61.856 138.314-123.140 95.762 121.658 120.374 -96.262 129.239-109.641 135.390-111.344 128.502 -57.648 151.323-148.481 134.864 -78.619 0.000 0.000 113.092 0.000 137.608 -41.715 # 63 total E -4.93696E+00 rmsd from N 0.000 %NC 0.00 123.773 -97.294 144.727-153.472 129.162 -15.645 0.000 0.000 122.869 171.520 150.068 176.454 94.434 5.453 139.779 -61.838 117.572-171.860 149.050 -81.837 132.865-179.289 142.796-121.240 122.790 175.616 152.196 -22.797 139.017 -13.656 0.000 0.000 123.135 -4.601 142.066 -54.121 120.487 173.239 139.198-131.741 123.082 61.643 137.820 -80.254 122.956 169.761 112.264 -85.145 119.206 17.190 152.098 -19.268 125.604-173.405 0.000 0.000 126.137-168.576 150.474 -91.642 128.170-106.531 138.679 -90.182 122.864-106.612 166.933 -63.456 119.292 9.831 150.393-149.313 125.274-162.677 0.000 0.000 120.427 0.000 132.249 172.438 # 64 total E -4.57693E+00 rmsd from N 0.000 %NC 0.00 122.122-128.524 139.512 -84.791 126.213 179.463 0.000 0.000 127.465 176.123 149.970 169.304 127.389 104.420 154.289 -53.163 123.445-179.639 168.447 -70.386 129.509-111.434 150.139-137.125 120.321 -56.860 152.144 -18.731 127.928 -90.466 0.000 0.000 121.801 178.522 116.695 -52.741 121.853 4.314 104.740 -75.126 122.364 176.100 134.809 -95.821 124.955 107.557 111.880 -84.466 122.643-179.040 151.937 -15.926 124.510 -10.435 0.000 0.000 120.146 174.888 148.819 -93.773 135.449-171.284 146.964 -85.977 96.315 7.526 133.826 -96.775 116.616-108.768 146.431-102.243 122.415-175.674 0.000 0.000 120.538 0.000 132.386 172.066 # 65 total E -4.56556E+00 rmsd from N 0.000 %NC 0.00 123.654-101.143 144.202-148.677 129.360 -10.393 0.000 0.000 141.332 174.700 154.057 -1.122 119.629-175.384 122.825 -82.288 118.262 1.193 168.068 -96.379 93.927 167.788 130.908-136.251 134.500 168.247 115.298 -90.162 131.984 173.548 0.000 0.000 123.853 1.786 142.607 -56.806 121.201-176.293 140.358-137.153 136.205-172.491 134.249 -55.916 94.748 64.343 142.428-139.232 119.234-177.842 109.120 -83.147 135.610-179.967 0.000 0.000 128.341-111.474 151.055 -93.701 128.304-107.761 139.805 -91.937 129.010-119.879 121.806 -65.215 94.514 29.983 130.503-101.493 131.569-162.722 0.000 0.000 120.284 0.000 132.117-170.948 # 66 total E -4.54454E+00 rmsd from N 0.000 %NC 0.00 121.750-132.799 139.125 -85.664 123.476 178.198 0.000 0.000 122.212 4.154 151.102-179.588 95.670 170.744 116.665 -74.971 114.898 70.251 131.737-124.112 93.009 98.875 131.195-126.798 119.055 174.781 149.283 -41.007 130.233 -14.434 0.000 0.000 108.296 172.674 110.795 -51.985 140.496 176.141 144.696 161.934 124.618 107.912 139.501 -84.554 118.044 106.829 149.221-157.241 120.317 178.146 151.796-155.484 137.917 -13.080 0.000 0.000 128.843-118.337 151.068 -92.924 126.230-105.505 167.701 -68.366 130.767-165.381 140.977 -90.121 130.246 -56.324 149.096-147.068 126.913 98.199 0.000 0.000 118.720 0.000 132.825-156.131 # 67 total E -4.52815E+00 rmsd from N 0.000 %NC 0.00 114.170 157.586 125.783 -30.650 119.444 176.186 0.000 0.000 140.243-138.310 102.488 -89.881 94.873 6.062 115.771 -77.086 111.679 120.986 146.026 -98.663 134.170-104.750 149.158 162.857 110.412-177.994 109.261 -83.342 159.140-173.029 0.000 0.000 110.928 178.798 106.515 -46.073 133.949 176.394 154.250 173.114 130.959-178.314 144.350 -84.114 126.535 -5.040 112.776 -85.122 122.735 48.686 153.309-156.823 135.273 -17.072 0.000 0.000 126.189 169.986 152.804-120.408 116.922 2.716 138.607 -93.307 116.884-173.005 165.659 -77.328 127.457 18.095 146.868-141.506 135.733 -81.952 0.000 0.000 113.180 0.000 137.585 -42.201 # 68 total E -4.43410E+00 rmsd from N 0.000 %NC 0.00 93.112 112.825 140.562 91.794 96.455 101.550 0.000 0.000 119.018 10.189 97.501 -69.863 96.790 174.990 117.141 -77.651 127.000-109.841 167.089-113.116 135.250 174.930 123.803 -54.867 124.387 171.907 113.999 -81.196 121.938 -16.072 0.000 0.000 95.433 157.514 133.092 -82.332 134.376 105.548 149.056-179.650 97.974 101.935 160.966 -78.427 118.225 105.510 147.173-154.259 126.139 174.370 153.527 -16.075 135.381 177.074 0.000 0.000 128.472-174.822 151.160 -92.352 135.517-171.950 147.578 -80.740 96.792 0.564 134.175 -96.646 116.472 -73.621 150.491-141.496 137.389 -79.166 0.000 0.000 117.271 0.000 131.411-156.532 # 69 total E -4.40435E+00 rmsd from N 0.000 %NC 0.00 122.646-120.986 144.527-152.021 131.722-179.598 0.000 0.000 141.931-168.561 151.482 16.860 113.672 -93.147 119.454 -80.079 126.312-131.305 120.016 -64.902 92.467 60.387 128.580-123.380 109.466-174.996 144.373-138.126 129.659 -10.487 0.000 0.000 114.763-179.830 107.820 -47.401 133.880-104.738 151.615 172.116 131.044-170.164 142.341 -92.553 126.213 176.090 152.161-162.281 122.994 174.243 152.687 -20.993 138.617 -10.155 0.000 0.000 121.877 -4.414 149.304 -92.613 127.139-177.975 140.318 -89.570 130.316-175.999 142.344 -92.228 125.907 102.009 148.109-151.306 137.982 -86.697 0.000 0.000 117.324 0.000 134.548-162.147 # 70 total E -4.30880E+00 rmsd from N 0.000 %NC 0.00 119.939-148.239 137.771 -84.308 123.576 -1.446 0.000 0.000 97.026 78.332 176.423-170.918 92.952 64.691 117.690 -80.771 123.871 -14.272 112.476-108.239 123.652 -4.452 145.297-152.203 120.464-166.539 153.168 -17.625 139.747 -17.523 0.000 0.000 123.011 174.724 134.919-112.024 134.085-175.739 152.460 172.181 124.386-100.869 167.415 -56.081 121.491-115.795 150.605-158.836 121.175-177.086 153.337-157.560 126.790 -10.196 0.000 0.000 122.026 173.324 158.668 -87.386 97.264 63.083 162.179 -73.708 95.111 111.202 141.581 -74.396 94.533 69.931 111.347-106.248 126.207 178.284 0.000 0.000 120.336 0.000 134.066 164.568 # 71 total E -4.29088E+00 rmsd from N 0.000 %NC 0.00 112.990 15.440 133.811 -27.999 115.241 -10.130 0.000 0.000 93.886 116.018 118.774-140.668 92.121 15.961 115.046 -77.993 118.835-175.307 166.638 -22.442 119.077 178.597 148.122-171.967 125.084 178.483 144.574-170.190 138.452 -63.725 0.000 0.000 116.139 0.267 136.775 -55.744 118.247-174.422 139.882-134.814 125.165-102.219 166.187 -62.237 121.362-107.267 150.907-159.050 121.286 -58.926 111.855 -82.903 128.630 -93.895 0.000 0.000 126.088-177.771 150.521 -94.084 132.969-175.292 141.269 -88.592 119.401 11.108 137.911 -90.982 126.150-168.536 153.184-107.277 125.514 178.459 0.000 0.000 120.319 0.000 132.248-163.947 # 72 total E -4.25158E+00 rmsd from N 0.000 %NC 0.00 122.216 -63.065 132.621 -14.489 138.156 -93.766 0.000 0.000 117.738 -0.442 154.093 179.279 98.138 179.380 117.018 -76.156 133.926-106.480 137.527-123.021 130.123-174.504 151.341-127.371 118.554 13.371 152.082 -19.631 123.730-172.596 0.000 0.000 127.202 177.962 121.189 -50.928 129.671 49.120 104.022 -76.963 135.038-179.516 145.750 -92.942 121.131 179.346 148.268-149.638 116.322 17.100 148.121-153.847 125.003-174.419 0.000 0.000 127.829-111.890 150.549 -91.775 128.014-104.428 139.365 -90.701 128.213-117.286 140.353 -90.964 130.044 179.704 149.806-156.241 137.804 -86.512 0.000 0.000 117.334 0.000 134.549-162.059 # 73 total E -4.04302E+00 rmsd from N 0.000 %NC 0.00 93.029 117.458 142.089-134.506 130.253 176.995 0.000 0.000 121.739 18.676 106.028 -60.173 95.015 169.098 118.175 -76.933 133.007-171.134 135.883-127.600 126.117 -99.952 148.073-103.516 96.083 -18.871 146.523 -31.983 131.223-117.645 0.000 0.000 93.798 5.812 124.495 -56.900 114.568 165.838 160.115 6.636 128.378 103.415 145.131-109.584 116.967 109.950 148.205-154.581 120.974 178.683 151.259-156.776 135.301 -10.887 0.000 0.000 127.632-115.848 150.906 -94.425 129.794-175.975 140.273 -89.841 126.406 104.204 139.393 -90.781 128.172-178.640 154.892-100.323 126.670-178.954 0.000 0.000 120.319 0.000 131.568-162.442 # 74 total E -3.95158E+00 rmsd from N 0.000 %NC 0.00 123.979-111.485 123.250 -33.122 111.464 -8.353 0.000 0.000 115.330 98.035 148.653 149.163 115.794 104.677 144.833 -46.491 126.348 112.646 141.570 -96.001 130.708 173.134 145.897-146.877 122.695 179.821 152.009-160.036 131.551 -7.340 0.000 0.000 128.006 176.427 136.379 -77.380 135.121 174.620 147.578 7.246 96.794 61.524 134.376-102.340 118.667 161.841 148.632 -26.919 121.004 177.258 146.896-154.852 139.134 -10.675 0.000 0.000 128.926-120.392 151.116 -94.034 128.350-108.544 139.443 -90.596 127.327-108.705 138.771 -86.692 120.004 12.198 149.763-154.443 129.850 108.043 0.000 0.000 118.331 0.000 135.681-143.673 # 75 total E -3.94644E+00 rmsd from N 0.000 %NC 0.00 93.006 111.185 140.248-133.414 130.825 -13.783 0.000 0.000 135.044 174.043 143.727 44.279 95.121 22.167 128.240-160.963 119.009-161.854 133.000 -49.975 125.467-171.811 141.678-146.737 122.405 174.952 140.884-148.541 148.507 -15.970 0.000 0.000 96.246 -5.978 130.765 -77.438 127.076-173.825 110.452 -81.107 127.177-102.574 164.985 -58.482 111.799 65.881 151.629 -24.320 117.487-178.952 112.167 -83.354 138.329 -12.624 0.000 0.000 114.611 -6.331 147.728 -92.317 116.649 173.267 138.295 -93.694 126.113 105.696 139.600 -99.735 127.320 179.989 150.138-150.167 137.711 -86.256 0.000 0.000 117.297 0.000 134.428-162.591 # 76 total E -3.92579E+00 rmsd from N 0.000 %NC 0.00 116.688 157.301 149.007 82.031 126.860 177.744 0.000 0.000 127.950-110.351 145.465 170.417 132.284-169.286 126.479 -83.813 124.430-174.172 171.194 -76.427 119.659 -4.047 149.711-149.808 113.087 40.564 111.146 -82.787 118.568-176.068 0.000 0.000 134.321-106.120 165.542-124.789 131.189 179.735 136.829-137.425 96.076 10.930 134.448 -88.570 112.898-174.693 111.311 -84.738 122.197 -54.450 154.027 -19.179 124.695 -92.449 0.000 0.000 125.511-179.605 150.390 -93.927 127.338-178.816 167.114 -68.012 128.918-177.889 142.335 -91.247 125.143 95.138 147.558-156.856 137.892 -84.227 0.000 0.000 113.369 0.000 137.845 -41.653 # 77 total E -3.87077E+00 rmsd from N 0.000 %NC 0.00 113.667 13.936 128.393 -26.867 124.088 -9.474 0.000 0.000 125.868 96.204 156.829 148.189 130.020 173.655 125.684 -81.148 122.765-175.633 170.140 -88.609 94.263 5.100 134.585-136.620 118.893 -66.135 152.068 -19.049 130.005-169.405 0.000 0.000 130.629 179.623 122.949 -58.168 126.788 110.147 107.449 -70.566 96.290 103.015 141.599 -74.868 111.500 -10.068 151.601 -23.461 98.698 -63.523 144.382-140.033 126.522-170.609 0.000 0.000 117.060 3.632 150.776-173.099 97.684 162.814 132.778 -95.520 129.313 103.171 143.191-102.489 128.006 179.613 149.992-151.440 137.571 -83.715 0.000 0.000 113.200 0.000 137.640 -41.674 # 78 total E -3.62082E+00 rmsd from N 0.000 %NC 0.00 123.696-107.122 137.561 -53.157 142.646 -6.503 0.000 0.000 122.621 -7.758 149.309 173.937 98.220-179.941 136.813 -54.506 134.775 -97.994 137.874-126.100 130.293-115.758 148.045-125.714 122.123-174.890 155.471-165.120 126.696 -9.196 0.000 0.000 114.361 173.172 107.773 -47.312 125.360 0.731 156.991 175.846 125.937-158.053 145.360 -88.986 97.286 4.719 110.559 -83.566 116.061 -75.438 150.660-151.049 97.942 168.178 0.000 0.000 94.133 99.381 138.919 -95.851 134.304 168.786 135.880-107.410 127.943 108.443 138.269 -89.528 128.349 179.488 150.097-152.505 137.666 -86.609 0.000 0.000 117.308 0.000 134.472-162.290 # 79 total E -3.34340E+00 rmsd from N 0.000 %NC 0.00 112.431 18.850 137.559 -38.793 131.634-175.169 0.000 0.000 117.340 0.489 158.774 177.714 96.160-176.664 116.780 -77.013 127.002-175.917 170.323 -96.185 117.167 -2.582 149.713-148.793 115.723 52.670 150.933-151.829 126.620 178.623 0.000 0.000 119.660 -0.274 133.962 49.020 135.434-165.374 147.444 4.937 118.222 -89.745 138.720 -96.243 121.829-108.545 111.259 -84.178 118.031 -56.504 145.451-157.957 129.450 -97.186 0.000 0.000 125.836-177.494 150.450 -94.099 127.177-177.589 166.503 -55.366 97.105 -1.898 134.145 -96.708 118.615 -73.355 150.363-141.964 136.278 -72.509 0.000 0.000 116.508 0.000 133.950-150.292 # 80 total E -3.31900E+00 rmsd from N 0.000 %NC 0.00 113.043 17.418 145.426-148.058 130.459-173.405 0.000 0.000 142.157-170.805 152.045 12.360 114.223 -94.366 143.925 -79.066 125.868-109.619 121.492 -70.800 121.390-179.022 144.573-142.943 126.190 176.848 152.073-173.026 131.415 -11.762 0.000 0.000 117.550 -8.006 137.736 49.923 125.900 168.362 154.806 159.780 126.066 62.402 144.097 -86.553 120.812 170.116 153.836 -16.779 119.455 18.043 111.851 -83.212 124.705-174.506 0.000 0.000 128.725-111.079 148.568 -85.165 133.666-166.045 140.208 -79.905 124.848-167.955 140.180 -88.530 122.527 83.430 144.932-176.265 96.932 139.523 0.000 0.000 120.029 0.000 125.104-143.786 # 81 total E -3.20279E+00 rmsd from N 0.000 %NC 0.00 92.994 71.957 138.571-129.945 127.690-179.739 0.000 0.000 127.861-171.292 150.422 174.559 128.792-107.140 154.586 -57.053 129.331-171.496 137.833 -63.216 92.826 62.473 126.545-139.500 117.936-176.242 108.332 -83.477 131.247 176.355 0.000 0.000 112.834 1.584 124.937 -57.111 128.143 178.545 151.446 -0.518 133.624-177.602 147.125 -86.113 124.951 179.032 154.413 -15.383 116.331 17.811 148.670-153.714 124.338-174.081 0.000 0.000 127.089-174.942 148.074 -84.933 132.223-176.302 141.025 -88.118 119.156 13.769 137.746 -90.026 124.919-170.412 149.273-146.500 136.967 -82.610 0.000 0.000 113.165 0.000 137.520 -41.737 # 82 total E -3.16494E+00 rmsd from N 0.000 %NC 0.00 113.264 12.220 144.086-146.647 132.436 -82.413 0.000 0.000 126.566 178.981 153.848 168.807 132.985-179.263 127.698 -83.582 134.977-176.072 145.761 -72.597 92.364 60.202 127.066-138.195 112.043-173.830 105.056 -83.199 137.620 -53.052 0.000 0.000 128.247-118.180 139.165 51.402 134.815-108.424 96.367 -85.948 131.648-169.529 144.835 -82.965 124.678 176.159 153.893 -16.745 121.602 175.688 149.752-157.447 135.605 -9.644 0.000 0.000 127.571-115.461 150.902 -94.466 130.006-174.670 141.699 -89.672 121.540 103.472 166.103 -68.965 127.376 179.299 149.696-146.637 137.609 -83.587 0.000 0.000 113.236 0.000 137.566 -41.633 # 83 total E -3.15384E+00 rmsd from N 0.000 %NC 0.00 93.010 113.346 140.385-134.463 134.397 -11.213 0.000 0.000 127.646 177.292 154.788 171.695 129.395-176.121 158.075 -75.106 112.272 0.652 168.215 -88.232 101.176-178.395 133.931-139.300 120.831 13.714 155.623 -20.936 115.799-174.880 0.000 0.000 93.742 100.117 131.581 -78.383 96.184 96.797 113.544-134.891 123.871 104.274 137.162 -97.051 127.620 171.434 154.204 -14.606 123.553 177.953 152.578 -17.179 136.191 -10.689 0.000 0.000 128.118-115.758 150.937 -94.007 131.178-169.054 139.850 -86.260 128.659-172.002 141.421 -90.411 125.983 18.947 147.344-155.805 136.028 -82.884 0.000 0.000 113.198 0.000 137.569 -42.170 # 84 total E -3.01653E+00 rmsd from N 0.000 %NC 0.00 123.728 -82.155 145.976-156.709 142.577 68.322 0.000 0.000 140.983-112.200 153.059 16.137 125.635-122.997 120.709 -83.358 118.614 4.084 147.434 -91.705 93.785 163.997 129.891-133.174 123.934 24.452 112.514 -90.155 123.316-175.639 0.000 0.000 123.059-175.580 110.589 47.268 130.177 161.008 154.593-178.572 95.468 59.130 142.518 -74.421 123.305 159.350 110.348 -85.532 125.142 176.084 153.880 -14.821 135.275 -8.662 0.000 0.000 127.323-114.850 150.719 -94.955 131.990-172.762 136.495 -76.005 95.646 59.439 134.334-102.342 101.162-174.546 129.419-108.667 138.883 -74.402 0.000 0.000 117.692 0.000 129.523-167.675 # 85 total E -2.66299E+00 rmsd from N 0.000 %NC 0.00 114.604 13.477 119.479 -31.780 138.452-172.770 0.000 0.000 115.586 2.043 159.962 179.447 96.611 177.485 116.813 -77.212 125.861-173.959 168.892 -91.179 129.269-112.401 150.779-135.238 118.399 -52.475 151.818-157.028 131.192-116.627 0.000 0.000 123.769 8.048 144.859 -48.231 126.878-179.570 153.633-164.538 124.371-179.345 166.270 -54.592 127.604 179.339 152.329-164.878 124.610 -58.005 112.293 -83.258 123.949 -86.806 0.000 0.000 119.955-178.040 154.817-133.095 117.264 1.523 165.402 -74.544 111.871-176.288 135.756 -95.516 126.799 90.044 143.419-138.553 97.611 81.854 0.000 0.000 114.246 0.000 138.217 -44.940 # 86 total E -2.65356E+00 rmsd from N 0.000 %NC 0.00 120.385 -45.259 144.732-153.192 126.182 98.297 0.000 0.000 124.262 19.462 106.319 -60.579 95.252 164.598 118.268 -76.935 133.464-173.446 134.878-125.505 126.676-107.116 148.060-105.893 95.954 17.740 110.207 -82.108 124.234-177.771 0.000 0.000 109.883 1.417 123.712 -56.778 129.444 178.268 150.416 -1.740 129.974-179.620 146.459 -90.970 126.470-179.752 152.713-164.868 119.977 -55.680 150.726-156.181 123.641 -90.216 0.000 0.000 125.724-179.362 150.486 -94.414 134.341 177.220 142.296 -89.033 126.357 106.190 138.887 -90.164 128.243 179.433 150.038-151.216 137.666 -86.384 0.000 0.000 117.347 0.000 134.501-162.681 # 87 total E -2.63755E+00 rmsd from N 0.000 %NC 0.00 113.766 13.529 128.388 -27.391 123.817 -9.964 0.000 0.000 127.410 97.110 156.866 148.513 130.250 170.782 124.796 -82.253 118.964 1.264 168.578 -87.689 111.857-176.260 143.583-157.945 121.349 -54.624 144.627-163.919 123.864 -92.047 0.000 0.000 125.780-175.386 120.329 52.451 135.877-176.215 106.386 -76.238 115.303 94.591 132.181 -93.120 113.236 113.570 146.887-154.694 120.207 176.788 148.880-148.634 137.637 -11.986 0.000 0.000 128.612-116.127 151.218 -94.298 129.914-108.437 139.121 -89.195 130.110-175.107 142.073 -90.452 129.235 178.126 148.878-155.417 137.834 -84.032 0.000 0.000 113.236 0.000 137.590 -41.559 # 88 total E -2.60199E+00 rmsd from N 0.000 %NC 0.00 114.026 162.582 144.219-145.928 136.084 -11.731 0.000 0.000 129.808-170.911 102.534 -50.794 125.516-170.910 123.175 -81.970 129.475-113.994 128.746 -83.036 120.842-175.106 146.866 179.144 123.339 -57.691 144.338-177.631 124.475 -85.772 0.000 0.000 121.160 179.645 179.982 170.300 120.660 3.572 160.206 172.560 122.373-176.110 136.962 -90.527 125.665 179.844 154.653 -14.685 117.733 18.017 150.226-154.089 125.487-172.013 0.000 0.000 126.651-170.080 159.045 -99.445 94.996 64.333 141.862 -74.532 96.139 101.581 131.914 -97.413 123.745 174.520 147.392 -78.732 137.637 -82.315 0.000 0.000 117.324 0.000 134.576-167.496 # 89 total E -2.57356E+00 rmsd from N 0.000 %NC 0.00 124.118-110.696 121.581 -25.747 115.593-169.973 0.000 0.000 121.608-156.193 98.519 -49.938 128.973-167.393 152.546 -88.863 124.385-175.865 167.414 -64.625 110.337 -10.160 145.307-156.417 97.021 -60.014 149.023 -28.580 131.200-105.533 0.000 0.000 124.398 -4.717 133.885 -87.921 120.787 -1.552 107.366 -76.762 124.134 179.188 135.344 -95.668 126.242 173.622 151.599-162.772 124.256 176.864 152.739 -17.025 135.075 -8.926 0.000 0.000 127.879-116.007 150.978 -95.223 129.844-170.301 139.670 -87.605 118.685 13.586 137.885 -90.595 124.024-171.258 149.314-145.854 137.026 -82.203 0.000 0.000 113.169 0.000 137.528 -41.741 # 90 total E -2.52901E+00 rmsd from N 0.000 %NC 0.00 93.020 117.256 141.477-134.310 132.895 177.914 0.000 0.000 128.734-167.664 102.711 -51.670 130.307-166.325 125.773 -80.776 133.566 -11.660 129.375 -90.832 103.423 -9.226 129.596-121.980 108.051 -72.190 107.973 -83.682 96.087 63.375 0.000 0.000 136.881-103.981 137.012 -44.541 97.457 109.446 169.156 176.370 138.599-179.704 134.778 -61.707 95.395 61.184 149.902 -32.787 113.809-175.599 150.327-150.289 123.889 -13.532 0.000 0.000 118.488 169.476 157.915-158.234 97.236 14.546 131.768 -95.571 115.465-174.306 135.974 -95.509 128.004 17.709 141.001-130.429 135.565 -90.738 0.000 0.000 117.405 0.000 134.727-162.228 # 91 total E -2.24878E+00 rmsd from N 0.000 %NC 0.00 93.016 123.455 140.794-134.047 135.533 -83.814 0.000 0.000 123.902 175.938 151.606 174.760 124.415 108.396 152.823 -48.286 126.067 111.112 142.315 -90.994 128.470 176.233 145.524-148.566 116.013 13.262 150.719 -21.826 120.225-175.504 0.000 0.000 94.000 4.524 124.602 -56.919 115.633 171.665 159.708 5.927 137.055 177.490 150.550-108.275 129.099-179.198 153.887 -14.260 120.983 -54.734 152.266 -18.803 128.568-102.696 0.000 0.000 128.774-119.047 151.018 -93.748 126.385-172.412 166.805 -67.614 130.459 178.320 142.890 -90.977 129.735 177.347 148.109-155.137 137.757 -84.065 0.000 0.000 113.228 0.000 137.573 -41.697 # 92 total E -1.76035E+00 rmsd from N 0.000 %NC 0.00 123.807-104.567 137.706 -53.411 142.518 -7.928 0.000 0.000 122.426 -7.988 151.256 169.778 97.504 179.464 116.870 -76.083 136.479-102.564 138.382-122.063 131.421-175.929 147.125-126.263 120.977 13.338 112.071 -83.372 123.639-172.591 0.000 0.000 120.720 174.228 115.689 -54.282 132.293 55.475 149.349 155.327 125.201 179.182 165.181 -57.524 116.906 178.752 146.646-147.960 118.017 17.703 145.716-159.889 124.233-172.494 0.000 0.000 125.360-173.015 149.901 -92.722 132.358 -2.593 140.919 -87.420 125.714 -1.021 138.916 -91.966 126.449-171.429 153.305-106.026 125.568 179.009 0.000 0.000 120.309 0.000 132.072-163.353 # 93 total E -1.73172E+00 rmsd from N 0.000 %NC 0.00 122.219-128.392 139.354 -82.964 127.399 179.465 0.000 0.000 127.738-171.426 149.533 168.268 129.965-107.212 124.028 -80.776 129.615-168.918 146.634 -87.762 129.341-178.559 148.552-139.952 119.974 15.513 112.189 -83.648 125.361-173.320 0.000 0.000 123.911-171.843 111.161 -48.067 131.411-105.230 154.323 164.600 126.245-103.260 139.138 -93.730 120.753-116.100 149.952-160.436 124.162 178.653 154.374-160.945 133.196 176.485 0.000 0.000 119.266 0.150 148.679 -91.984 123.801-171.957 138.650 -91.838 129.584-105.553 140.889 -91.717 128.143 -49.130 149.785-156.088 134.493 -77.724 0.000 0.000 113.021 0.000 137.621 -41.858 # 94 total E -1.44139E+00 rmsd from N 0.000 %NC 0.00 93.080 125.837 145.951-128.212 138.511 -94.219 0.000 0.000 118.231 -0.928 158.923 175.545 96.272 179.107 116.383 -76.823 127.257-177.915 166.824-101.453 127.586-178.096 150.763-134.407 118.964 14.961 152.206 -19.957 123.186-174.497 0.000 0.000 120.457 110.266 179.982-172.332 133.437 174.272 106.565 -81.606 124.885 171.735 165.604 -63.486 121.239 104.185 152.964 -19.449 121.978-179.561 151.866 -18.740 124.902 -10.584 0.000 0.000 120.645 173.573 149.581 -99.076 133.586-176.513 143.363 -94.418 129.583-173.394 140.127 -86.673 123.595 17.746 147.934-144.226 130.375-150.740 0.000 0.000 119.373 0.000 138.038 172.780 # 95 total E -1.19018E+00 rmsd from N 0.000 %NC 0.00 120.706-150.062 122.667 -29.609 121.008 -7.694 0.000 0.000 145.500-176.031 146.709 23.978 106.707 -94.118 117.757 -79.341 141.863 178.149 155.553 -82.336 93.866 -14.188 120.305-121.657 116.251 17.577 150.729-149.132 135.305-171.918 0.000 0.000 133.354-109.544 137.953 49.623 123.303 -3.226 158.046-176.784 118.922 2.739 136.389 -96.128 121.184-176.305 152.488 -20.104 117.940 -55.367 158.233-153.705 125.079 -93.310 0.000 0.000 126.309-178.130 150.427 -94.084 126.464-172.476 167.160 -72.444 127.721-107.004 139.674 -87.258 118.520 12.969 150.203-152.648 129.956 107.552 0.000 0.000 118.323 0.000 136.122-145.564 # 96 total E -1.07683E+00 rmsd from N 0.000 %NC 0.00 113.808 13.267 128.225 -27.574 129.531 -12.841 0.000 0.000 127.359 174.815 154.458 171.654 132.370-178.672 127.358 -82.519 124.847 177.534 168.848 -80.795 118.736 97.694 148.554-145.550 119.219-179.525 150.401-152.082 129.442 -8.191 0.000 0.000 126.919 176.505 133.677 -70.595 129.987 177.071 154.372 6.855 94.497 59.711 142.042 -75.088 95.346 108.677 135.082-117.814 123.236 141.650 157.057 -21.931 134.075 -15.073 0.000 0.000 125.292 -9.176 150.198 -94.119 119.597 -5.721 137.055 -89.803 119.014 178.816 136.610 -94.199 134.691 20.614 152.887 15.457 136.197 -87.937 0.000 0.000 117.546 0.000 133.295-162.891 # 97 total E -3.04053E-01 rmsd from N 0.000 %NC 0.00 93.006 108.295 139.964-134.288 130.089 -8.859 0.000 0.000 127.783 98.549 158.018 151.681 133.452-119.574 126.232 -82.614 131.544-172.954 144.355 -71.108 117.341 12.692 142.852-156.026 96.302 60.686 144.905-138.386 96.104 65.932 0.000 0.000 94.449 14.465 122.870 55.618 128.744 1.387 152.637 7.996 129.816-179.375 144.352 -95.766 124.791 177.895 149.964-166.720 120.448 19.643 152.236 -19.117 98.230 172.497 0.000 0.000 129.440-109.430 147.281 -82.016 132.486-171.985 140.679 -86.308 130.298 179.892 141.913 -90.168 129.831 177.065 147.586-151.917 137.804 -84.065 0.000 0.000 113.231 0.000 137.585 -41.685 # 98 total E 4.41343E-01 rmsd from N 0.000 %NC 0.00 113.616 13.496 145.922-147.812 131.862 -88.368 0.000 0.000 121.241-168.845 100.917 -47.967 119.373 -7.595 121.154 -80.206 121.908 -7.371 168.619 -62.173 112.460 172.326 144.355-156.189 120.876 17.827 138.185 173.751 121.847-175.561 0.000 0.000 118.619 65.958 126.170 -68.817 129.121 175.242 153.546 165.427 124.528-103.681 166.097 -44.410 117.529 -95.177 149.045-153.893 116.858 -52.595 111.664 -82.918 124.658 80.311 0.000 0.000 114.314 -2.537 147.816 -91.511 127.125 177.004 142.169 -89.099 115.317 -3.764 166.884 -68.018 114.825 -67.755 149.765-147.962 135.394 -89.339 0.000 0.000 113.457 0.000 137.789 -41.985 # 99 total E 1.75063E+00 rmsd from N 0.000 %NC 0.00 120.092 -27.309 149.816 166.625 97.661 66.701 0.000 0.000 130.085 168.273 152.254 172.473 123.803 112.111 123.379 -79.450 121.118 109.698 169.186 -73.009 130.337 176.039 142.474-127.602 120.493 -58.837 151.673 -20.987 124.658 -89.745 0.000 0.000 125.906-174.040 179.982-153.844 130.717-103.767 159.051 148.395 126.171-102.192 135.662 -86.358 120.009-117.281 150.660 -21.162 95.167 56.599 144.062-135.659 95.219 66.163 0.000 0.000 94.958 26.321 139.537 -98.004 124.531 1.702 138.778 -93.943 124.108 176.262 167.605 -69.910 128.501 175.409 152.466 -84.865 137.827 -89.795 0.000 0.000 117.596 0.000 134.631-164.368 # 100 total E 2.76758E+00 rmsd from N 0.000 %NC 0.00 122.553-122.628 144.570-152.194 127.432 178.210 0.000 0.000 123.629 -1.891 101.557 -68.003 119.480 179.543 123.581 -81.970 119.513 109.116 170.375 -65.416 92.563 68.422 124.874-120.979 114.565 170.361 106.075 -86.696 140.989 170.128 0.000 0.000 120.550 -8.239 140.008 -55.333 112.980 -7.942 132.981-128.704 121.920 175.929 138.768 -98.469 116.765 12.247 116.476 -82.963 115.397-163.607 151.012-152.803 116.950 -15.325 0.000 0.000 108.431 160.980 142.707 -88.785 130.630 -3.269 141.964 -97.354 122.730 -7.912 138.187 -92.323 124.223 -71.061 149.330-143.395 134.683 -63.109 0.000 0.000 116.032 0.000 134.908-147.116