jlee = 1 nbank = 100 nstep = 30130 10534484 0 360.80532 nglob_csa = 68 eglob_csa = -3.12551E+01 # 1 total E -2.70096E+01 rmsd from N 0.000 %NC 0.00 1 93.107 131.118 107.973 25.786 115.907 -13.632 0.000 0.000 147.164-163.753 113.243 -52.512 128.345-149.581 126.950 -82.354 127.632-138.800 169.840 -84.126 141.047-170.443 159.560-171.987 117.207 -84.804 135.575-125.570 92.142 0.725 0.000 0.000 94.761 78.553 124.383 -66.032 132.915-154.220 149.270 153.361 127.020-163.010 158.431 1.477 131.996-138.857 160.014 -10.294 152.591 -67.177 116.314 -86.320 96.356 70.015 0.000 0.000 91.865 64.839 137.416 -77.611 93.001 82.599 140.724 -72.375 94.289 73.298 127.849-111.199 93.649 62.267 110.830-120.654 97.989 88.787 0.000 0.000 118.725 0.000 131.590-160.752 # 2 total E -2.56623E+01 rmsd from N 0.000 %NC 0.00 1 92.999 131.600 115.386 49.946 94.867 64.232 0.000 0.000 91.473 53.162 143.815 -91.348 88.919 54.392 113.970 -73.111 94.939 57.080 140.085 -74.441 94.697 -1.262 118.459-128.836 126.662-151.827 154.456 -12.033 94.090 50.364 0.000 0.000 92.458 74.009 136.435 -83.401 91.960 76.880 90.464 -75.667 90.930 72.759 129.151-116.987 92.858 100.271 98.664 -86.063 134.425-154.143 146.683-148.299 93.007 54.035 0.000 0.000 91.212 69.491 136.827 -71.217 91.637 77.936 139.582 -72.487 92.993 77.337 123.610-108.836 97.065 176.273 108.925-108.192 144.360 -34.174 0.000 0.000 116.304 0.000 128.070-151.267 # 3 total E -2.77165E+01 rmsd from N 0.000 %NC 0.00 1 93.116 130.332 111.048 16.101 112.003 162.057 0.000 0.000 137.018-170.168 102.394 -47.635 113.481-152.978 144.363-101.858 134.772-157.291 135.748 -50.854 128.482-177.862 146.720 168.872 126.655 -80.682 151.378 176.381 92.866 -2.604 0.000 0.000 94.523 85.189 128.871 -64.554 130.401-168.619 131.975 -33.217 114.989-170.812 131.734-110.749 145.479-150.196 149.943 16.898 138.817 -56.117 117.125 -83.352 117.399 -2.759 0.000 0.000 93.508 92.638 140.490 -94.102 93.458 70.371 141.663 -73.676 94.684 94.162 142.500 -76.308 93.778 77.610 121.254-115.538 97.267 93.063 0.000 0.000 116.774 0.000 140.034-126.390 # 4 total E -2.59559E+01 rmsd from N 0.000 %NC 0.00 1 93.124 127.842 111.098 8.415 118.053 -17.354 0.000 0.000 150.271-172.117 109.521 -49.551 112.348-153.627 143.016-103.011 135.550-158.374 137.461 -51.132 128.016-177.815 146.539 169.152 126.661 -81.101 151.217 176.436 92.787 -2.256 0.000 0.000 94.554 84.751 128.893 -64.492 130.746-168.551 131.888 -32.851 115.320-170.923 131.512-110.939 144.337-151.790 150.052 17.454 139.548 -55.744 116.953 -84.087 119.085 -4.760 0.000 0.000 94.389 106.882 139.531 -89.459 95.024 57.039 140.959 -74.114 114.288 164.951 138.495-104.139 130.575 -61.081 145.970-165.004 97.109 150.585 0.000 0.000 119.894 0.000 132.606-153.267 # 5 total E -2.52939E+01 rmsd from N 0.000 %NC 0.00 1 93.108 129.932 107.661 27.302 106.753 -38.898 0.000 0.000 94.397 138.824 95.357 -36.470 92.226 55.034 117.728 -77.302 94.129 80.344 143.407 -75.501 92.866 80.214 130.389-156.578 128.246 174.063 108.248 -86.807 123.036 -13.513 0.000 0.000 121.085-155.297 148.476 -47.653 139.116-128.144 147.669 160.951 140.381-167.907 147.173 -83.541 106.539 -87.986 135.250-158.102 92.710 6.070 143.432-135.577 97.145 71.273 0.000 0.000 131.014-141.664 159.013-126.518 126.577-163.620 141.330 -88.518 139.725-139.025 136.942 -91.632 129.388 -55.580 145.903 166.430 133.325 -81.536 0.000 0.000 117.572 0.000 129.383-156.480 # 6 total E -2.79772E+01 rmsd from N 0.000 %NC 0.00 0 122.720-131.713 120.207 -31.301 113.933 1.902 0.000 0.000 135.696-170.445 99.776 -48.835 114.405-152.420 125.619 -84.341 137.084-158.481 139.846 -58.749 126.239-177.912 145.929 169.665 126.743 -80.513 149.288 176.883 92.871 -2.842 0.000 0.000 94.519 85.339 128.831 -64.440 130.481-168.767 132.245 -32.988 114.306-171.247 131.782-110.843 145.506-152.809 149.262 20.884 140.611 -56.181 117.935 -83.480 116.500 -2.427 0.000 0.000 93.574 92.459 140.690 -95.913 93.600 70.611 141.708 -73.619 94.771 95.895 142.464 -76.026 93.764 76.215 121.569-117.013 97.294 92.830 0.000 0.000 116.618 0.000 140.819-124.479 # 7 total E -2.48021E+01 rmsd from N 0.000 %NC 0.00 1 93.074 133.991 107.506 40.498 114.299 37.638 0.000 0.000 129.754-166.131 126.301 51.091 91.466 69.130 113.894 -78.540 92.834 88.773 146.096 -77.441 92.289 77.214 113.298-107.585 128.121-125.870 143.921-158.888 95.897 60.107 0.000 0.000 92.416 61.415 127.097 -69.983 92.501 100.898 131.751-123.742 90.862 69.127 130.235-110.588 92.899 96.057 103.893 -89.002 124.538-178.297 105.414 -91.823 97.004 58.389 0.000 0.000 93.663 58.190 134.932 -78.752 93.496 89.700 143.960 -74.397 94.085 86.011 127.348-100.812 98.498 178.973 101.102-106.549 136.088 -50.300 0.000 0.000 115.610 0.000 132.833-140.982 # 8 total E -2.48706E+01 rmsd from N 0.000 %NC 0.00 1 93.098 130.494 111.181 20.983 115.049 169.776 0.000 0.000 138.598-102.053 106.421 -54.459 118.216-161.139 123.894 -82.864 131.455-164.053 136.104 -66.166 102.833 10.590 133.597-139.478 123.710-115.596 109.635 -83.172 94.256 52.708 0.000 0.000 90.948 63.521 128.499 -62.691 90.055 91.145 116.877 -41.069 90.545 80.516 124.208-100.297 92.015 83.691 103.210 -89.897 112.735-169.295 105.060 -83.539 111.227 6.165 0.000 0.000 93.468 93.922 138.633 -83.170 93.612 64.840 140.672 -74.318 94.815 102.556 142.768 -76.204 93.958 79.982 123.701-108.376 97.106 98.417 0.000 0.000 116.296 0.000 140.158-109.559 # 9 total E -2.46442E+01 rmsd from N 0.000 %NC 0.00 1 123.614-120.042 120.594 -31.900 110.444 -6.472 0.000 0.000 117.905-179.167 104.052 -49.271 96.263 -3.543 119.181 -79.179 115.699 179.323 166.214 25.455 93.295 22.372 141.161 155.215 120.034-103.899 147.338 -31.830 106.722 -0.791 0.000 0.000 94.163 116.042 102.964 57.900 95.644 74.551 89.712 -66.447 149.587 176.636 154.640 -77.391 105.048 3.064 110.130 -83.456 105.972-100.798 112.538 -83.014 127.616 -10.036 0.000 0.000 93.538 72.964 143.118 -97.751 92.904 56.659 142.040 -74.393 96.200 86.688 109.371 -99.393 139.014-175.474 150.216-179.559 96.014 135.967 0.000 0.000 117.018 0.000 120.213-104.322 # 10 total E -2.46054E+01 rmsd from N 0.000 %NC 0.00 1 93.098 130.851 112.426 19.182 128.744 -68.193 0.000 0.000 124.010-174.364 104.908 -51.969 96.195 -6.543 119.622 -79.327 114.510-179.698 165.178 32.152 93.499 18.961 139.141 151.434 119.851-104.258 147.715 -30.152 107.452 -1.279 0.000 0.000 94.409 116.000 100.758 59.547 95.606 83.495 87.394 -69.134 149.323 177.653 154.455 -82.522 104.636 3.152 109.650 -83.332 104.136 -96.157 146.760-139.143 110.729 -15.890 0.000 0.000 93.053 100.146 140.042 -97.334 92.969 71.074 141.672 -74.428 95.487 99.978 121.354-104.045 128.836 179.167 146.937-119.799 122.616 178.583 0.000 0.000 120.592 0.000 129.121-161.176 # 11 total E -2.46229E+01 rmsd from N 0.000 %NC 0.00 1 93.119 131.923 108.644 23.132 132.343 -93.996 0.000 0.000 125.580-140.583 101.879 -48.886 134.526-141.389 167.680-100.501 130.034-156.049 168.343 -43.890 93.018 -85.479 126.075-148.234 93.592 5.719 143.459-137.517 97.867 68.136 0.000 0.000 127.559-129.957 168.307 -88.581 137.507-169.415 156.814 168.037 136.172-151.816 148.310 -98.622 109.443 -92.609 138.287 166.419 92.230 7.853 125.246-161.269 97.028 67.690 0.000 0.000 141.550-135.395 166.444-138.862 131.199-162.828 130.225 -76.157 94.013 64.540 123.050-116.164 100.816-175.902 100.077-126.836 138.435 -81.148 0.000 0.000 118.107 0.000 128.960-173.929 # 12 total E -2.80199E+01 rmsd from N 0.000 %NC 0.00 1 92.959 130.739 124.390 69.098 132.653-175.324 0.000 0.000 126.385-138.499 144.991 155.024 130.501-130.429 164.829 -66.967 136.057-162.818 125.533 -60.659 93.000 -89.778 124.952-138.029 92.724 8.565 145.051-158.784 97.145 69.675 0.000 0.000 126.461-134.881 132.594 52.198 127.100-161.061 130.032 -40.081 128.545-139.550 145.033-108.262 143.993-117.979 161.901-165.812 124.483 -66.695 133.585-161.393 108.272 -6.950 0.000 0.000 93.506 100.279 138.731 -92.911 95.171 117.676 141.247 -75.353 94.943 91.308 141.485 -74.583 97.134 175.901 102.742-111.580 153.767 -26.099 0.000 0.000 116.900 0.000 124.629-157.173 # 13 total E -2.48862E+01 rmsd from N 0.000 %NC 0.00 1 122.409-134.236 121.397 -31.005 121.044 -79.106 0.000 0.000 125.034-172.440 105.316 -52.866 96.397 -6.786 118.578 -80.000 115.524 171.351 165.748 33.908 93.483 23.626 140.080 164.680 120.215-102.269 148.849 -25.914 111.783 -6.337 0.000 0.000 93.672 116.444 101.346 63.054 93.105 70.383 87.108 -71.515 91.534 96.792 139.635-117.815 93.748 68.309 101.243 -88.056 115.199-123.231 102.852 -92.442 113.207 -13.024 0.000 0.000 94.018 99.228 138.678 -87.073 94.091 64.619 142.470 -74.657 94.534 99.898 142.756 -75.168 94.072 85.417 124.031-105.125 97.115 107.068 0.000 0.000 116.863 0.000 137.531-114.870 # 14 total E -2.58430E+01 rmsd from N 0.000 %NC 0.00 1 92.952 131.025 116.914 71.816 96.850 53.362 0.000 0.000 93.318 63.093 120.179 -57.079 89.192 57.590 113.651 -76.502 93.932 75.365 106.931 -77.369 93.074 24.503 132.432-134.982 112.593-158.684 152.628 -8.846 93.952 52.867 0.000 0.000 91.463 67.786 136.403 -86.699 90.614 72.644 92.181 -72.711 89.851 83.297 131.977-128.466 91.904 67.150 100.446 -86.232 112.293-132.806 102.360 -89.491 111.742 -11.742 0.000 0.000 94.235 105.404 138.218 -81.598 94.714 66.411 142.441 -74.722 94.853 92.961 141.915 -73.951 93.561 78.578 131.269-140.357 97.590 94.266 0.000 0.000 116.607 0.000 140.031-121.386 # 15 total E -2.47401E+01 rmsd from N 0.000 %NC 0.00 1 124.083-102.768 127.164 -19.354 142.903 -9.555 0.000 0.000 119.954 -7.201 154.976-176.100 95.497 166.219 112.475 -78.574 95.154 78.044 120.595-115.629 92.538 77.090 128.578-131.939 120.283-148.444 117.782 -84.394 95.067 61.685 0.000 0.000 92.132 61.599 131.562 -72.257 90.694 70.194 120.639 -37.140 89.288 74.986 126.007-105.965 91.875 74.311 100.458 -90.651 114.958-165.824 106.002 -86.962 109.363 -0.255 0.000 0.000 93.752 101.141 138.109 -82.115 94.503 67.897 140.838 -74.477 95.692 108.821 141.400 -73.223 94.147 30.739 123.718-113.767 124.361-166.327 0.000 0.000 117.290 0.000 150.292 121.674 # 16 total E -2.80101E+01 rmsd from N 0.000 %NC 0.00 0 93.130 130.929 107.546 23.939 113.361 -12.716 0.000 0.000 147.113-171.205 106.702 -49.029 111.947-152.762 141.996-105.640 135.470-158.122 136.787 -50.532 128.166-178.007 146.619 169.055 126.645 -80.715 151.560 176.420 92.854 -2.622 0.000 0.000 94.525 85.135 128.844 -64.507 130.317-168.751 132.071 -33.237 115.212-171.094 131.887-110.641 145.192-150.402 151.175 18.444 139.496 -55.057 117.625 -83.579 116.818 -3.644 0.000 0.000 93.701 94.112 140.484 -96.937 93.845 69.626 141.613 -73.604 94.787 96.943 142.846 -76.016 93.811 76.239 121.967-116.167 97.338 92.189 0.000 0.000 116.620 0.000 140.889-124.416 # 17 total E -2.48028E+01 rmsd from N 0.000 %NC 0.00 1 93.052 131.134 114.527 31.771 110.828 174.751 0.000 0.000 148.281-171.624 111.959 -59.079 94.201 -7.660 119.757 -79.281 113.383-175.654 165.234 25.150 93.407 20.306 137.307 142.001 118.299-106.453 148.143 -28.102 106.210 0.929 0.000 0.000 93.959 115.628 105.385 58.495 95.384 68.585 90.934 -67.625 146.659 169.641 148.712 -84.988 94.643 28.287 109.648 -83.452 112.342-125.012 102.707 -88.840 118.307 -2.194 0.000 0.000 93.359 82.179 143.517-120.823 91.780 68.743 143.300 -74.914 94.941 87.241 110.761 -81.346 127.548 178.500 147.766-156.669 118.949 170.632 0.000 0.000 120.816 0.000 128.386-164.329 # 18 total E -2.49482E+01 rmsd from N 0.000 %NC 0.00 1 93.096 131.187 112.215 20.914 129.549 -69.687 0.000 0.000 125.239 174.503 99.801 -59.663 94.471 -2.088 117.177 -77.916 118.180-178.642 164.519 -39.124 104.711 -0.224 138.712 149.416 112.870-118.228 112.188 -82.661 94.558 53.933 0.000 0.000 92.326 64.140 117.161 -48.680 91.806 108.501 100.939 -52.757 92.483 76.850 123.153-110.000 91.575 66.248 105.436 -87.181 108.080-161.995 103.702 -78.230 109.318 -6.172 0.000 0.000 93.686 111.407 150.721 128.013 93.799 71.126 141.622 -74.849 94.934 94.021 140.100 -74.082 124.782 174.736 143.535 174.561 137.695 -81.351 0.000 0.000 117.142 0.000 134.407-161.832 # 19 total E -2.54626E+01 rmsd from N 0.000 %NC 0.00 1 93.070 119.344 135.316 95.126 95.216 60.148 0.000 0.000 92.511 49.837 88.796 -51.042 89.878 65.241 148.958 -24.934 90.981 59.478 140.469 -75.072 91.361 60.761 127.752-138.935 103.203-177.637 119.686-124.204 96.372 44.183 0.000 0.000 93.358 59.470 132.417 -74.359 91.453 69.330 122.892 -36.023 88.261 67.391 128.730-121.508 89.201 66.442 100.022 -88.926 103.272-166.821 124.702-129.640 95.453 54.360 0.000 0.000 92.761 63.477 139.972 -89.453 93.426 66.736 139.973 -72.665 94.432 75.909 125.202-128.321 92.611 87.630 116.689-115.284 128.502 24.534 0.000 0.000 116.167 0.000 102.122-124.000 # 20 total E -2.53624E+01 rmsd from N 0.000 %NC 0.00 1 93.100 131.218 111.901 20.442 130.267 -70.858 0.000 0.000 131.479-175.069 98.960 -54.851 96.516 -7.582 116.928 -77.497 118.092 173.992 170.889 -70.606 93.955 -4.718 143.219-150.832 117.542-115.178 113.094 -82.175 94.503 47.249 0.000 0.000 92.724 66.399 131.806 -65.757 92.144 100.487 115.691 -36.874 93.566 68.251 124.809-108.248 94.546 112.198 139.948-141.882 140.211-168.057 105.747 -77.113 111.864 9.681 0.000 0.000 95.104 108.760 138.692 -92.594 94.506 63.889 140.335 -71.638 94.547 104.065 143.401 -73.514 94.106 81.213 123.355-103.136 97.418 96.307 0.000 0.000 116.171 0.000 140.475-108.806 # 21 total E -2.47651E+01 rmsd from N 0.000 %NC 0.00 1 93.120 126.101 114.168 -4.629 130.217-118.881 0.000 0.000 116.099 0.272 153.339-177.867 93.853-178.862 117.244 -75.109 95.145 66.430 129.061-128.138 92.291 93.890 130.543-123.954 125.580-164.913 150.136 -38.505 94.101 50.881 0.000 0.000 91.570 67.190 130.405 -67.881 91.118 77.873 116.405 -39.236 89.821 68.026 123.964-109.382 93.526 97.780 100.710 -89.312 133.236 177.484 106.967 -89.649 96.040 66.713 0.000 0.000 93.950 62.641 142.079-115.520 93.608 94.043 142.853 -72.075 95.085 88.288 127.694-108.482 124.702-169.803 131.546-128.645 116.753-168.749 0.000 0.000 120.956 0.000 124.067-159.844 # 22 total E -2.49756E+01 rmsd from N 0.000 %NC 0.00 1 124.124-102.008 126.449 -19.044 140.422 -8.929 0.000 0.000 121.952 -8.049 149.372-164.772 94.808 168.371 113.105 -77.619 95.278 77.764 120.670-119.725 92.511 76.432 128.488-130.777 120.865-148.683 117.636 -83.298 95.014 62.039 0.000 0.000 92.201 61.766 131.758 -72.789 90.670 70.137 120.438 -36.699 89.428 75.232 125.717-105.536 92.035 74.236 100.468 -90.780 115.255-167.541 106.058 -86.315 109.835 0.408 0.000 0.000 93.569 95.356 139.250 -95.687 94.160 73.076 140.926 -74.474 95.669 91.819 140.764 -73.653 127.640 170.345 142.495 141.378 96.886 115.064 0.000 0.000 119.379 0.000 128.178-147.282 # 23 total E -2.46513E+01 rmsd from N 0.000 %NC 0.00 1 93.059 131.258 113.376 31.452 111.471 173.737 0.000 0.000 146.364-175.506 110.052 -59.256 93.360 -8.053 118.895 -78.760 112.558-174.329 168.082 4.704 93.292 20.840 141.075 142.904 118.575-104.144 147.074 -32.925 103.540 1.659 0.000 0.000 94.153 115.846 101.848 58.354 95.588 76.148 90.970 -63.928 147.073 178.456 155.306 -77.591 106.018 3.182 107.399 -83.517 107.212-104.674 112.906 -87.684 125.941 -2.958 0.000 0.000 93.486 71.589 143.006-119.150 92.012 61.062 142.768 -74.676 95.277 86.743 111.721-106.908 93.684 81.109 139.230-176.710 96.356 130.818 0.000 0.000 119.638 0.000 124.284-139.545 # 24 total E -2.66314E+01 rmsd from N 0.000 %NC 0.00 0 93.108 132.331 105.294 30.621 115.834 169.166 0.000 0.000 127.433-144.798 103.728 -53.556 131.979-147.889 169.675 -88.277 130.109-158.263 169.485 -64.802 93.337 -87.362 127.563-139.054 92.942 6.347 143.502-138.017 97.084 71.528 0.000 0.000 123.085-141.168 143.542 54.755 132.593-165.538 142.514 -19.639 133.133-157.508 148.628-114.972 146.406-125.556 161.964 146.625 118.327 -53.961 146.036-147.865 114.679 -5.765 0.000 0.000 96.270 117.904 138.838 -99.828 135.589 169.967 128.669 -69.392 132.494 115.878 141.814 -95.680 125.055 168.564 140.492-136.642 145.905 -11.449 0.000 0.000 117.033 0.000 119.826-151.356 # 25 total E -2.53572E+01 rmsd from N 0.000 %NC 0.00 1 93.101 131.517 103.710 37.297 110.266 -50.109 0.000 0.000 94.710 147.644 102.332 -40.715 93.824 6.367 119.035 -76.297 117.983-178.311 167.103 -60.459 94.026 0.455 144.104-143.323 122.123-124.266 115.166 -83.370 94.735 56.309 0.000 0.000 92.457 67.347 115.657 -47.769 91.003 92.406 103.755 -57.798 90.216 72.545 123.953-108.209 92.505 94.534 100.143 -90.417 117.113-164.439 134.454-143.593 95.567 50.607 0.000 0.000 92.541 63.484 136.142 -75.785 92.975 81.418 142.145 -74.147 92.711 73.886 124.679-106.956 97.834 179.459 113.211-119.700 131.455 11.882 0.000 0.000 115.469 0.000 133.848-144.715 # 26 total E -2.47184E+01 rmsd from N 0.000 %NC 0.00 1 93.068 134.549 98.406 52.665 114.990 5.298 0.000 0.000 133.985-162.003 137.620 47.616 91.938 64.480 112.138 -77.252 92.876 89.475 146.510 -77.945 92.382 80.908 109.027-101.525 128.121-126.518 142.407-158.640 95.780 57.946 0.000 0.000 92.213 61.328 128.753 -75.688 92.070 94.682 134.421-122.012 89.940 66.106 129.421-108.221 92.043 87.753 103.910 -88.373 121.589-177.379 108.474 -97.576 96.382 63.669 0.000 0.000 93.336 61.577 137.041 -81.250 93.102 75.150 143.260 -72.949 93.732 78.064 124.149-105.084 93.190 87.811 113.378-117.441 97.131 96.576 0.000 0.000 118.422 0.000 130.081-143.110 # 27 total E -2.51996E+01 rmsd from N 0.000 %NC 0.00 1 93.128 131.605 105.011 27.119 114.391 -21.796 0.000 0.000 130.904-145.947 100.687 -51.847 131.815-142.844 163.461 -62.210 138.548-161.713 152.361 -76.203 102.428 -86.882 129.495-140.556 92.693 5.373 143.592-138.698 96.994 71.989 0.000 0.000 127.546-144.488 134.897 56.596 133.226-164.093 140.330 -26.666 134.252-152.337 150.134-108.712 141.032-131.140 159.403 147.942 137.629 -52.107 113.496 -82.728 113.644 -0.943 0.000 0.000 94.095 107.442 138.164 -77.204 93.499 70.347 139.199 -71.454 94.918 100.449 141.815 -74.602 126.174 178.253 149.814-107.488 124.565-179.952 0.000 0.000 120.509 0.000 130.020-161.916 # 28 total E -2.50335E+01 rmsd from N 0.000 %NC 0.00 1 93.124 131.162 106.466 24.755 113.441 178.741 0.000 0.000 126.806-177.671 102.494 -54.971 97.458 -4.649 116.927 -77.371 121.154 172.664 169.126 -76.744 93.733 -3.773 141.721-164.645 117.450-115.790 115.886 -81.620 95.336 45.623 0.000 0.000 92.525 66.506 128.558 -62.580 91.249 86.519 114.234 -40.317 91.550 73.771 116.374 -98.923 93.844 94.503 102.918 -88.693 129.823-171.046 107.649 -86.856 107.495 -0.884 0.000 0.000 93.573 98.460 138.644 -85.364 93.950 67.745 140.512 -74.336 94.484 95.799 142.288 -75.898 93.901 81.793 123.027-107.483 97.328 99.123 0.000 0.000 116.530 0.000 139.341-116.011 # 29 total E -2.61999E+01 rmsd from N 0.000 %NC 0.00 1 124.027-108.492 125.230 -30.510 98.916 62.156 0.000 0.000 147.238-177.219 108.503 -48.249 114.428-151.280 124.327 -83.290 136.428-158.327 142.568 -62.889 125.777-177.736 146.217 169.603 126.684 -80.619 146.972 174.927 92.891 -2.585 0.000 0.000 94.539 85.214 129.080 -65.005 130.664-168.520 131.071 -33.286 113.709-170.656 130.561-111.493 145.008-155.640 145.577 16.257 138.949 -56.320 117.078 -84.192 118.432 -2.768 0.000 0.000 93.414 94.033 140.866 -91.037 93.200 69.940 141.433 -73.816 94.935 98.268 142.266 -76.658 127.243 179.001 146.256-114.520 123.122 179.988 0.000 0.000 120.574 0.000 129.136-161.077 # 30 total E -2.48908E+01 rmsd from N 0.000 %NC 0.00 1 93.104 131.497 104.007 36.060 110.837 -49.254 0.000 0.000 94.927 150.051 98.811 -38.484 92.967 24.441 117.721 -75.454 122.643-167.847 130.986 -67.201 94.161 17.218 128.155-124.201 128.054-120.429 115.090 -83.386 95.167 51.541 0.000 0.000 91.223 64.246 127.690 -62.423 90.239 86.290 119.120 -44.221 89.811 78.265 124.628-101.772 92.066 82.679 101.469 -91.814 115.923-158.536 105.528 -86.391 110.079 3.187 0.000 0.000 93.645 97.661 138.715 -85.034 93.953 71.416 142.002 -74.321 93.996 85.967 142.920 -73.952 93.725 78.573 121.266-111.617 97.275 89.247 0.000 0.000 118.654 0.000 130.718-155.553 # 31 total E -2.54260E+01 rmsd from N 0.000 %NC 0.00 1 93.099 130.950 112.343 19.327 129.291 -69.646 0.000 0.000 119.741 173.736 99.659 -57.849 94.951 -2.364 117.369 -78.081 118.210-178.211 164.667 -36.472 104.930 -0.655 139.676 150.854 112.942-118.968 112.821 -82.642 94.564 53.794 0.000 0.000 92.296 64.508 116.641 -48.253 91.816 108.689 99.922 -52.999 92.180 77.060 123.891-111.147 91.408 65.773 105.242 -87.336 106.320-161.739 102.777 -76.801 109.572 -6.923 0.000 0.000 93.860 110.418 150.305 138.402 94.216 68.601 141.430 -74.728 95.511 104.512 139.924 -73.071 130.212 151.994 149.729 167.448 96.431 122.798 0.000 0.000 118.508 0.000 128.754-129.563 # 32 total E -2.55583E+01 rmsd from N 0.000 %NC 0.00 1 93.100 131.249 111.801 20.610 130.266 -70.560 0.000 0.000 135.790 171.057 96.835 -58.342 94.062 -5.559 117.225 -77.937 121.877-168.991 138.716 -50.294 107.242 3.416 145.299 179.651 119.616-107.181 105.744 -83.817 93.680 51.220 0.000 0.000 91.378 63.763 130.182 -61.944 91.839 111.281 118.691 -40.801 94.177 76.066 128.383-111.021 92.330 106.300 139.705-139.327 133.337-165.136 99.297 -83.966 111.384 -6.450 0.000 0.000 94.899 146.300 129.414 56.356 95.505 57.973 140.757 -75.447 95.571 114.508 141.943 -72.938 94.497 69.745 123.031-109.992 125.209 178.098 0.000 0.000 119.922 0.000 137.357 163.040 # 33 total E -2.51657E+01 rmsd from N 0.000 %NC 0.00 1 93.115 124.341 115.803 -13.356 144.620 -75.351 0.000 0.000 121.577-146.657 104.773 -49.761 135.302-149.591 170.424 -73.202 136.244-162.884 156.568 -97.424 103.644 -87.915 131.020-134.106 92.438 5.673 143.519-136.941 96.844 72.722 0.000 0.000 126.317-149.550 137.620 55.132 131.698-162.506 143.243 -24.851 133.947-161.406 149.648-115.211 147.245-140.697 160.355 151.728 116.621 -41.610 139.655-138.405 120.624 -11.982 0.000 0.000 95.990 120.380 143.302-108.182 133.690-179.715 131.556 -78.457 125.444 148.110 138.735 -94.500 123.232 175.141 129.234-121.185 143.758 -67.572 0.000 0.000 118.058 0.000 121.425-156.669 # 34 total E -2.45892E+01 rmsd from N 0.000 %NC 0.00 1 93.103 128.533 114.592 8.716 130.822-171.467 0.000 0.000 110.575 8.116 150.746-134.502 94.812 178.666 117.297 -75.121 94.561 66.598 128.807-124.687 92.149 96.014 130.077-126.264 120.950-163.384 147.953 -43.510 94.422 52.850 0.000 0.000 91.610 62.126 129.445 -66.868 90.636 66.779 119.679 -42.032 89.780 71.944 124.963-105.935 92.447 73.358 100.435 -88.647 117.637-165.224 106.080 -87.950 108.391 -1.513 0.000 0.000 93.741 97.334 139.038 -93.627 94.262 70.438 140.957 -74.466 95.525 98.533 141.731 -73.976 122.329 171.776 154.694 5.263 97.149 104.287 0.000 0.000 119.332 0.000 128.664-154.481 # 35 total E -2.62189E+01 rmsd from N 0.000 %NC 0.00 1 93.116 83.853 115.285 -20.074 152.497 -65.281 0.000 0.000 126.921-142.634 95.884 -52.181 123.957-141.448 154.062-122.999 137.080-159.520 136.767 -50.612 93.100 -88.104 125.914-144.395 92.922 7.198 144.902-150.975 97.174 70.547 0.000 0.000 123.755-139.399 133.718 55.815 134.896-165.456 139.795 -24.558 128.053-146.561 148.409-112.249 145.052-120.586 167.450 164.689 112.675 -55.226 104.432 -92.691 105.403 -61.426 0.000 0.000 92.216 112.267 137.967 -94.893 95.190 62.973 140.465 -74.584 95.331 105.380 143.959 -76.016 93.731 72.806 122.744-104.817 97.165 100.592 0.000 0.000 115.867 0.000 140.760 -94.046 # 36 total E -2.51358E+01 rmsd from N 0.000 %NC 0.00 1 93.096 131.018 112.497 20.245 129.016 -61.894 0.000 0.000 134.497-176.692 106.686 -54.944 94.319 -6.424 119.188 -79.034 112.756-174.498 167.245 15.822 93.355 19.442 141.251 143.172 118.626-105.468 147.369 -31.537 104.157 1.949 0.000 0.000 94.167 115.278 100.701 59.423 95.402 77.201 89.181 -65.733 147.014 179.050 155.740 -79.118 105.985 3.907 107.191 -83.450 106.591-107.327 112.695 -85.533 126.309 -3.139 0.000 0.000 93.799 70.645 141.662-113.870 92.645 59.294 142.378 -74.520 96.206 82.456 110.372-102.459 137.096-175.760 151.491-179.465 96.074 134.588 0.000 0.000 116.953 0.000 122.433-103.553 # 37 total E -2.46386E+01 rmsd from N 0.000 %NC 0.00 1 92.995 124.800 129.879 78.772 95.282 57.945 0.000 0.000 91.737 54.079 97.189 -38.934 89.474 57.125 115.302 -75.307 91.335 57.792 140.054 -74.469 91.553 65.468 126.293-138.684 104.351-178.734 121.609-123.823 95.133 46.931 0.000 0.000 92.485 60.284 131.675 -73.484 90.965 68.245 117.271 -34.837 88.946 71.812 129.842-129.376 91.076 74.902 100.439 -88.807 114.978-161.774 105.960 -86.759 112.767 1.900 0.000 0.000 94.692 110.277 138.964 -97.985 95.696 60.395 141.242 -74.373 144.459-174.741 139.753 -47.515 100.613 173.281 134.916-100.877 136.177 11.498 0.000 0.000 114.250 0.000 136.833-123.467 # 38 total E -2.74330E+01 rmsd from N 0.000 %NC 0.00 1 93.113 131.189 108.060 25.632 115.868 -11.341 0.000 0.000 147.913-164.683 114.576 -53.489 127.149-149.377 125.648 -81.001 132.161-134.704 154.131 -86.611 141.995-171.138 159.502-177.430 117.423 -84.371 135.379-125.506 92.236 0.304 0.000 0.000 94.741 79.019 124.369 -66.078 133.260-153.263 149.273 152.721 126.495-162.610 157.476 3.420 133.461-137.541 157.151 -8.479 147.545 -66.741 115.288 -85.972 122.692 -0.152 0.000 0.000 93.176 74.374 136.747 -79.100 92.656 65.378 141.508 -74.280 95.588 100.587 115.390-125.301 93.489 78.674 122.607-117.051 96.349 123.298 0.000 0.000 118.587 0.000 132.413-134.829 # 39 total E -2.52505E+01 rmsd from N 0.000 %NC 0.00 1 93.065 131.163 113.035 30.517 109.546 174.711 0.000 0.000 144.025-170.058 106.413 -58.591 94.878 -6.724 119.042 -78.702 114.524 169.141 167.547 19.486 93.418 27.479 139.898 165.245 119.250-100.442 148.486 -27.539 109.830 -7.053 0.000 0.000 93.781 120.200 102.594 60.633 93.329 67.959 91.317 -70.562 91.810 97.835 137.751-117.566 94.347 66.631 101.507 -88.093 115.846-123.958 104.541 -92.824 112.788 -13.293 0.000 0.000 93.958 98.030 138.742 -86.716 94.044 64.799 142.433 -74.659 94.558 99.428 142.766 -75.532 94.017 84.247 123.899-105.744 97.061 108.670 0.000 0.000 116.883 0.000 137.333-113.936 # 40 total E -2.55916E+01 rmsd from N 0.000 %NC 0.00 1 93.098 131.194 112.067 20.706 129.853 -72.399 0.000 0.000 132.064 170.202 96.561 -57.789 94.186 -5.345 117.033 -77.793 122.060-168.646 139.313 -51.905 106.087 3.724 144.378-176.070 120.260-107.508 105.899 -83.736 93.745 51.127 0.000 0.000 91.435 63.810 130.472 -62.178 91.969 111.923 118.502 -40.403 94.330 76.387 128.357-111.335 92.460 106.868 139.771-139.422 133.954-164.996 99.335 -84.012 111.534 -7.001 0.000 0.000 94.599 146.670 129.880 58.876 95.137 64.247 141.260 -75.736 95.322 105.870 141.533 -73.426 127.351 175.032 149.574-101.419 125.367-175.206 0.000 0.000 120.459 0.000 129.891-161.566 # 41 total E -2.51551E+01 rmsd from N 0.000 %NC 0.00 1 93.042 116.677 125.979 -17.879 95.902 61.524 0.000 0.000 93.018 47.887 91.251 -49.462 90.111 63.429 149.471 -20.183 91.290 59.936 140.035 -74.834 91.447 61.034 128.838-140.996 102.592-178.744 119.284-122.884 96.398 42.630 0.000 0.000 93.198 60.159 133.817 -78.623 91.245 70.870 118.985 -31.953 88.006 68.687 130.217-123.081 88.934 67.998 99.706 -88.958 102.784-168.727 125.670-127.018 95.513 56.376 0.000 0.000 92.795 64.799 139.955 -88.299 93.393 63.560 140.063 -73.530 93.935 85.903 123.989-129.473 93.317 95.715 119.187-108.558 96.598 122.227 0.000 0.000 120.013 0.000 120.379-142.989 # 42 total E -2.54547E+01 rmsd from N 0.000 %NC 0.00 1 92.952 132.927 115.760 75.173 134.457-179.212 0.000 0.000 125.320-136.942 146.497 160.540 130.962-131.559 164.498 -53.590 135.959-162.727 124.773 -60.991 93.040 -89.764 124.626-137.328 92.748 8.525 145.030-159.015 97.135 69.625 0.000 0.000 126.335-135.180 132.698 51.981 127.731-161.717 128.671 -39.990 128.535-140.701 144.446-110.819 141.901-117.055 162.037-164.448 122.273 -65.765 132.690-162.869 108.298 -10.196 0.000 0.000 93.983 107.614 139.170 -97.833 96.555 102.971 138.916 -72.968 133.690-177.658 141.817 -89.922 126.723 -57.084 135.115-125.374 97.171 143.165 0.000 0.000 118.822 0.000 139.480-145.779 # 43 total E -2.62148E+01 rmsd from N 0.000 %NC 0.00 0 93.109 129.315 110.367 12.272 112.395 162.818 0.000 0.000 137.299-162.923 106.520 -49.913 131.451-146.474 127.514 -82.461 126.614-138.854 167.709 -90.699 140.616-170.147 160.843-178.148 117.073 -84.548 135.360-125.664 92.165 0.436 0.000 0.000 94.786 79.022 124.409 -66.005 132.848-153.797 148.930 152.712 126.781-163.656 159.730 -1.915 133.560-137.573 160.291 -23.459 148.770 -72.656 115.418 -85.911 96.666 60.659 0.000 0.000 92.088 75.274 144.570-121.013 92.532 76.883 96.605 -95.842 95.212 88.813 120.685-115.895 120.869 177.110 145.957-138.708 137.331 -86.005 0.000 0.000 117.325 0.000 136.271-170.960 # 44 total E -2.49034E+01 rmsd from N 0.000 %NC 0.00 1 93.124 131.471 105.851 26.828 113.494-179.956 0.000 0.000 126.430-177.963 101.613 -54.523 97.474 -5.124 117.006 -77.452 120.686 172.579 169.149 -70.684 93.786 -3.730 140.739-171.291 118.184-115.180 115.779 -81.629 95.307 45.601 0.000 0.000 92.373 66.639 128.035 -61.773 90.985 86.233 114.062 -41.147 90.966 75.054 116.222 -98.844 93.281 90.292 102.075 -89.699 123.976-169.897 106.773 -86.326 107.833 -2.377 0.000 0.000 93.660 101.236 138.802 -76.074 94.010 67.422 140.736 -74.509 94.901 100.513 142.532 -75.962 126.058 178.333 148.557-107.010 124.506-179.189 0.000 0.000 120.512 0.000 129.847-161.837 # 45 total E -2.62985E+01 rmsd from N 0.000 %NC 0.00 1 93.115 131.036 107.963 24.979 114.979 -13.884 0.000 0.000 145.752-165.860 111.011 -52.102 129.096-150.561 126.045 -81.099 131.820-135.179 154.467 -88.313 141.707-170.541 159.692-174.474 117.160 -84.218 135.190-125.422 92.245 0.359 0.000 0.000 94.800 78.960 124.343 -66.016 133.130-153.194 149.285 152.654 126.590-162.730 157.401 4.072 133.907-140.022 161.871 -10.826 151.497 -73.828 116.311 -86.171 96.705 62.088 0.000 0.000 91.790 71.291 137.312 -76.058 92.530 78.067 98.015 -95.565 95.210 86.904 122.841-114.802 121.617 179.838 152.365 -99.175 125.437-177.853 0.000 0.000 120.404 0.000 130.769-162.107 # 46 total E -3.12551E+01 rmsd from N 0.000 %NC 0.00 1 93.085 132.405 107.625 35.748 121.067-175.686 0.000 0.000 141.726-141.480 142.194 -37.073 135.841-147.543 156.964-121.556 133.201-162.042 134.483 -54.342 93.453 -89.572 120.720-150.798 93.269 6.508 145.090-158.320 96.961 70.387 0.000 0.000 120.327-146.261 164.081 -29.993 133.715-155.098 144.965-154.527 130.158-163.336 169.021 -44.463 109.850 -91.422 141.116-168.752 91.583 10.277 129.233-164.369 96.986 65.427 0.000 0.000 136.725-144.792 159.920-117.999 129.213-167.639 140.076 -89.439 143.692-147.360 150.343-100.384 126.835 -52.759 149.202-175.662 126.985-142.012 0.000 0.000 118.809 0.000 138.166-161.397 # 47 total E -2.59424E+01 rmsd from N 0.000 %NC 0.00 1 122.876-122.943 128.248 -52.626 96.790 48.821 0.000 0.000 93.433 56.150 141.728 -78.832 90.642 46.752 112.511 -76.616 95.261 69.589 116.933 -81.425 93.258 24.215 128.708-137.557 115.103-160.321 152.835 -6.052 93.260 51.988 0.000 0.000 91.259 66.500 136.296 -86.488 90.093 72.054 95.795 -70.296 89.059 75.824 130.683-131.242 91.059 67.446 99.749 -84.946 113.489-138.748 101.939 -92.210 111.195 -7.350 0.000 0.000 94.247 104.470 139.159 -91.915 94.616 69.546 142.102 -74.590 95.257 94.741 142.091 -74.129 121.188 171.943 153.039 157.244 96.764 116.808 0.000 0.000 119.554 0.000 126.703-147.194 # 48 total E -2.53464E+01 rmsd from N 0.000 %NC 0.00 1 93.126 131.913 108.057 21.494 134.558 -98.488 0.000 0.000 124.268-148.674 100.403 -49.357 133.232-143.957 129.767 -84.268 142.284-164.046 154.936 -71.001 117.024 -14.883 131.206-125.888 95.615 -87.535 107.063 -84.243 94.832 59.149 0.000 0.000 96.326 62.782 126.568 -56.913 125.729-167.607 143.261 130.112 151.540-154.554 164.376 -78.668 133.855-156.083 150.196-170.660 125.913 -70.719 147.438 162.106 92.600 -13.487 0.000 0.000 94.307 92.763 139.017 -97.026 131.577-163.151 139.457 -91.882 137.799-155.327 144.694 -84.734 133.283-170.244 148.352 -99.392 124.790-163.204 0.000 0.000 120.485 0.000 128.104-161.594 # 49 total E -2.53411E+01 rmsd from N 0.000 %NC 0.00 1 92.999 131.861 114.029 52.333 95.096 62.145 0.000 0.000 91.407 52.875 144.152 -91.547 88.862 53.814 114.341 -73.709 94.825 57.566 140.121 -74.311 94.527 0.891 119.086-129.648 126.541-153.103 154.626 -11.270 94.032 51.664 0.000 0.000 92.211 71.239 135.802 -80.909 91.613 78.436 90.159 -74.835 90.859 72.841 128.722-117.664 92.308 99.106 98.725 -86.247 134.073-157.856 146.009-147.815 92.879 54.880 0.000 0.000 91.232 72.309 137.165 -71.867 91.909 71.151 138.803 -72.525 93.411 78.985 120.020-110.768 93.739 92.172 106.732-100.517 128.556 16.516 0.000 0.000 115.879 0.000 128.702-141.755 # 50 total E -2.58495E+01 rmsd from N 0.000 %NC 0.00 1 123.048-118.161 131.522 -63.236 96.920 46.736 0.000 0.000 93.603 62.031 125.665 -61.906 89.725 55.838 112.793 -77.138 93.344 68.366 107.702 -76.996 93.128 25.459 128.320-122.432 114.913-162.088 152.349 -7.590 93.592 51.924 0.000 0.000 91.818 66.088 135.734 -84.960 90.616 71.731 100.601 -69.172 90.234 82.020 127.955-130.118 92.179 68.197 102.086 -86.338 114.151-135.097 103.217 -89.744 111.824 -9.742 0.000 0.000 94.068 101.668 138.650 -81.132 94.414 68.510 142.360 -74.718 94.909 90.119 141.365 -74.559 93.615 81.188 124.005-146.711 97.587 93.415 0.000 0.000 117.362 0.000 137.832-138.039 # 51 total E -2.46056E+01 rmsd from N 0.000 %NC 0.00 1 122.613-128.749 125.132 -42.035 110.126 -0.673 0.000 0.000 130.546-159.925 145.601 41.738 91.094 62.638 114.786 -77.939 92.863 84.977 144.927 -78.083 92.994 89.093 106.979 -96.992 129.308 -86.738 142.861-163.996 123.466 -13.599 0.000 0.000 95.429 105.758 117.417 -50.103 95.480 66.387 115.900 -70.998 146.810 179.902 138.775 -61.298 95.434 57.566 110.070 -83.319 118.480-148.071 106.839 -80.754 111.371 -10.616 0.000 0.000 93.900 105.298 139.785 138.620 95.343 68.590 142.531 -74.909 95.254 118.385 141.618 -74.511 94.445 65.726 125.661-114.186 120.616-179.928 0.000 0.000 120.435 0.000 133.912 174.991 # 52 total E -2.77768E+01 rmsd from N 0.000 %NC 0.00 1 93.121 130.985 107.551 23.930 113.414 -12.806 0.000 0.000 147.181-171.142 106.746 -48.986 111.871-152.675 142.003-105.995 135.322-157.994 136.509 -50.133 128.302-178.015 146.677 168.975 126.711 -80.732 151.724 176.357 92.845 -2.619 0.000 0.000 94.525 85.122 128.869 -64.539 130.376-168.728 131.991 -33.212 115.254-171.032 131.805-110.724 145.143-150.091 151.176 17.936 139.522 -54.797 117.508 -83.633 116.758 -3.715 0.000 0.000 93.749 94.222 140.499 -96.205 94.013 69.883 141.647 -73.656 95.303 102.161 142.743 -75.846 94.043 55.407 122.953-119.128 122.354-179.561 0.000 0.000 118.915 0.000 138.231 131.833 # 53 total E -2.58632E+01 rmsd from N 0.000 %NC 0.00 1 93.117 131.088 107.771 24.579 111.886 172.907 0.000 0.000 130.142-144.138 98.270 -51.164 125.219-142.343 152.026-124.758 136.848-159.299 138.515 -50.452 92.985 -88.405 126.039-144.414 92.848 7.482 144.843-151.985 97.125 70.705 0.000 0.000 123.248-140.609 132.867 55.810 134.349-167.712 140.178 -25.675 132.082-138.919 148.412-108.383 138.305-114.569 156.625 137.385 134.431 -65.037 141.466-162.293 108.552 0.690 0.000 0.000 93.241 106.684 138.294 -76.660 93.241 71.135 138.408 -72.018 94.856 100.508 141.847 -74.605 126.449 177.842 149.489-107.357 124.565-179.666 0.000 0.000 120.503 0.000 129.932-161.891 # 54 total E -2.45875E+01 rmsd from N 0.000 %NC 0.00 1 124.016-105.668 126.902 -21.681 140.746 -7.002 0.000 0.000 121.408 -8.442 145.779-151.582 94.265 172.261 113.456 -78.600 96.266 79.208 118.808-122.868 92.511 72.627 128.370-130.381 125.712-150.195 118.950 -84.649 94.414 61.880 0.000 0.000 91.995 66.287 130.923 -71.273 90.937 74.406 118.568 -37.802 89.653 68.395 123.817-109.288 93.661 97.695 100.250 -89.623 131.243 176.359 107.050 -91.539 96.128 66.868 0.000 0.000 93.517 66.240 136.300 -75.553 93.100 75.861 142.196 -72.632 95.107 93.256 122.836-111.926 94.357 69.078 109.036-106.392 97.290 88.840 0.000 0.000 119.017 0.000 129.631-162.523 # 55 total E -2.52431E+01 rmsd from N 0.000 %NC 0.00 1 93.101 131.187 111.885 20.182 130.274 -72.959 0.000 0.000 123.622-177.950 99.652 -53.831 97.082 -5.635 116.893 -77.443 119.978 172.863 169.852 -74.213 93.851 -4.262 142.100-155.241 117.320-115.504 114.693 -82.193 94.944 45.822 0.000 0.000 92.676 67.003 130.870 -65.068 91.938 95.168 114.514 -37.252 92.901 70.282 121.803-106.145 93.920 94.458 105.679 -86.674 131.604 177.184 97.266 -78.246 96.207 52.621 0.000 0.000 94.043 62.680 139.664 -90.033 93.411 65.371 141.253 -73.023 94.303 79.226 126.562-122.071 93.687 85.541 117.689-109.551 97.187 90.284 0.000 0.000 118.910 0.000 127.708-152.927 # 56 total E -2.51814E+01 rmsd from N 0.000 %NC 0.00 1 92.945 132.797 116.230 79.455 131.778 178.114 0.000 0.000 130.950-149.508 149.336 174.213 130.780-131.615 164.256 -52.427 134.701-162.757 124.026 -59.904 93.015 -89.981 123.791-135.136 92.504 8.657 145.034-157.017 96.990 70.271 0.000 0.000 125.996-135.834 131.112 52.919 126.420-163.731 125.005 -44.653 128.522-137.576 143.954-112.485 146.042-133.713 169.643 178.210 116.585 -45.689 126.349-159.054 120.460 -7.695 0.000 0.000 96.776 125.193 138.926-101.070 133.250-176.165 138.282 -86.714 134.783 176.261 133.322 -86.644 123.065 96.898 150.806 -54.961 97.427 136.771 0.000 0.000 120.315 0.000 122.158-145.443 # 57 total E -2.96597E+01 rmsd from N 0.000 %NC 0.00 1 93.078 132.398 107.740 36.099 119.985-176.413 0.000 0.000 142.763-137.321 139.195 -38.876 132.768-149.056 160.923 -98.117 139.211-160.497 144.883 -58.286 92.892 -85.457 116.752-139.119 93.404 1.724 144.573-149.463 98.076 73.028 0.000 0.000 117.127-147.185 141.134 51.418 144.098-153.303 141.416 172.451 129.737-163.690 169.530 -44.596 110.223 -90.681 140.874-170.038 91.599 9.567 127.533-164.055 97.125 66.143 0.000 0.000 137.463-142.070 159.686-117.308 127.066-166.737 139.757 -90.615 151.169-148.827 153.371 -79.964 94.796 34.220 131.966 -93.914 153.039-116.462 0.000 0.000 115.144 0.000 154.320 109.712 # 58 total E -2.49696E+01 rmsd from N 0.000 %NC 0.00 0 93.126 130.296 111.132 15.064 111.906 161.577 0.000 0.000 136.588-168.338 102.862 -47.847 114.625-154.564 147.122-106.043 136.700-160.783 134.615 -47.064 128.865-177.065 147.291 168.235 127.046 -81.418 154.078-178.390 92.876 -1.823 0.000 0.000 94.457 84.168 128.484 -63.532 132.156-168.815 132.952 -31.044 119.072-171.380 133.927-111.401 144.522-156.728 155.012 16.869 130.427 -69.345 158.548-175.424 94.625 -15.498 0.000 0.000 93.843 92.512 136.641 -89.183 134.978-174.098 142.029 -92.316 132.177-120.329 129.981 -62.410 94.058 38.717 137.036 -63.937 129.672-170.687 0.000 0.000 120.158 0.000 135.039 170.575 # 59 total E -2.58931E+01 rmsd from N 0.000 %NC 0.00 1 93.117 130.310 108.983 20.846 111.900-179.845 0.000 0.000 137.509-149.228 104.203 -52.243 130.898-145.762 165.990 -82.321 136.393-159.038 151.982 -73.198 93.271 -88.676 126.420-142.785 92.694 7.530 144.045-143.610 97.033 70.866 0.000 0.000 122.503-143.348 131.502 58.275 136.044-164.714 143.278 -19.582 131.374-152.092 150.261-114.100 142.211-135.815 161.641 148.037 94.102 71.536 133.198-137.705 94.579 61.657 0.000 0.000 93.013 59.730 138.259 -84.759 93.147 75.592 141.888 -74.598 94.047 81.713 127.327-108.609 93.971 83.751 117.338-126.278 96.742 131.306 0.000 0.000 120.124 0.000 120.579-142.088 # 60 total E -2.52537E+01 rmsd from N 0.000 %NC 0.00 1 92.958 130.132 127.956 36.379 133.476-175.246 0.000 0.000 110.167 2.894 144.213-145.221 93.873-164.671 116.475 -76.774 94.192 60.463 123.917-142.132 91.876 86.361 131.789-117.932 123.740-176.934 148.073 -30.950 93.894 62.810 0.000 0.000 92.680 68.331 129.429 -64.867 90.955 75.293 107.837 -59.491 90.656 70.286 123.279-110.501 94.212 106.099 99.789 -87.598 127.340-171.166 142.087-146.100 94.540 55.104 0.000 0.000 91.986 68.338 138.972 -87.002 92.649 89.697 141.613 -73.877 93.790 76.654 141.008 -74.537 100.753-179.273 111.133-121.445 154.399 -31.085 0.000 0.000 115.353 0.000 134.830-147.248 # 61 total E -2.87856E+01 rmsd from N 0.000 %NC 0.00 1 93.062 132.669 107.083 37.927 121.870-174.941 0.000 0.000 142.842-143.764 146.252 -29.414 136.864-145.856 161.336 -99.285 132.488-164.131 137.708 -59.979 103.376 -87.611 126.425-150.103 93.022 4.246 143.999-144.720 96.983 71.289 0.000 0.000 127.112-144.727 164.804 -32.520 130.222-154.868 141.350-141.899 130.365-162.665 169.851 -51.489 109.696 -91.410 140.439-163.104 91.682 10.416 128.634-166.152 96.980 65.101 0.000 0.000 136.699-145.111 160.368-120.578 129.296-168.624 140.398 -89.316 142.142-143.198 153.505-102.504 131.548 -36.973 150.714-177.963 97.550 22.718 0.000 0.000 115.540 0.000 141.105-172.606 # 62 total E -2.57994E+01 rmsd from N 0.000 %NC 0.00 1 93.109 130.106 110.335 20.274 110.660 179.235 0.000 0.000 138.999-149.727 104.582 -52.036 130.145-144.490 164.053 -85.910 136.888-159.006 150.962 -70.849 93.181 -88.697 126.236-143.403 92.705 7.606 144.116-144.663 97.056 70.861 0.000 0.000 122.553-142.973 131.655 57.917 135.719-165.008 142.685 -20.965 132.180-150.468 150.418-112.288 141.837-127.798 160.331 147.121 119.264 175.803 140.484-140.237 95.021 56.849 0.000 0.000 92.274 66.856 136.192 -80.205 92.922 79.180 140.243 -74.695 95.178 81.216 125.201-111.704 122.193-179.296 151.835-101.766 125.068-178.399 0.000 0.000 120.408 0.000 130.721-161.940 # 63 total E -2.50025E+01 rmsd from N 0.000 %NC 0.00 1 93.074 120.396 135.968 103.130 95.094 59.632 0.000 0.000 92.072 51.056 88.411 -58.629 89.891 66.240 118.145 -77.255 91.570 62.975 140.560 -74.730 91.473 65.813 131.301-144.119 105.547-171.116 117.986-135.313 95.945 44.227 0.000 0.000 92.672 60.854 129.679 -68.212 91.188 70.420 124.763 -42.046 89.085 75.288 129.530-126.611 90.382 74.530 101.892 -90.019 111.593-156.540 104.090 -89.191 113.382 2.269 0.000 0.000 94.533 110.193 138.801 -90.566 95.547 60.323 141.713 -74.575 130.733 176.951 135.480 -62.756 119.390 -51.928 141.707 168.209 123.825-148.465 0.000 0.000 119.728 0.000 131.541-160.458 # 64 total E -2.75418E+01 rmsd from N 0.000 %NC 0.00 0 92.951 133.356 113.951 81.737 132.137-179.949 0.000 0.000 124.863-134.484 144.885 165.360 131.091-133.156 160.690 -30.074 136.726-162.485 125.528 -62.515 92.990 -89.803 125.353-139.076 92.882 8.717 144.998-161.294 97.183 68.964 0.000 0.000 126.191-135.532 133.447 52.360 129.762-162.452 131.513 -36.115 129.329-142.184 145.040-110.995 140.405-116.211 161.605-167.699 122.333 -68.445 132.036-163.538 107.786 -11.355 0.000 0.000 93.006 107.231 136.594 -72.526 94.794 90.455 139.347 -72.652 94.789 86.800 141.200 -75.459 94.190 56.191 109.378-116.444 132.271-178.326 0.000 0.000 120.345 0.000 128.406 148.793 # 65 total E -2.49379E+01 rmsd from N 0.000 %NC 0.00 1 93.117 92.565 115.760 -22.976 151.701 -71.554 0.000 0.000 125.013-142.677 95.437 -51.768 124.092-140.898 154.097-121.476 137.162-159.632 136.481 -50.664 93.120 -88.178 126.012-144.067 92.941 7.324 144.885-150.730 97.182 70.341 0.000 0.000 123.923-139.143 133.909 55.459 134.766-165.744 139.106 -25.450 128.345-145.935 148.113-112.526 145.292-120.785 168.283 161.742 111.170 -54.096 103.618 -93.176 105.220 -62.601 0.000 0.000 92.247 113.814 134.926 -72.311 95.134 64.327 140.879 -74.814 95.416 98.391 143.790 -76.957 122.051 174.284 149.174-138.051 137.704 -81.430 0.000 0.000 117.111 0.000 134.361-161.848 # 66 total E -2.50999E+01 rmsd from N 0.000 %NC 0.00 0 93.112 122.444 116.234 -16.042 145.221 -15.277 0.000 0.000 132.817-140.096 98.899 -51.398 125.330-138.645 150.945-116.966 137.139-160.172 138.284 -49.685 93.084 -89.103 126.276-142.742 92.763 8.216 144.764-151.428 97.073 70.861 0.000 0.000 122.884-141.706 131.573 53.950 130.926-167.959 135.674 -34.245 133.739-137.950 147.767-105.704 137.217-109.593 155.388 139.093 122.806-106.804 132.907-159.435 96.511 39.147 0.000 0.000 92.025 70.127 145.950-128.119 91.893 75.463 138.923 -73.799 93.902 78.807 122.393-113.841 100.751 176.289 117.908-119.403 137.268 -72.587 0.000 0.000 117.038 0.000 133.899-162.127 # 67 total E -2.46658E+01 rmsd from N 0.000 %NC 0.00 1 93.078 131.812 110.078 33.043 111.643 173.545 0.000 0.000 145.730 177.941 107.981 -55.164 95.715 -6.993 117.212 -77.743 115.939-176.482 169.311 -54.880 93.984 0.838 140.186 156.152 122.312-120.280 114.477 -83.653 94.690 57.701 0.000 0.000 92.304 67.951 114.203 -46.270 91.393 99.928 110.992 -64.457 89.756 68.918 120.894-111.782 92.592 96.982 100.166 -90.814 124.388-174.091 103.121 -92.090 96.950 56.082 0.000 0.000 95.278 59.151 140.087-113.426 96.684 110.512 143.101 -72.953 134.759-172.160 142.565-103.360 134.895-173.858 143.536-111.637 118.079-158.300 0.000 0.000 120.590 0.000 125.563-159.462 # 68 total E -2.60804E+01 rmsd from N 0.000 %NC 0.00 0 93.140 131.005 108.144 24.091 112.138 172.318 0.000 0.000 132.300-142.261 98.780 -51.425 125.125-140.392 151.861-119.210 137.104-159.542 138.358 -50.118 93.030 -88.573 126.317-143.780 92.846 7.723 144.831-151.599 97.126 70.732 0.000 0.000 123.264-140.558 132.571 54.854 133.028-168.028 138.440 -29.407 133.064-137.699 148.307-106.973 137.756-109.091 155.271 137.202 124.429-108.206 137.301-160.333 95.834 39.251 0.000 0.000 92.146 72.731 139.358 -90.334 92.995 76.887 140.342 -74.748 94.577 88.879 141.624 -74.792 124.707 179.880 150.607-106.342 124.658-178.609 0.000 0.000 120.452 0.000 130.226-161.725 # 69 total E -2.49422E+01 rmsd from N 0.000 %NC 0.00 1 116.298 175.041 124.993 -15.405 131.859 -76.419 0.000 0.000 131.988-174.743 99.132 -55.038 96.565 -7.691 116.933 -77.516 118.116 174.064 170.916 -70.459 93.964 -4.725 143.187-150.502 117.574-115.255 113.142 -82.173 94.518 47.260 0.000 0.000 92.730 66.353 131.783 -65.751 92.139 100.417 115.756 -36.908 93.554 68.289 124.770-108.156 94.526 112.106 139.938-141.839 140.177-168.030 105.737 -77.166 111.858 9.674 0.000 0.000 95.110 108.793 138.688 -92.614 94.507 63.833 140.322 -71.620 94.545 104.076 143.428 -73.528 94.108 81.232 123.370-103.053 97.421 96.225 0.000 0.000 116.197 0.000 140.466-108.844 # 70 total E -2.77310E+01 rmsd from N 0.000 %NC 0.00 1 92.941 132.763 116.646 87.062 129.625-179.083 0.000 0.000 124.357-133.699 142.729 165.789 130.912-135.282 158.470 -22.641 137.379-161.929 126.883 -63.285 92.930 -89.624 125.747-141.421 92.972 8.687 144.923-162.762 97.213 68.589 0.000 0.000 126.081-135.735 134.724 53.122 132.001-163.006 134.622 -31.773 129.717-143.193 146.163-110.589 139.474-116.552 160.197-168.661 121.791 -68.111 131.718-163.036 108.167 -11.625 0.000 0.000 92.880 108.498 137.085 -75.831 94.454 82.671 139.658 -72.933 93.406 91.987 141.836 -74.886 92.965 90.253 111.882-109.347 96.779 85.820 0.000 0.000 119.255 0.000 125.742-159.539 # 71 total E -2.53089E+01 rmsd from N 0.000 %NC 0.00 1 93.111 131.079 108.581 24.963 113.096 173.348 0.000 0.000 136.426-119.275 100.230 -54.599 123.892-116.265 122.060 -82.269 123.771-161.398 140.717 -74.876 94.420 3.046 130.451-129.043 127.113-114.023 110.346 -83.329 93.612 49.958 0.000 0.000 91.467 66.578 130.468 -65.060 91.449 97.289 112.367 -36.252 92.167 68.462 126.725-110.498 93.906 115.407 105.626 -86.321 142.986-168.339 103.879 -85.267 109.991 12.713 0.000 0.000 94.175 96.174 138.234 -82.432 93.861 68.528 140.840 -73.202 94.774 102.027 141.578 -74.466 93.860 77.407 122.886-111.477 97.124 89.579 0.000 0.000 116.966 0.000 140.083-135.494 # 72 total E -2.51434E+01 rmsd from N 0.000 %NC 0.00 0 93.109 130.752 108.102 22.476 112.893 176.306 0.000 0.000 135.129-137.858 103.760 -49.621 130.193-149.704 159.618 -94.743 129.540-157.781 146.474 -58.219 93.453 -89.276 124.981-153.565 92.810 8.516 144.203-147.184 97.878 66.672 0.000 0.000 126.156-136.314 158.496 -26.888 135.463-161.245 118.882-139.919 129.258-161.037 170.389 -58.136 113.906 -90.239 142.155-169.418 92.116 8.935 130.731-149.561 97.029 68.003 0.000 0.000 138.432-148.152 160.694-121.396 127.413-165.781 138.927 -89.554 154.904 178.054 165.848 -82.277 95.275 73.966 124.601-148.028 100.839 85.506 0.000 0.000 115.580 0.000 145.820-102.745 # 73 total E -2.69249E+01 rmsd from N 0.000 %NC 0.00 1 93.101 130.763 110.524 23.647 114.718 173.651 0.000 0.000 143.546-161.132 108.903 -52.907 128.969-149.096 127.178 -81.945 127.950-137.803 170.258 -83.731 141.293-170.385 159.706-175.217 117.115 -84.810 135.490-125.584 92.157 0.764 0.000 0.000 94.757 78.603 124.406 -66.059 132.921-153.906 149.209 153.257 126.756-163.325 158.891 -0.457 132.872-138.319 159.921 -9.279 152.212 -67.219 116.257 -86.295 96.250 70.025 0.000 0.000 91.774 65.548 137.308 -77.393 93.081 83.481 140.425 -72.352 94.338 72.391 128.099-114.154 93.712 62.343 110.448-120.525 98.145 89.787 0.000 0.000 118.728 0.000 131.750-160.239 # 74 total E -2.72012E+01 rmsd from N 0.000 %NC 0.00 1 93.119 131.918 108.532 23.272 132.110 -96.787 0.000 0.000 127.513-139.550 100.558 -48.318 129.825-146.351 156.608-106.541 134.215-159.544 144.003 -53.670 92.854 -88.139 120.153-148.731 93.211 6.089 144.592-152.018 97.699 69.630 0.000 0.000 122.264-139.975 160.188 -35.846 137.363-160.450 150.208 160.289 129.170-159.438 169.976 -66.060 108.110 -92.280 138.407 164.143 91.413 10.642 125.939-162.179 96.923 65.133 0.000 0.000 136.688-143.817 163.974-133.060 130.843-158.831 139.617 -88.419 138.628-173.722 143.578-108.942 134.548-174.557 156.872-136.693 124.432 177.342 0.000 0.000 120.537 0.000 130.484-164.056 # 75 total E -2.46321E+01 rmsd from N 0.000 %NC 0.00 1 93.028 131.045 115.280 37.540 114.869 -42.754 0.000 0.000 94.961 149.167 113.501 56.229 94.630 21.034 117.367 -75.560 113.002-129.644 140.615 -84.031 117.853 56.956 149.857 176.722 111.869-146.663 150.747 -12.783 95.231 55.547 0.000 0.000 91.752 60.743 136.027 -89.654 91.097 74.146 97.060 -75.551 90.486 74.287 131.827-124.101 93.280 101.360 99.680 -85.871 126.398-140.930 139.076-142.760 94.540 52.425 0.000 0.000 91.740 65.181 136.933 -76.805 92.189 79.717 141.309 -73.192 93.161 78.780 127.011-111.275 97.566 177.129 115.793-119.741 144.248 -25.986 0.000 0.000 116.170 0.000 127.998-149.869 # 76 total E -2.61364E+01 rmsd from N 0.000 %NC 0.00 0 93.144 130.192 111.544 14.081 111.997 160.684 0.000 0.000 136.676-167.924 103.621 -48.882 121.320-151.904 151.068 -83.075 129.241-156.743 168.287 -47.243 134.419-164.546 152.853 154.455 120.347 -81.537 139.991-138.592 92.480 -1.640 0.000 0.000 94.851 77.190 124.770 -58.313 139.051-148.434 146.118 1.878 138.599-163.847 148.426 -84.284 134.210-161.437 150.363 -6.855 130.802 -71.323 154.657-158.990 92.880 -14.587 0.000 0.000 93.884 95.950 137.509 -90.444 128.505-173.219 165.632 -72.207 133.019-149.820 136.433 -68.576 127.284-168.793 148.455 -61.299 124.946-148.418 0.000 0.000 120.317 0.000 128.503-167.991 # 77 total E -2.50486E+01 rmsd from N 0.000 %NC 0.00 1 93.097 132.287 109.855 27.750 132.231 -86.582 0.000 0.000 127.948-123.085 97.281 -53.372 124.240-112.192 122.429 -82.268 124.777-162.136 140.923 -73.312 94.442 3.868 128.944-125.518 127.990-114.298 110.281 -83.388 93.744 50.297 0.000 0.000 91.486 66.075 130.151 -64.938 91.339 96.273 112.836 -36.768 92.021 68.353 126.509-109.269 93.820 114.578 105.317 -86.478 143.368-168.199 104.170 -85.689 109.883 10.896 0.000 0.000 94.391 99.784 138.167 -83.314 94.024 68.370 140.548 -72.725 94.963 104.421 141.933 -73.998 93.846 73.007 123.084-111.208 97.252 89.211 0.000 0.000 116.348 0.000 142.695-124.714 # 78 total E -2.64529E+01 rmsd from N 0.000 %NC 0.00 1 93.106 132.922 107.346 30.536 141.717 -89.825 0.000 0.000 129.116-148.314 100.194 -49.992 125.687-142.520 148.529-131.066 136.570-159.869 140.969 -52.179 92.912 -89.215 125.702-145.906 92.718 8.058 144.768-154.806 96.916 70.401 0.000 0.000 122.847-142.463 132.253 56.131 133.997-167.203 140.808 -26.107 131.202-136.128 148.846-104.279 125.711-128.064 149.362 149.013 94.559 63.023 122.058-153.362 94.462 46.052 0.000 0.000 93.530 59.952 138.733 -80.287 92.416 70.674 122.890-113.068 93.452 78.435 126.350-112.253 93.515 90.601 116.152-112.097 97.103 97.240 0.000 0.000 118.585 0.000 128.761-143.560 # 79 total E -2.57350E+01 rmsd from N 0.000 %NC 0.00 1 92.984 122.823 131.594 72.517 96.424 58.127 0.000 0.000 93.376 66.557 101.099 -56.531 88.660 67.824 115.693 -74.004 92.219 79.788 101.062 -81.596 92.475 31.782 128.684-130.235 107.680-161.634 152.179 -7.348 95.190 54.503 0.000 0.000 92.207 69.263 136.461 -88.736 91.829 68.846 91.426 -76.059 90.664 87.170 132.956-126.509 93.229 67.258 100.123 -86.654 113.889-126.916 104.908 -91.184 113.506 -11.845 0.000 0.000 94.151 97.381 138.979 -95.187 94.395 67.356 142.252 -74.574 95.433 97.456 143.010 -75.419 115.480 175.957 150.874 37.070 97.261 96.615 0.000 0.000 118.251 0.000 133.691-147.809 # 80 total E -2.53190E+01 rmsd from N 0.000 %NC 0.00 1 93.095 131.647 111.360 24.220 130.447 -79.156 0.000 0.000 122.192-171.138 102.199 -53.103 96.653 -6.084 119.345 -79.056 115.482 170.072 165.820 34.072 93.451 24.644 140.312 166.791 120.072-102.495 148.758 -26.175 111.676 -6.301 0.000 0.000 93.702 116.814 101.452 62.991 93.104 70.290 87.438 -71.509 91.540 96.821 139.438-117.695 93.781 68.243 101.244 -88.087 115.226-123.277 102.960 -92.431 113.212 -13.041 0.000 0.000 94.016 99.142 138.680 -87.046 94.091 64.578 142.464 -74.655 94.532 99.877 142.769 -75.215 94.072 85.551 124.033-105.096 97.114 107.049 0.000 0.000 116.872 0.000 137.497-115.071 # 81 total E -2.59738E+01 rmsd from N 0.000 %NC 0.00 1 92.984 133.161 107.509 63.399 96.434 56.065 0.000 0.000 92.360 50.382 144.633 -82.255 89.269 50.693 112.471 -78.243 94.851 67.834 139.247 -73.014 93.561 23.763 125.969-140.329 118.583-160.160 153.090 -3.445 93.393 50.932 0.000 0.000 91.409 66.066 136.413 -86.770 90.198 72.136 96.776 -69.307 89.014 75.862 131.048-132.307 90.966 67.690 100.113 -84.987 112.821-138.435 101.992 -92.079 111.899 -7.317 0.000 0.000 94.308 105.367 139.201 -90.334 94.644 68.505 142.071 -74.603 95.362 96.865 141.822 -73.963 123.798 173.084 151.698 160.835 96.887 117.819 0.000 0.000 119.412 0.000 127.714-145.611 # 82 total E -2.52785E+01 rmsd from N 0.000 %NC 0.00 1 93.018 130.709 116.786 39.305 114.049 -43.827 0.000 0.000 94.877 150.773 112.177 56.730 94.577 17.374 116.663 -76.094 113.314-125.796 136.784 -86.489 119.642 53.020 150.118 175.622 112.332-149.705 151.680 -10.777 95.000 55.024 0.000 0.000 91.623 61.722 136.263 -90.241 91.064 68.954 94.962 -74.454 90.733 86.759 128.372-123.754 93.649 67.760 100.819 -86.929 112.554-129.882 106.776 -90.684 113.871 -10.546 0.000 0.000 93.908 95.180 138.866 -86.287 93.993 63.779 141.938 -74.542 94.681 96.249 142.679 -76.945 94.064 86.963 123.833-104.895 97.213 107.274 0.000 0.000 117.110 0.000 136.602-119.239 # 83 total E -2.59107E+01 rmsd from N 0.000 %NC 0.00 1 93.094 134.853 95.809 50.020 130.609 -8.343 0.000 0.000 131.225-150.494 152.876-165.782 132.682-134.013 161.781 -76.843 135.175-162.850 125.507 -59.132 93.171 -90.238 124.588-135.727 92.541 8.928 145.068-156.587 96.904 70.304 0.000 0.000 125.019-138.458 130.496 53.054 127.064-163.728 126.384 -42.774 129.959-141.300 146.164-113.887 145.412-139.900 168.995 172.978 119.830 -46.593 124.646-156.247 119.887 -6.313 0.000 0.000 96.796 119.827 138.815-101.107 132.492 179.085 130.656 -81.753 130.054-100.630 125.721 -73.522 93.248 29.085 138.122 -78.873 126.166-166.988 0.000 0.000 120.772 0.000 129.146-175.158 # 84 total E -2.56499E+01 rmsd from N 0.000 %NC 0.00 1 93.063 129.367 118.679 13.542 131.646 -6.646 0.000 0.000 95.353 112.035 120.003-137.117 91.014 -3.842 114.548 -76.799 109.822-108.301 169.170 -53.843 110.901-179.124 136.793 123.500 136.550-115.071 143.144-175.476 93.259 51.991 0.000 0.000 91.386 64.317 131.490 -82.008 89.924 70.703 136.591-100.895 91.589 66.364 126.433-105.762 93.287 97.197 107.939 -84.976 122.823-172.810 139.376-142.543 94.580 53.379 0.000 0.000 92.469 65.063 135.689 -72.945 92.612 84.655 143.778 -73.195 93.580 77.729 125.908-108.281 98.297-177.469 109.498-115.084 146.531 -50.176 0.000 0.000 115.942 0.000 133.212-149.388 # 85 total E -2.45419E+01 rmsd from N 0.000 %NC 0.00 0 93.114 128.032 111.342 8.624 119.044 -17.096 0.000 0.000 150.876-170.244 111.346 -49.497 114.978-155.759 144.453-109.045 136.551-161.459 136.460 -46.833 127.196-175.702 146.646 168.695 126.082 -81.871 155.060-178.366 92.709 -1.535 0.000 0.000 94.740 83.452 129.216 -65.153 132.719-166.341 131.586 -31.120 119.076-170.444 131.374-113.082 141.899-159.204 151.648 13.160 132.793 -65.885 132.807 -89.066 98.162 -11.778 0.000 0.000 95.009 83.142 136.317 -90.530 144.712-162.036 167.926 -93.255 129.965-123.707 168.767 -62.185 135.695 -54.495 140.645-137.298 97.894 150.913 0.000 0.000 119.413 0.000 135.283-148.604 # 86 total E -2.47553E+01 rmsd from N 0.000 %NC 0.00 1 93.031 131.507 113.743 40.939 115.919 -46.416 0.000 0.000 94.990 151.542 112.461 56.349 94.580 16.436 117.186 -75.891 113.607-123.312 138.337 -81.514 119.566 53.279 148.933 174.756 112.401-146.889 150.654 -12.624 94.804 52.137 0.000 0.000 91.296 60.786 135.869 -89.100 90.287 70.989 97.642 -71.036 88.785 69.988 130.668-119.661 90.237 63.649 98.260 -84.333 104.097-174.748 98.687 -93.784 97.189 48.673 0.000 0.000 93.693 58.260 139.872 -91.587 93.651 67.379 142.413 -74.396 94.671 81.638 127.257-123.003 93.198 76.343 117.704-112.789 97.009 94.872 0.000 0.000 117.413 0.000 136.888-135.854 # 87 total E -3.09160E+01 rmsd from N 0.000 %NC 0.00 1 93.082 133.624 103.637 43.359 129.466 -10.218 0.000 0.000 143.043-147.133 149.277 -23.370 133.975-148.831 147.156-144.649 132.810-161.330 134.097 -52.863 93.497 -89.441 121.096-151.825 93.195 6.192 145.107-156.102 96.822 71.048 0.000 0.000 120.512-145.413 164.131 -34.969 133.659-155.231 144.230-151.732 130.238-162.858 168.452 -48.007 105.742 -91.924 137.521-167.150 92.002 11.167 123.552-162.155 96.897 65.689 0.000 0.000 133.576-146.050 158.953-117.359 129.872-167.741 140.368 -89.167 144.190-148.051 153.263 -98.243 127.193 -52.397 148.934-173.250 126.070-142.193 0.000 0.000 118.668 0.000 138.949-159.624 # 88 total E -2.51706E+01 rmsd from N 0.000 %NC 0.00 1 93.132 129.468 108.556 16.195 113.708 -22.371 0.000 0.000 94.690 120.700 122.111-140.240 92.105 3.637 118.162 -75.884 111.907-117.101 169.704 -55.545 139.489-162.526 141.001 100.909 132.033 -62.604 115.490 -83.499 114.963 -8.635 0.000 0.000 93.352 91.835 133.562 -81.681 91.853 73.100 123.888 -39.166 92.209 76.902 141.753 -75.008 92.860 68.626 101.426 -90.211 119.459-168.073 106.311 -89.051 108.032 -6.972 0.000 0.000 93.032 101.917 129.522 83.262 94.573 66.344 140.788 -74.798 95.471 113.691 141.733 -75.425 94.015 74.416 119.054-111.090 97.441 100.214 0.000 0.000 115.761 0.000 141.069 -92.954 # 89 total E -2.70843E+01 rmsd from N 0.000 %NC 0.00 1 93.119 131.032 107.693 24.628 114.085 -13.738 0.000 0.000 146.587-171.418 108.447 -50.460 121.013-152.480 124.368 -82.561 128.715-157.134 170.115 -72.655 139.203-164.028 156.116 137.057 115.946 -82.331 135.982-125.614 92.367 -1.164 0.000 0.000 95.027 77.875 125.453 -66.448 135.272-150.273 147.268 140.511 143.445-163.128 145.331 -73.476 130.557-163.256 150.754 -3.878 134.876 -71.811 154.236 172.605 93.913 -11.354 0.000 0.000 94.150 91.804 136.881 -91.086 136.856-170.745 143.592 -88.664 134.042-159.791 142.756 -89.391 131.283-170.965 155.906 -85.537 125.209-160.225 0.000 0.000 120.519 0.000 127.946-163.713 # 90 total E -2.69387E+01 rmsd from N 0.000 %NC 0.00 0 93.115 130.232 111.269 15.432 111.812 161.722 0.000 0.000 136.898-172.258 102.075 -48.194 115.470-153.530 124.951 -83.989 136.306-158.542 140.621 -60.895 126.197-177.683 146.094 169.684 126.619 -80.749 147.878 176.191 92.905 -2.473 0.000 0.000 94.538 85.151 128.915 -64.612 130.660-168.764 131.844 -33.001 114.022-170.987 131.225-111.155 145.765-154.687 147.496 19.390 138.651 -55.983 116.953 -83.338 118.953 -4.570 0.000 0.000 93.978 102.940 140.552 -88.690 93.856 68.388 141.356 -73.883 95.773 101.197 135.349-110.861 126.716 178.568 147.643-111.739 123.708-179.954 0.000 0.000 120.552 0.000 129.509-161.699 # 91 total E -2.73105E+01 rmsd from N 0.000 %NC 0.00 1 93.115 129.856 111.791 13.820 111.695 162.622 0.000 0.000 140.151-171.603 104.455 -49.406 118.151-158.391 124.978 -83.489 138.744-153.669 145.495 -62.948 127.383-173.444 146.802 166.533 126.094 -81.037 143.768-171.071 92.402 -3.046 0.000 0.000 94.222 84.559 127.032 -60.119 133.550-163.586 139.046 -24.909 117.300-165.530 135.552-101.688 141.675-158.052 154.369 16.017 139.181 -90.783 162.247 175.520 98.598 31.298 0.000 0.000 93.506 70.291 135.648 -69.058 93.599 87.266 141.715 -75.219 95.935 95.386 120.698-113.843 93.557 38.391 116.735-127.706 119.732-173.859 0.000 0.000 118.624 0.000 137.211 125.143 # 92 total E -2.48344E+01 rmsd from N 0.000 %NC 0.00 1 93.060 130.316 114.872 27.512 111.929 -29.515 0.000 0.000 113.066 165.806 113.114 52.031 95.398 -0.952 113.728 -76.935 112.341-111.943 134.639 -91.955 116.621 51.089 149.847 171.216 113.223-148.799 151.741 -9.819 95.198 53.927 0.000 0.000 91.857 61.060 136.312 -91.400 91.314 67.741 95.300 -73.469 90.963 87.353 129.622-119.436 94.179 66.765 100.564 -87.248 112.927-130.788 108.686 -90.331 114.212 -10.506 0.000 0.000 93.877 93.472 138.957 -85.949 93.943 63.417 141.808 -74.499 94.762 96.946 142.609 -77.334 94.050 86.464 123.653-105.462 97.179 108.156 0.000 0.000 117.088 0.000 136.652-118.506 # 93 total E -2.68287E+01 rmsd from N 0.000 %NC 0.00 1 93.106 132.895 107.435 30.386 141.643 -89.539 0.000 0.000 129.119-148.188 100.184 -50.000 125.677-142.503 148.544-131.041 136.518-159.875 140.911 -52.105 92.923 -89.203 125.713-145.891 92.722 8.050 144.770-154.745 96.916 70.409 0.000 0.000 122.863-142.451 132.251 56.125 133.939-167.226 140.766 -26.206 131.224-136.054 148.827-104.176 125.541-127.625 149.257 148.962 94.581 62.538 122.180-153.570 94.384 46.925 0.000 0.000 93.618 60.045 137.329 -81.771 92.953 79.416 122.901-113.820 94.841 78.872 128.405-107.627 119.830 179.932 152.407 -96.354 125.600-177.538 0.000 0.000 120.392 0.000 130.902-162.289 # 94 total E -2.63047E+01 rmsd from N 0.000 %NC 0.00 1 93.124 130.339 108.986 21.178 112.081-179.560 0.000 0.000 137.479-149.433 104.659 -52.672 131.694-144.982 166.090 -78.908 137.802-161.488 153.896 -78.288 102.254 -86.599 129.519-139.843 92.659 4.977 143.609-138.820 96.986 71.969 0.000 0.000 127.515-144.641 134.558 58.233 135.008-163.718 142.195 -22.220 131.896-151.687 149.469-114.198 142.020-135.483 161.119 148.092 94.122 71.049 133.653-137.352 94.496 63.626 0.000 0.000 93.134 57.945 136.583 -87.545 93.624 89.583 141.962 -74.523 95.257 77.807 130.669-104.317 122.811-178.327 153.058-101.014 125.517-178.646 0.000 0.000 120.386 0.000 131.081-162.448 # 95 total E -2.53361E+01 rmsd from N 0.000 %NC 0.00 1 93.072 129.514 118.300 14.331 132.410 -6.914 0.000 0.000 95.576 112.313 120.693-135.357 90.887 -4.252 114.471 -76.566 110.076-107.321 168.945 -60.916 110.367-178.745 136.588 115.576 136.552-114.409 142.800-176.866 93.421 51.605 0.000 0.000 91.373 63.936 131.573 -82.391 89.904 70.879 136.009-101.340 91.328 66.534 126.745-105.702 92.807 93.657 108.149 -84.801 120.257-173.498 137.292-140.441 94.724 53.476 0.000 0.000 92.688 65.995 136.284 -75.359 93.275 79.279 142.633 -72.013 95.432 79.810 124.167-110.184 94.097 47.133 108.364-114.239 129.828 1.283 0.000 0.000 111.509 0.000 127.086 -79.576 # 96 total E -2.49743E+01 rmsd from N 0.000 %NC 0.00 1 93.104 130.918 112.394 19.039 129.269 -64.084 0.000 0.000 128.668 176.973 101.709 -58.121 94.808 -0.189 116.227 -77.081 120.800 173.550 167.248 -74.320 94.100 -1.986 143.431-156.053 117.536-112.550 112.787 -82.282 95.009 45.363 0.000 0.000 92.785 63.586 135.023 -66.323 92.442 106.416 116.002 -34.580 93.644 64.744 121.986-105.407 92.418 79.308 106.886 -85.297 119.802 171.797 135.073-137.145 95.181 54.302 0.000 0.000 93.346 81.372 138.668 -79.484 93.224 72.099 140.942 -73.889 94.846 105.687 140.831 -73.034 93.852 70.061 123.652-122.220 97.197 98.081 0.000 0.000 115.811 0.000 141.337 -92.348 # 97 total E -2.51446E+01 rmsd from N 0.000 %NC 0.00 1 93.138 128.610 108.378 13.097 111.758 -19.315 0.000 0.000 95.129 116.601 123.732-139.494 91.541 2.772 117.880 -76.360 105.979-169.182 169.260 -55.011 146.399-111.593 150.087-110.434 115.344-106.297 114.210 -81.220 96.917 40.826 0.000 0.000 93.337 60.986 131.483 -70.138 91.254 71.116 127.571 -40.071 90.721 74.682 125.436-106.038 92.277 68.018 100.927 -91.337 114.569-168.847 106.147 -87.955 108.148 -6.497 0.000 0.000 92.948 103.714 129.289 81.334 94.688 66.185 140.717 -74.888 95.451 114.795 141.881 -75.074 94.024 73.703 119.367-111.607 97.478 99.254 0.000 0.000 115.753 0.000 140.582 -90.385 # 98 total E -2.72173E+01 rmsd from N 0.000 %NC 0.00 1 93.119 130.945 107.616 24.087 113.555 -12.608 0.000 0.000 147.279-171.399 107.431 -49.450 112.574-153.059 141.912-104.185 135.514-158.319 138.650 -52.051 127.823-177.962 146.447 169.244 126.633 -81.076 150.389 175.470 92.813 -2.258 0.000 0.000 94.556 84.771 128.964 -64.710 130.598-168.644 131.506 -33.155 114.992-170.851 131.223-111.160 144.525-151.630 149.350 17.208 139.457 -55.160 117.770 -83.887 117.562 -4.682 0.000 0.000 93.815 95.805 140.953 -95.615 93.892 67.909 141.449 -73.606 95.042 100.054 143.270 -76.595 127.428 178.688 146.885-114.509 123.204 179.445 0.000 0.000 120.565 0.000 129.161-160.880 # 99 total E -2.50084E+01 rmsd from N 0.000 %NC 0.00 1 93.135 129.444 108.486 16.304 113.152 -22.371 0.000 0.000 94.859 121.214 121.793-141.794 91.902 3.063 118.668 -75.668 112.103-116.977 169.668 -55.808 139.069-162.483 141.147 100.488 132.516 -63.230 115.417 -83.564 115.231 -8.440 0.000 0.000 93.300 90.734 133.687 -81.606 91.787 73.575 122.941 -38.497 92.103 76.339 141.831 -75.164 92.566 67.800 101.508 -90.022 116.896-169.385 105.612 -87.829 108.403 -7.478 0.000 0.000 93.222 101.319 136.433 124.724 94.331 68.379 141.073 -74.902 95.031 100.761 141.776 -75.626 126.346 175.863 152.542-109.589 124.471-177.806 0.000 0.000 120.499 0.000 129.653-161.168 # 100 total E -2.55243E+01 rmsd from N 0.000 %NC 0.00 1 92.990 128.443 140.536 -34.162 111.783 -8.748 0.000 0.000 93.017 104.457 97.181 -35.220 91.752 59.896 111.174 -77.493 93.206 83.773 146.460 -78.965 93.351 86.108 127.397-148.134 131.211-131.429 154.664-174.802 95.497 57.227 0.000 0.000 91.852 61.323 129.049 -76.480 91.577 91.212 130.604-121.971 90.901 69.797 129.944-105.445 91.989 93.835 104.989 -87.373 119.350-163.668 135.449-138.970 94.903 53.218 0.000 0.000 92.529 63.550 136.280 -75.543 92.879 83.554 142.756 -72.928 93.145 81.926 125.986-106.357 96.048-179.928 107.950-107.375 144.673 -55.869 0.000 0.000 117.583 0.000 124.477-161.248