jlee = 1 nbank = 200 nstep = 200 200604 0 300.09678 # 1 total E -7.69741E+01 rmsd from N 1.311 %NC 0.60 115.799 163.009 145.928 -16.397 91.513 87.285 136.979 -14.659 92.322 41.066 176.452 179.678 90.245 49.221 143.188 -99.481 89.822 43.956 116.690-132.662 90.799 52.523 125.175 29.688 90.463 35.922 140.325 -58.537 92.500 62.885 130.019-135.958 92.710 -56.307 135.155-109.776 126.151-156.506 180.000 180.000 123.913 -35.687 180.000 180.000 92.778 63.527 98.101 -88.976 93.591 80.102 133.938-112.527 130.399-104.329 117.205 -82.640 96.201 69.225 180.000 180.000 130.152-102.971 123.110 -48.471 119.141-110.494 116.744-121.160 116.915-113.499 142.587-156.935 118.471-121.288 115.490-117.637 121.932 0.000 122.178 -81.080 # 2 total E -7.61071E+01 rmsd from N 1.316 %NC 0.67 113.030 165.471 147.291-104.388 91.118 76.804 131.218 -0.394 91.590 44.626 176.421 178.557 89.654 49.337 141.161 -98.406 89.481 44.811 117.360-134.945 90.371 53.584 124.398 28.477 90.215 36.421 141.538 -56.247 92.310 62.972 129.494-135.910 92.499 -55.441 136.095-110.259 124.443-160.786 180.000 180.000 125.268 -36.744 180.000 180.000 92.576 62.164 97.532 -88.156 93.316 81.859 113.372 -77.535 128.954-107.210 115.925 -83.386 95.934 70.344 180.000 180.000 130.024-100.251 112.110 -97.550 119.616-112.347 116.298-121.595 116.975-113.095 142.818-157.541 118.650-121.330 113.152-114.129 122.040 0.000 122.259 -81.057 # 3 total E -7.79774E+01 rmsd from N 1.328 %NC 0.53 115.684 162.576 146.177 -17.418 91.614 87.356 138.136 -12.773 92.860 37.211 176.462-169.564 91.450 52.098 141.608 -97.981 90.665 37.909 116.666-132.710 91.753 52.165 131.147 50.927 90.900 36.191 130.881-175.666 92.429 63.106 134.479-133.092 92.202 -41.459 139.175-121.569 122.289-153.457 180.000 180.000 125.619 -36.079 180.000 180.000 92.802 58.311 97.553 -90.474 93.190 101.888 113.191 -76.967 138.255-106.190 120.537 -93.093 96.607 53.482 180.000 180.000 127.926-100.860 117.099 -42.589 115.512-108.568 122.857-131.235 115.970-110.032 150.297-170.508 118.284-122.169 117.532-123.969 122.268 0.000 122.421 -81.194 # 4 total E -7.46213E+01 rmsd from N 1.336 %NC 0.53 115.433 162.700 146.326 -19.529 91.607 88.197 137.787 -15.965 92.699 39.663 176.449-178.643 91.081 49.978 141.019 -97.881 90.421 37.849 116.066-131.518 91.454 54.393 125.637 30.261 90.742 34.342 141.856-178.646 92.776 64.466 131.497-132.850 92.605 -50.805 135.500-113.983 115.587-156.381 180.000 180.000 142.619 -41.906 180.000 180.000 92.120 53.763 130.474-156.561 91.938 52.168 113.100 -76.133 115.816 -73.761 107.100 -77.664 129.325 64.611 180.000 180.000 127.840-104.156 128.042-127.874 119.370-109.403 116.805-122.435 118.068-135.201 112.072-112.477 117.319-129.880 116.171-119.107 120.633 0.000 147.203-147.155 # 5 total E -7.79163E+01 rmsd from N 1.347 %NC 0.67 116.082 164.138 145.583 -15.436 91.453 84.962 137.007 -18.189 92.162 40.658 173.353 16.629 90.146 47.666 144.895 -94.611 89.621 44.379 115.187-129.824 90.076 55.285 132.846 33.044 90.417 34.761 148.043-158.217 92.551 60.733 127.283-133.759 92.750 -51.792 134.992-112.182 117.812-156.597 180.000 180.000 138.182 -35.530 180.000 180.000 92.061 55.549 104.294-109.058 92.378 77.773 112.688 -76.979 134.874 -82.273 119.882 -90.379 98.101 55.669 180.000 180.000 130.702-122.581 122.637 -37.173 117.342-110.501 118.036-123.715 116.760-129.148 144.342-161.048 117.943-127.880 112.611-113.733 120.826 0.000 146.763-142.684 # 6 total E -7.80306E+01 rmsd from N 1.359 %NC 0.60 116.084 165.074 146.106 -14.498 91.546 86.096 136.291 -20.358 92.624 43.749 176.444 172.522 90.822 45.705 140.524 -96.891 90.149 41.098 114.752-125.028 90.968 55.326 142.642 -19.883 90.333 40.372 141.514 173.414 91.442 67.921 103.292 -95.577 92.091 -52.706 133.424-120.337 112.903-157.131 180.000 180.000 140.674 -37.495 180.000 180.000 91.771 54.103 131.634-158.016 91.915 76.690 113.353 -75.535 127.094 -84.957 117.063 -83.226 97.299 71.394 180.000 180.000 135.649-119.932 110.178 -87.327 121.054-107.169 121.940-129.151 118.103-132.722 106.954-105.904 117.471-127.937 115.309-118.760 120.854 0.000 146.784-143.437 # 7 total E -8.06791E+01 rmsd from N 1.361 %NC 0.67 112.670 156.800 149.013 -38.935 91.893 85.105 132.827 -14.998 91.227 43.520 103.621 -87.317 90.355 46.605 151.869 -98.106 90.270 41.850 121.323-126.915 91.468 52.111 125.153 31.241 90.633 35.717 132.566-151.103 92.519 63.382 132.119-135.032 92.577 -56.060 135.754-109.915 125.884-160.533 180.000 180.000 125.166 -34.874 180.000 180.000 92.666 62.056 98.432 -89.386 93.314 78.583 134.064-113.226 130.453-108.052 114.586 -82.719 95.955 73.069 180.000 180.000 129.507 -98.581 114.910 -99.702 119.904-113.405 115.860-120.781 117.109-112.466 141.900-156.107 118.806-117.629 110.936-111.250 121.739 0.000 121.325 -80.945 # 8 total E -7.89294E+01 rmsd from N 1.362 %NC 0.73 115.883 164.086 145.749 -15.682 91.488 86.328 135.336 -14.504 92.671 37.943 176.449-178.426 91.201 52.748 142.074 -98.107 90.451 38.658 117.364-132.825 91.487 52.977 122.973 28.097 90.589 35.666 139.454-163.092 92.380 64.623 133.195-133.789 92.292 -52.457 136.536-110.647 124.696-160.268 180.000 180.000 124.666 -35.885 180.000 180.000 92.658 62.736 97.771 -87.925 93.307 78.032 112.825 -77.055 130.446-105.770 114.773 -82.469 95.938 71.635 180.000 180.000 130.045-100.939 114.829 -99.806 120.109-112.441 116.211-121.095 117.079-112.729 142.199-156.109 118.616-119.581 112.805-114.019 120.894 0.000 147.522-116.980 # 9 total E -7.89298E+01 rmsd from N 1.362 %NC 0.73 116.206 164.467 145.472 -14.215 91.466 85.905 135.121 -13.936 92.668 37.814 176.449-178.273 91.195 52.872 142.395 -98.504 90.413 38.874 117.374-132.879 91.449 53.003 123.164 28.159 90.598 35.649 139.020-162.363 92.388 64.543 133.007-134.195 92.299 -52.878 136.423-110.771 124.976-160.198 180.000 180.000 124.746 -35.639 180.000 180.000 92.628 62.650 97.630 -87.872 93.315 77.910 113.054 -77.017 130.112-106.112 114.564 -82.579 95.931 72.026 180.000 180.000 129.839-100.825 114.798 -99.768 120.089-112.540 116.196-121.163 117.044-112.688 142.000-155.878 118.529-119.551 112.879-114.037 120.821 0.000 147.480-117.822 # 10 total E -7.89284E+01 rmsd from N 1.364 %NC 0.73 115.859 163.875 145.950 -15.689 91.529 86.345 135.592 -14.489 92.647 37.771 176.448-173.827 91.220 52.752 142.215 -98.815 90.423 38.775 117.233-132.921 91.474 53.087 123.180 28.130 90.612 35.514 139.223-162.700 92.404 64.636 132.791-134.099 92.289 -52.696 136.471-110.582 124.817-160.434 180.000 180.000 124.680 -35.564 180.000 180.000 92.635 62.766 97.788 -88.088 93.300 77.882 112.812 -77.092 130.186-106.192 114.943 -82.331 95.972 72.006 180.000 180.000 129.790-100.753 114.774 -99.596 120.080-112.579 116.050-120.991 117.068-112.725 142.015-155.872 118.574-119.614 112.844-113.923 120.780 0.000 147.598-117.879 # 11 total E -7.90939E+01 rmsd from N 1.366 %NC 0.73 116.044 163.742 145.849 -15.785 91.538 86.336 135.388 -14.178 92.680 37.828 176.447-177.830 91.218 52.827 142.390 -98.693 90.412 38.824 117.533-132.760 91.444 53.060 123.315 28.197 90.578 35.627 139.181-162.626 92.363 64.394 132.911-134.235 92.218 -53.030 136.549-110.691 124.963-160.517 180.000 180.000 124.809 -35.660 180.000 180.000 92.636 62.589 97.638 -87.919 93.296 77.925 113.032 -77.052 130.285-106.358 114.619 -82.563 95.914 72.152 180.000 180.000 129.745-100.599 115.026 -99.662 120.057-112.704 116.082-121.106 117.103-112.728 141.877-155.537 118.555-120.789 112.490-113.489 121.897 0.000 122.022 -80.753 # 12 total E -7.85202E+01 rmsd from N 1.368 %NC 0.73 115.754 163.539 145.985 -17.655 91.556 86.750 135.597 -14.736 92.694 37.729 176.448-178.339 91.216 52.922 142.478 -98.485 90.427 38.766 117.488-132.984 91.458 53.169 123.169 28.025 90.588 35.510 139.113-162.611 92.393 64.638 132.883-134.145 92.285 -52.566 136.478-110.745 124.930-160.334 180.000 180.000 125.129 -35.890 180.000 180.000 92.713 62.141 98.155 -88.766 93.341 78.329 133.960-112.200 129.918-106.084 114.457 -82.398 95.940 71.812 180.000 180.000 129.864-100.917 114.948 -99.661 120.115-112.446 115.991-120.898 117.048-112.783 141.902-155.771 118.618-119.495 112.705-113.700 121.123 0.000 147.645-117.826 # 13 total E -7.85207E+01 rmsd from N 1.369 %NC 0.73 115.606 163.585 146.027 -17.533 91.562 86.650 135.724 -14.388 92.699 37.755 176.449-178.201 91.238 52.907 142.436 -98.632 90.434 38.744 117.502-132.930 91.461 53.189 123.141 28.044 90.616 35.442 139.191-162.594 92.387 64.698 132.872-134.003 92.246 -52.621 136.540-110.459 124.945-160.178 180.000 180.000 125.101 -36.003 180.000 180.000 92.700 62.232 98.105 -88.743 93.332 78.239 133.767-112.271 129.979-106.027 114.456 -82.290 95.954 71.772 180.000 180.000 129.810-100.990 114.805 -99.682 120.135-112.458 116.036-120.976 117.061-112.800 141.744-155.466 118.556-119.603 112.706-113.768 120.832 0.000 147.474-117.695 # 14 total E -7.68785E+01 rmsd from N 1.374 %NC 0.73 115.604 162.688 146.644 -18.401 91.578 85.243 143.128 -15.286 92.222 35.226 170.481 12.411 91.060 54.287 143.824 -93.387 90.343 39.017 118.257-134.061 90.912 51.963 126.078 29.907 90.710 35.028 138.177-171.606 92.439 65.406 135.218-133.806 91.814 -48.239 135.696-114.904 121.049-161.349 180.000 180.000 126.746 -36.423 180.000 180.000 92.501 60.202 97.387 -88.401 93.076 79.481 113.198 -76.950 129.592-102.947 112.595 -82.895 95.981 67.613 180.000 180.000 130.704-104.061 136.411 79.463 120.048-111.855 115.038-119.379 117.104-113.483 140.749-153.686 118.357-120.452 113.650-115.648 121.902 0.000 122.101 -81.105 # 15 total E -8.19544E+01 rmsd from N 1.377 %NC 0.53 93.698 61.207 110.331 -80.998 91.494 88.265 128.999 -16.964 91.382 45.005 97.668 -91.557 90.106 47.011 151.613 -97.418 90.180 41.893 121.953-127.556 91.550 51.881 125.515 30.353 90.785 34.911 132.304-152.650 92.710 64.119 131.921-134.723 92.741 -55.571 135.253-109.427 126.727-156.740 180.000 180.000 121.656 -32.841 180.000 180.000 92.654 65.379 97.736 -87.737 93.526 77.239 112.507 -77.032 129.311-104.824 117.226 -82.120 96.174 69.565 180.000 180.000 130.283-100.340 125.064 -51.471 119.461-111.549 115.259-119.148 117.371-114.292 139.549-151.600 118.545-118.113 113.947-115.413 121.829 0.000 121.349 -81.116 # 16 total E -7.12077E+01 rmsd from N 1.378 %NC 0.60 113.612 165.470 150.232-113.784 91.467 75.623 136.092 -22.896 90.545 46.463 136.650 -97.494 90.245 46.296 141.176-102.616 90.398 39.351 120.683-123.181 91.660 51.937 176.459 141.460 90.379 39.848 137.266-160.815 91.638 66.934 131.975-132.615 91.867 -39.026 136.262-117.641 118.687-152.047 180.000 180.000 122.980 -33.009 180.000 180.000 92.372 63.685 97.310 -90.583 93.374 96.243 113.219 -77.362 120.958-107.096 119.542 -85.465 96.018 55.186 180.000 180.000 130.950 -93.707 149.933 -29.957 118.590-112.419 115.286-120.083 117.136-113.165 144.287-159.868 118.598-117.939 113.502-115.003 120.972 0.000 147.296-111.235 # 17 total E -7.95253E+01 rmsd from N 1.381 %NC 0.67 116.843 178.926 113.381 -79.711 91.697 84.588 142.163 -15.947 92.436 35.149 169.994 11.872 91.325 53.113 143.196 -91.990 90.501 38.616 117.921-131.453 91.249 52.254 122.183 27.801 90.807 34.889 141.596-172.604 92.578 65.629 134.814-133.466 92.286 -50.260 135.586-112.686 123.660-157.587 180.000 180.000 122.597 -35.093 180.000 180.000 92.629 65.281 97.959 -88.203 93.594 76.032 112.572 -76.963 128.287-101.176 116.838 -81.697 96.203 67.291 180.000 180.000 130.590-104.038 125.062 -47.912 119.516-110.262 115.360-118.885 117.183-113.162 137.417-147.751 118.339-119.585 114.780-116.620 120.936 0.000 147.925-118.037 # 18 total E -7.70245E+01 rmsd from N 1.382 %NC 0.60 116.648 177.708 113.143 -79.718 91.711 84.965 141.062 -14.349 92.077 35.595 170.897 13.054 91.200 52.934 142.580 -92.578 90.480 38.548 119.167-133.051 91.157 51.558 125.979 22.197 90.682 35.371 140.915-173.351 92.366 64.703 135.490-133.782 91.866 -55.637 134.889-108.135 125.497-162.643 180.000 180.000 120.387 -34.728 180.000 180.000 92.506 64.649 131.348-154.911 93.578 61.053 112.230 -76.277 128.497 -94.915 143.787 -46.852 96.914 75.987 180.000 180.000 132.218-110.181 119.304-105.676 121.403-110.012 120.203-126.265 118.566-118.472 109.452-109.442 117.951-120.750 118.597-122.605 122.033 0.000 122.084 -80.936 # 19 total E -7.96980E+01 rmsd from N 1.386 %NC 0.73 115.557 163.200 146.720 -17.207 91.557 84.403 141.840 -16.096 92.594 34.711 169.988 12.112 91.325 53.396 143.694 -92.831 90.481 38.676 117.484-131.372 91.177 52.363 121.918 27.818 90.782 34.983 141.585-171.421 92.537 65.796 134.819-133.693 92.282 -50.242 135.899-112.603 123.661-157.524 180.000 180.000 122.922 -35.463 180.000 180.000 92.606 65.059 97.820 -88.143 93.548 75.909 112.725 -77.120 128.602-101.230 116.536 -81.527 96.205 67.547 180.000 180.000 130.465-104.299 125.661 -47.424 119.578-110.502 115.465-118.906 117.154-113.217 137.492-147.917 118.349-119.919 114.739-116.525 120.893 0.000 147.547-117.923 # 20 total E -7.89174E+01 rmsd from N 1.389 %NC 0.73 116.606 177.830 113.463 -79.797 91.696 84.513 141.277 -16.489 92.250 35.609 170.829 12.677 91.260 53.278 142.958 -91.946 90.435 38.745 118.262-131.884 91.045 52.835 121.104 26.904 90.590 35.544 142.329-171.420 92.411 65.436 134.588-133.814 92.156 -49.861 136.948-109.594 123.728-159.355 180.000 180.000 123.894 -36.455 180.000 180.000 92.602 63.625 97.915 -88.376 93.433 76.714 112.935 -77.124 128.726-103.232 114.828 -81.219 95.928 69.429 180.000 180.000 130.167-103.399 114.581 -98.909 120.149-111.596 115.321-119.775 117.259-114.534 138.875-150.092 118.420-120.164 113.734-114.728 120.830 0.000 147.680-116.500 # 21 total E -7.92531E+01 rmsd from N 1.391 %NC 0.73 115.738 163.707 146.600 -16.737 91.544 84.218 141.198 -16.339 92.444 35.038 170.700 12.955 91.312 53.557 143.685 -92.728 90.414 38.786 117.584-131.824 91.016 52.845 120.912 26.939 90.614 35.443 142.412-169.794 92.445 65.541 134.634-134.479 92.162 -49.550 136.915-109.771 123.809-159.185 180.000 180.000 124.215 -36.780 180.000 180.000 92.616 63.415 97.765 -87.981 93.438 76.777 112.811 -77.071 128.869-103.129 114.767 -81.200 95.946 69.679 180.000 180.000 130.252-103.571 114.967 -99.122 120.153-111.524 115.518-120.088 117.210-114.662 139.522-151.323 118.447-120.342 113.670-114.668 122.008 0.000 122.050 -81.027 # 22 total E -7.90881E+01 rmsd from N 1.394 %NC 0.73 115.790 163.674 146.483 -16.154 91.528 84.146 141.281 -16.485 92.435 35.015 170.521 12.622 91.273 53.629 143.687 -92.510 90.406 38.705 117.684-131.901 90.995 52.998 120.849 26.795 90.591 35.489 142.444-170.362 92.440 65.572 134.610-134.195 92.199 -49.465 137.134-109.094 123.805-159.246 180.000 180.000 124.266 -36.857 180.000 180.000 92.602 63.411 97.931 -88.468 93.493 76.760 112.889 -77.125 128.794-103.008 114.556 -81.448 95.957 69.356 180.000 180.000 130.190-103.643 114.503 -99.022 120.175-111.553 115.359-119.860 117.249-114.601 138.921-150.305 118.478-120.030 113.557-114.459 121.092 0.000 147.383-118.741 # 23 total E -7.84856E+01 rmsd from N 1.408 %NC 0.73 116.662 178.092 113.442 -79.881 91.700 84.603 141.630 -16.938 92.182 35.899 170.940 12.315 91.136 53.585 143.241 -91.946 90.350 38.998 118.313-132.513 90.886 53.298 120.730 27.936 90.378 35.391 141.569-171.512 92.137 66.733 134.006-135.788 92.339 -48.939 138.969 -47.521 121.538-161.002 180.000 180.000 127.248 -38.005 180.000 180.000 92.608 61.708 97.828 -88.624 93.228 76.821 113.100 -76.992 129.802-102.352 114.458 -83.495 96.263 69.721 180.000 180.000 130.224-104.850 113.167-106.971 120.071-112.144 115.909-120.762 117.252-113.606 140.581-153.122 118.470-119.764 112.495-113.484 120.830 0.000 147.315-119.394 # 24 total E -7.75096E+01 rmsd from N 1.422 %NC 0.80 115.742 163.467 146.530 -15.918 91.556 87.727 137.637 -14.408 92.420 38.403 176.447-177.125 91.029 53.031 141.052-102.780 90.489 38.597 119.364-133.594 91.231 58.607 122.106 24.543 89.652 38.156 139.497-171.591 91.347 67.002 63.426 -65.738 92.333 -54.025 140.926 -38.729 120.651-162.033 180.000 180.000 127.080 -36.449 180.000 180.000 92.595 61.077 97.790 -88.500 93.153 79.177 112.972 -77.016 131.041-106.717 114.600 -84.495 96.173 71.729 180.000 180.000 129.629-101.011 113.048-107.018 119.834-113.817 116.560-121.983 116.910-110.505 143.368-158.475 118.696-119.781 110.289-111.494 120.957 0.000 147.625-116.149 # 25 total E -7.84306E+01 rmsd from N 1.423 %NC 0.60 112.565 156.158 148.430 -40.143 91.893 85.851 133.504 -13.125 90.961 44.166 102.788 -86.153 90.196 46.145 151.679 -97.525 90.144 42.557 121.780-128.813 91.052 52.092 132.272 34.486 90.334 36.300 130.704-155.550 92.031 60.950 131.785-136.840 92.436 -62.242 138.690 -45.067 125.627-165.667 180.000 180.000 123.820 -41.688 180.000 180.000 92.471 62.504 98.969 -92.512 93.863 62.438 133.238-115.037 128.203-101.303 145.427 -44.771 96.822 83.727 180.000 180.000 129.773 -99.400 127.083-111.254 121.085-114.564 115.647-120.087 117.188-112.191 139.611-152.468 118.981-117.885 110.130-109.695 121.648 0.000 121.094 -81.020 # 26 total E -8.03822E+01 rmsd from N 1.448 %NC 0.60 118.177 175.839 141.622 -7.160 91.358 76.327 138.344 -88.508 90.449 72.044 158.088 37.171 87.573 51.346 137.415 -89.696 88.610 45.243 91.315 -71.399 89.769 49.890 161.362 35.359 90.445 43.675 146.929 163.809 91.838 67.977 133.414-134.081 91.467 -69.512 135.895-115.484 112.740 -52.711 180.000 180.000 116.386 -63.854 180.000 180.000 92.758 68.443 102.496-102.583 94.416 136.229 113.723 -77.084 94.371 -76.460 118.452 -76.946 94.422 59.939 180.000 180.000 129.510 -90.472 107.750 -93.163 118.858-109.460 119.639-126.288 118.373-115.254 117.550-119.010 118.674-117.939 113.823-115.208 121.918 0.000 121.255 -80.971 # 27 total E -7.56693E+01 rmsd from N 1.470 %NC 0.67 116.193 172.714 113.306 -79.707 91.757 92.047 137.402 -10.207 90.970 48.692 176.200 169.227 88.834 45.611 140.315 -94.600 89.268 46.634 121.111-139.893 89.124 53.026 125.550 -2.654 89.513 40.311 144.581 -49.577 91.112 66.143 128.655-136.976 90.746 -65.254 133.197-121.579 115.467-175.100 180.000 180.000 121.726 -23.827 180.000 180.000 90.547 67.746 100.775-101.347 90.426 32.682 110.144 -76.577 93.208-118.252 111.475 -73.317 96.050 156.012 180.000 180.000 125.240-109.205 154.742 -95.904 118.715-110.101 120.077-127.925 118.268-134.349 108.512-107.797 118.110-118.727 119.068-123.223 121.890 0.000 121.537 -80.956 # 28 total E -7.29719E+01 rmsd from N 1.497 %NC 0.33 116.531 168.342 145.684 -11.774 91.397 83.088 139.066 -26.672 91.899 45.852 176.423 176.802 89.441 48.042 140.091 -95.189 89.538 44.450 116.368-130.638 89.712 52.864 159.330 126.265 90.042 44.594 142.474 -45.743 91.657 68.512 131.527-137.889 91.393 -57.462 142.101-127.648 115.630 -71.921 180.000 180.000 121.292 -53.835 180.000 180.000 92.595 71.846 100.907-100.349 93.420 132.957 113.287 -77.090 93.802 -78.905 113.425 -81.069 94.641 49.017 180.000 180.000 131.193 -92.674 136.601-147.931 118.369-111.443 115.873-121.601 118.559-120.990 114.610-115.061 117.455-127.253 115.721-118.757 120.959 0.000 147.774-138.671 # 29 total E -7.96190E+01 rmsd from N 1.503 %NC 0.73 93.694 40.013 109.529 -81.756 91.486 87.853 129.389 -1.141 89.930 54.640 132.463 54.273 88.931 46.689 145.667 -97.390 89.156 44.734 126.847-142.909 89.732 55.310 125.757 18.790 90.183 35.355 142.531 -52.857 92.171 61.139 128.724-136.100 92.293 -49.280 132.942-109.881 118.316-155.945 180.000 180.000 131.193 -47.987 180.000 180.000 92.315 56.851 129.587-154.525 92.941 92.080 113.057 -76.476 127.033-105.711 115.816 -84.016 95.383 66.372 180.000 180.000 129.013-100.622 111.120 -91.779 120.005-111.095 117.791-123.393 117.651-113.254 113.883-115.675 118.419-118.265 114.771-117.371 120.794 0.000 145.674-121.955 # 30 total E -8.14547E+01 rmsd from N 1.517 %NC 0.53 112.975 164.083 148.013-110.658 91.183 76.482 129.448 -2.522 91.590 47.233 175.598 170.960 89.483 46.217 139.189 -95.900 89.440 44.438 116.650-132.028 90.133 49.747 146.582 3.630 90.221 43.323 134.240 176.714 91.754 73.182 132.774-133.124 91.179 -59.745 135.935-117.190 112.251 -62.336 180.000 180.000 118.578 -58.675 180.000 180.000 92.961 72.465 98.247 -96.541 94.663 132.575 113.671 -77.196 92.541 -73.581 122.737 -74.482 94.633 51.508 180.000 180.000 129.805-101.269 106.151 -53.281 116.440-110.862 124.255-133.112 119.080-116.938 111.276-109.371 117.558-124.943 116.090-120.372 120.918 0.000 147.996-132.019 # 31 total E -8.14540E+01 rmsd from N 1.519 %NC 0.53 112.962 164.168 147.883-109.838 91.200 76.657 129.544 -2.730 91.561 47.207 175.693 171.225 89.503 46.204 139.206 -95.781 89.436 44.394 116.706-132.018 90.139 49.772 146.456 3.174 90.217 43.236 134.280 176.438 91.770 73.160 132.871-133.286 91.175 -59.652 136.040-116.723 112.294 -62.436 180.000 180.000 118.693 -58.667 180.000 180.000 92.953 72.438 98.145 -96.399 94.659 132.724 113.711 -77.245 92.548 -73.563 122.858 -74.476 94.640 51.377 180.000 180.000 129.870-100.946 105.809 -53.545 116.428-110.848 124.277-133.152 119.090-116.898 111.357-109.443 117.515-125.067 116.076-120.343 120.992 0.000 148.094-132.304 # 32 total E -7.77483E+01 rmsd from N 1.522 %NC 0.53 116.063 165.615 146.237 -14.603 91.512 83.408 137.068 -22.028 92.604 37.649 172.303 14.634 91.273 49.554 142.562 -93.196 90.030 44.421 115.063-127.931 90.297 47.697 156.934 28.782 90.301 57.467 133.295-170.408 90.856 78.709 136.342-121.603 90.684 -69.113 136.973-111.227 121.737 -91.675 180.000 180.000 122.998 -51.408 180.000 180.000 92.700 63.007 96.834 -91.799 93.836 97.778 113.503 -77.222 121.470 -93.729 119.573 -85.145 95.577 54.611 180.000 180.000 127.583-111.423 84.581 -72.583 117.528-113.264 120.560-128.140 117.436-116.987 144.808-160.546 118.587-119.438 112.552-112.935 120.819 0.000 147.420-116.166 # 33 total E -7.85643E+01 rmsd from N 1.523 %NC 0.73 113.036 162.499 150.274-133.532 91.629 75.124 142.506-112.862 90.343 73.611 135.320 44.535 88.378 52.804 137.478 -97.616 89.924 41.825 80.232 -75.061 90.685 51.679 163.232 87.444 90.731 41.286 143.630 -44.031 92.212 70.751 113.747 112.742 90.559 -68.578 137.824-130.699 105.732 -66.962 180.000 180.000 99.304 -31.139 180.000 180.000 92.860 100.419 94.208 -88.356 94.603 112.610 115.018 -79.723 114.288 -97.413 124.574-161.431 95.257 58.098 180.000 180.000 126.246 -96.672 104.200 -91.969 118.435-110.427 118.678-125.171 118.060-115.729 120.035-121.355 118.566-118.321 115.260-117.556 121.863 0.000 121.446 -81.023 # 34 total E -7.68029E+01 rmsd from N 1.540 %NC 0.73 113.238 163.308 150.488-141.484 91.490 67.002 127.893 -78.459 91.488 53.020 176.450 174.820 89.821 47.340 141.913 -93.866 89.740 44.824 114.872-125.741 90.303 56.986 125.551-101.864 89.985 46.239 143.690-164.492 91.392 66.347 92.049 -70.873 91.094 -74.142 139.216-117.518 108.096 -55.914 180.000 180.000 111.922 -67.164 180.000 180.000 92.417 71.185 136.730-163.134 92.914 135.700 114.202 -76.743 93.927 -73.419 117.608-152.392 94.156 60.631 180.000 180.000 129.236 -96.756 88.357 -63.483 116.866-107.294 119.950-127.379 117.900-135.316 111.063-110.524 116.232-123.275 121.105-127.957 122.592 0.000 122.660 -81.878 # 35 total E -7.75287E+01 rmsd from N 1.541 %NC 0.67 112.844 163.319 147.277-110.618 91.442 75.889 130.183 -14.254 91.561 51.030 176.412 165.656 89.969 41.291 140.318 -91.789 89.854 45.287 112.032-123.618 90.001 56.388 126.489 -37.049 89.985 41.871 153.299-167.833 91.431 64.871 126.571-133.801 92.313 -54.217 136.402-121.974 113.077-163.007 180.000 180.000 143.173 -35.441 180.000 180.000 90.151 55.114 108.871-121.684 90.396 56.848 112.326 -76.682 93.682-111.407 108.994 -79.016 97.038 162.966 180.000 180.000 125.380-110.165 155.857 -91.273 121.197-110.832 115.435-120.358 118.267-139.003 111.007-111.743 116.869-118.853 128.993-136.553 120.757 0.000 148.543-108.611 # 36 total E -7.95574E+01 rmsd from N 1.550 %NC 0.80 116.199 165.192 145.007 -14.000 91.398 84.345 136.576 -20.333 91.619 45.955 170.797 24.439 89.909 43.634 143.012 -88.957 89.550 45.953 115.188-125.766 89.627 59.468 125.628 -20.492 90.208 38.205 155.661-167.790 91.890 64.923 103.553-105.262 92.725 -64.419 133.780-120.156 109.471-162.496 180.000 180.000 150.008 -38.013 180.000 180.000 91.686 50.248 128.876-155.524 91.345 72.261 112.915 -76.354 123.842 -79.387 117.625 -81.907 97.629 86.154 180.000 180.000 134.717-109.345 126.249 -91.107 122.636-106.558 121.321-127.052 117.975-134.505 109.542-110.303 118.386-118.558 118.730-122.233 121.766 0.000 121.480 -81.075 # 37 total E -7.88354E+01 rmsd from N 1.562 %NC 0.73 112.736 163.791 147.536-110.977 91.265 75.843 128.816 -4.135 91.617 51.047 175.170 156.491 89.856 42.119 140.887 -93.503 89.759 45.442 114.419-126.338 90.086 55.364 130.840 -20.259 90.648 41.006 149.579-167.257 92.847 58.909 127.664-134.198 93.811 -64.587 119.494 -84.759 112.695-161.721 180.000 180.000 152.050 -37.544 180.000 180.000 91.655 50.513 129.597-156.422 91.369 75.474 113.049 -76.280 123.784 -79.272 118.901 -82.709 97.506 85.053 180.000 180.000 134.511-105.175 121.207 -92.151 122.312-107.338 120.965-126.888 118.207-135.374 109.043-109.747 118.324-118.298 118.409-121.756 121.841 0.000 121.376 -80.932 # 38 total E -7.65619E+01 rmsd from N 1.563 %NC 0.60 115.270 163.596 110.331 -80.910 91.457 78.786 145.410-121.709 89.786 51.878 121.191 -41.443 89.178 51.356 146.962 -96.398 89.840 44.681 106.214 -52.432 90.540 50.274 141.790 52.353 90.305 43.167 146.764-106.841 91.508 53.850 134.699-137.573 92.164 -92.975 136.272-109.019 120.437 -76.853 180.000 180.000 128.744 -64.365 180.000 180.000 93.131 56.924 96.936 -86.060 93.531 95.775 113.969 -77.122 124.254 -88.961 118.920 -87.512 96.028 66.581 180.000 180.000 128.970-101.716 109.232-119.420 119.320-110.865 115.601-120.060 117.673-116.808 124.532-128.715 118.706-116.729 114.518-115.295 120.491 0.000 144.623-121.563 # 39 total E -7.93382E+01 rmsd from N 1.565 %NC 0.73 113.204 163.132 150.738-130.388 91.496 73.738 141.620 -89.942 89.949 66.263 132.856 45.329 88.425 48.631 145.021-101.722 89.525 44.727 93.053 -62.294 90.189 51.342 158.078 107.373 90.418 42.747 137.146 -52.185 92.339 64.180 132.465-137.370 91.553 -75.898 140.285-119.622 109.902 -54.715 180.000 180.000 109.646 -61.915 180.000 180.000 92.746 78.812 97.692 -89.556 94.360 126.331 113.484 -77.290 109.108 -82.248 119.968 -81.284 94.748 63.267 180.000 180.000 127.541 -81.801 111.890-117.111 118.111-109.035 120.482-128.025 118.712-114.639 117.725-118.277 118.645-116.873 114.335-117.618 120.487 0.000 145.069-121.317 # 40 total E -7.80132E+01 rmsd from N 1.570 %NC 0.60 114.142 165.358 153.113-128.577 91.194 68.855 147.427-121.030 89.461 52.060 119.913 -39.922 89.095 49.783 149.875-103.008 89.723 44.169 97.020 -50.489 90.843 49.067 153.062 103.021 90.828 43.168 143.563 -89.649 92.640 65.924 135.709-139.130 91.443 -75.002 142.128-121.743 108.721 -54.482 180.000 180.000 109.231 -63.435 180.000 180.000 92.658 76.963 100.254 -95.487 94.240 125.651 132.974-123.233 110.708 -82.003 119.200 -82.088 94.658 63.287 180.000 180.000 126.579 -83.661 111.855-119.548 118.573-109.229 119.939-127.023 118.533-115.421 118.559-119.525 118.617-117.837 114.510-117.003 120.783 0.000 145.433-119.485 # 41 total E -8.10889E+01 rmsd from N 1.577 %NC 0.60 113.342 165.163 148.991-112.158 91.224 73.746 126.480 -8.545 92.128 47.157 173.224 153.623 89.999 44.067 142.417 -97.631 89.920 47.452 112.966-126.262 90.341 54.587 148.054 39.308 89.987 41.358 142.546-147.361 91.993 66.088 126.860-132.364 91.701 -67.029 137.912-120.779 112.022 -65.363 180.000 180.000 120.550 -75.519 180.000 180.000 92.882 67.803 139.837-168.238 91.618 110.369 133.309 -99.567 93.184 -60.709 123.430-154.650 96.870 75.840 180.000 180.000 134.955-111.375 107.950 -50.743 118.210-106.733 122.500-129.775 118.316-136.550 108.538-107.695 117.924-118.666 119.853-124.935 121.785 0.000 121.520 -81.133 # 42 total E -7.89310E+01 rmsd from N 1.578 %NC 0.73 112.850 163.716 147.842-111.507 91.253 75.837 128.889 -3.087 91.599 51.120 175.222 156.078 89.892 42.174 140.939 -94.002 89.808 44.970 114.688-126.595 90.106 57.421 130.081 -19.446 90.255 38.585 150.619-170.027 92.073 63.406 126.775-133.424 92.820 -66.964 132.998-114.584 109.582-162.730 180.000 180.000 151.789 -37.786 180.000 180.000 91.720 49.519 129.619-156.317 91.424 72.498 112.980 -76.197 125.898 -77.884 118.500 -81.831 97.583 86.075 180.000 180.000 133.757-106.851 126.765 -91.522 122.263-107.382 120.864-126.814 118.163-135.746 108.970-109.558 118.202-118.524 119.238-122.986 121.838 0.000 121.454 -81.030 # 43 total E -7.95689E+01 rmsd from N 1.612 %NC 0.60 112.953 163.390 148.907-117.565 91.561 75.486 141.633 -26.232 90.980 51.311 176.428 173.583 88.615 46.424 139.535 -97.272 88.976 46.513 115.374-129.769 89.567 51.014 148.603 -0.150 90.091 42.551 142.712 -44.515 91.742 70.172 130.453-136.516 91.245 -62.278 134.650-116.456 114.199 -62.149 180.000 180.000 121.265 -53.932 180.000 180.000 92.844 69.709 99.414 -94.217 93.710 140.007 114.000 -77.519 93.553 -75.072 125.563-167.376 94.301 50.448 180.000 180.000 126.505 -94.141 96.764 -58.688 116.858-108.482 123.937-132.273 119.198-131.560 110.552-109.532 117.797-125.909 113.683-116.315 120.782 0.000 146.418-139.766 # 44 total E -7.99882E+01 rmsd from N 1.615 %NC 0.73 112.357 163.788 145.479-101.869 91.558 77.027 138.486 -20.046 91.148 47.105 171.355 20.090 89.743 43.705 140.572 -88.682 89.569 46.724 113.666-126.072 89.668 65.052 124.373 -35.885 89.997 37.251 153.709 175.807 91.708 63.199 85.648 -77.280 92.809 -65.374 137.470-120.668 111.852-167.454 180.000 180.000 145.360 -41.488 180.000 180.000 90.355 54.776 134.728-165.257 90.438 60.572 113.688 -75.834 92.362-102.560 109.735 -80.101 96.089 136.732 180.000 180.000 124.955-105.131 143.613 -82.251 120.235-111.741 117.591-123.191 117.768-137.196 111.476-112.577 118.063-118.624 122.494-126.060 120.745 0.000 147.049-116.532 # 45 total E -7.48334E+01 rmsd from N 1.634 %NC 0.53 113.558 163.941 151.669-132.135 91.348 69.838 144.069-122.777 90.081 53.591 122.600 -38.563 89.268 55.637 144.321 -94.260 89.384 44.958 119.190 -68.322 89.848 49.647 116.411-133.271 90.192 42.864 148.580-138.552 91.340 69.933 135.685-133.367 91.347 -39.592 135.825-109.279 119.391-153.140 180.000 180.000 124.273 -31.610 180.000 180.000 92.483 61.866 97.287 -89.526 93.264 83.258 112.803 -77.172 129.592-101.396 116.786 -83.467 95.948 67.195 180.000 180.000 130.398-107.416 96.424 -70.923 118.503-110.372 116.679-122.661 116.817-132.105 145.263-162.088 118.259-120.878 114.925-116.345 121.902 0.000 121.985 -80.930 # 46 total E -7.90107E+01 rmsd from N 1.634 %NC 0.53 116.747 167.454 145.293 -12.569 91.378 82.706 136.843 -23.549 92.610 40.519 172.337 16.240 90.786 46.660 140.304 -90.065 90.143 43.682 113.650-126.113 89.771 54.642 153.095 53.934 89.897 45.419 136.047 169.447 90.692 70.019 124.546 143.191 91.453 -54.811 141.221 -34.226 117.047 -70.105 180.000 180.000 122.602 -57.253 180.000 180.000 92.553 66.452 100.303 -96.286 92.872 131.292 113.581 -77.230 93.060 -78.275 122.414-149.903 93.968 58.808 180.000 180.000 128.558-100.514 96.839 -57.623 116.570-107.693 119.413-126.115 118.059-134.865 114.088-114.021 117.426-131.946 115.380-118.757 120.648 0.000 147.638-150.605 # 47 total E -8.08563E+01 rmsd from N 1.636 %NC 0.73 114.443 160.240 148.639 -24.588 91.735 85.933 135.905 -17.666 91.167 43.893 129.240 109.509 90.605 44.730 148.126 -95.132 90.355 42.375 121.044-125.977 91.311 50.780 143.765 6.637 91.054 37.399 138.924 -55.190 92.994 65.672 132.954-136.012 92.653 -75.885 131.933-113.162 107.213-159.787 180.000 180.000 144.651 -40.631 180.000 180.000 91.721 52.975 131.519-159.607 91.371 72.570 112.881 -76.216 125.754 -84.539 116.380 -82.732 97.281 89.976 180.000 180.000 132.534-103.244 123.952 -87.012 122.548-108.995 120.084-125.555 118.458-134.647 109.137-110.298 118.755-118.293 116.420-117.825 120.676 0.000 145.977-121.865 # 48 total E -8.19511E+01 rmsd from N 1.646 %NC 0.60 113.154 163.013 150.423-130.837 91.508 71.086 142.245 -36.901 90.835 51.473 169.267 17.889 88.772 47.562 139.004 -91.460 88.943 44.957 115.297-128.580 89.794 50.129 147.589 12.360 90.236 45.879 135.664 163.123 91.575 75.291 133.558-132.765 90.878 -58.098 134.996-129.595 108.737 -69.502 180.000 180.000 103.603 -31.972 180.000 180.000 92.464 96.643 100.304 -96.308 94.783 121.778 111.001 -79.399 94.413 -89.176 123.072-176.213 95.010 51.793 180.000 180.000 129.441 -91.103 95.515 -60.815 116.355-108.835 123.286-131.766 119.398-131.060 112.558-111.326 117.729-128.617 113.837-116.603 120.676 0.000 146.993-144.171 # 49 total E -8.32930E+01 rmsd from N 1.657 %NC 0.60 116.424 164.926 144.891 -13.156 91.320 86.541 132.332 -14.707 92.039 45.545 176.014 171.787 89.700 46.669 140.559 -95.838 89.504 44.143 116.417-131.836 90.068 49.578 149.009 3.622 90.350 42.143 133.532 178.446 91.853 71.531 133.023-133.053 91.207 -59.352 135.084-118.105 113.009 -62.256 180.000 180.000 120.831 -55.807 180.000 180.000 92.642 70.643 98.375 -98.100 93.438 137.577 113.782 -77.474 92.240 -73.410 124.859-165.811 94.139 46.274 180.000 180.000 128.398 -97.020 102.341 -55.217 116.234-110.759 124.359-133.270 119.210-115.985 110.693-108.646 117.718-123.761 115.346-119.449 120.836 0.000 147.769-129.314 # 50 total E -7.49839E+01 rmsd from N 1.659 %NC 0.67 116.019 164.392 146.337 -15.087 91.492 84.212 141.209 -21.726 92.351 39.532 170.130 13.197 90.833 48.061 145.621 -97.321 90.075 45.043 114.543-127.566 90.560 52.874 120.012 38.589 90.107 44.899 146.474-137.881 91.073 64.294 119.633 146.031 92.432 -87.446 148.316 -35.522 128.503 -81.820 180.000 180.000 110.460 -31.500 180.000 180.000 92.717 88.971 95.101 -83.850 94.997 87.581 108.838 -79.897 116.185 -96.718 141.750-177.285 95.747 54.663 180.000 180.000 132.035-100.387 146.134 71.353 118.993-109.904 114.253-118.935 116.713-131.436 142.503-156.643 119.184-118.569 113.946-114.140 120.831 0.000 147.997-112.364 # 51 total E -8.29288E+01 rmsd from N 1.664 %NC 0.60 116.068 164.568 145.003 -14.822 91.382 87.137 132.953 -15.124 92.090 45.225 176.222 172.777 89.778 46.794 140.664 -95.720 89.550 43.784 116.525-131.881 90.083 50.036 148.249 1.209 90.346 41.822 134.010 178.181 91.833 71.268 132.830-133.209 91.230 -58.667 134.880-118.266 113.515 -62.948 180.000 180.000 120.934 -55.915 180.000 180.000 92.679 70.323 98.549 -98.257 93.458 138.107 132.104-120.657 92.264 -73.206 122.520-167.120 94.109 45.948 180.000 180.000 128.499 -96.158 101.293 -55.998 116.234-110.578 124.197-133.148 119.191-116.201 110.756-108.708 117.724-124.118 115.289-119.403 120.956 0.000 147.962-130.178 # 52 total E -8.18579E+01 rmsd from N 1.665 %NC 0.60 115.985 172.823 114.113 -81.691 91.591 83.501 141.375 -32.349 90.968 47.941 124.995 117.848 89.980 45.716 147.743 -97.026 89.761 44.885 115.878 -27.749 90.609 48.636 176.462 170.483 90.470 47.319 140.762-139.160 92.095 73.499 135.453-133.468 90.418 -72.232 137.341-112.021 104.562 -55.945 180.000 180.000 110.458 -73.160 180.000 180.000 92.657 68.248 132.236-159.748 93.495 107.993 134.916-100.550 114.231 -60.518 123.725 -79.922 95.799 76.707 180.000 180.000 125.937-106.862 95.191 -93.702 120.592-109.213 120.306-126.715 117.630-136.203 108.318-108.951 118.036-118.431 121.343-126.265 120.863 0.000 146.884-117.571 # 53 total E -8.31548E+01 rmsd from N 1.669 %NC 0.60 116.003 171.076 113.168 -80.483 91.705 86.814 133.599 -15.336 91.992 44.791 175.937 173.961 89.765 46.914 140.234 -95.321 89.508 44.292 116.161-132.281 90.049 49.457 149.573 5.983 90.383 42.221 133.403 179.664 91.913 72.073 133.120-133.051 91.168 -59.464 135.401-117.831 112.413 -62.092 180.000 180.000 120.196 -55.537 180.000 180.000 92.647 71.626 98.916 -99.149 93.465 137.317 113.638 -77.488 92.207 -73.564 124.982-166.490 94.189 45.425 180.000 180.000 128.170 -96.705 102.316 -55.347 116.243-111.273 124.462-133.551 119.429-115.819 109.780-107.217 117.132-122.747 115.915-120.797 122.412 0.000 122.684 -81.385 # 54 total E -8.32909E+01 rmsd from N 1.671 %NC 0.60 115.942 163.831 145.310 -16.310 91.480 87.869 133.619 -16.259 92.093 45.065 176.230 172.755 89.815 46.641 140.731 -96.018 89.555 43.840 116.372-131.709 90.102 49.934 148.398 1.296 90.321 41.929 133.968 178.080 91.822 71.222 132.888-133.238 91.228 -58.806 134.924-118.051 113.418 -63.014 180.000 180.000 120.831 -55.578 180.000 180.000 92.647 70.659 98.389 -97.968 93.434 137.755 113.577 -77.588 92.184 -73.364 124.565-166.242 94.145 46.005 180.000 180.000 128.697 -96.008 101.400 -55.946 116.242-110.621 124.478-133.401 119.189-116.354 110.849-108.762 117.733-124.292 115.193-119.262 120.945 0.000 147.966-130.141 # 55 total E -8.29274E+01 rmsd from N 1.671 %NC 0.60 116.023 163.823 145.511 -16.046 91.457 87.661 133.443 -15.995 92.094 45.087 176.304 172.510 89.776 46.734 140.752 -95.906 89.547 43.909 116.513-131.796 90.072 49.900 148.564 1.708 90.329 41.890 133.870 178.362 91.840 71.284 132.830-133.048 91.233 -58.898 134.958-118.069 113.403 -62.657 180.000 180.000 120.970 -55.934 180.000 180.000 92.692 70.320 98.589 -98.235 93.472 137.908 132.280-121.182 92.233 -73.225 122.652-166.698 94.138 46.091 180.000 180.000 128.494 -96.412 101.735 -55.694 116.261-110.634 124.303-133.202 119.199-116.206 110.700-108.710 117.708-124.020 115.346-119.505 120.860 0.000 147.899-129.635 # 56 total E -8.29725E+01 rmsd from N 1.672 %NC 0.60 116.332 164.661 145.224 -14.174 91.411 86.756 132.633 -15.557 92.109 44.579 175.870 173.453 89.762 47.315 140.647 -96.372 89.499 43.977 116.451-132.015 90.063 49.724 149.542 4.610 90.351 41.931 133.404-179.860 91.927 71.841 133.079-133.068 91.214 -59.113 135.248-118.658 112.825 -61.918 180.000 180.000 120.361 -56.193 180.000 180.000 92.690 71.002 98.904 -99.267 93.507 137.939 131.879-121.840 92.174 -73.026 122.557-167.366 94.154 45.358 180.000 180.000 128.147 -96.778 102.447 -55.239 116.206-111.332 124.482-133.610 119.408-115.918 109.842-107.279 117.119-123.355 115.878-120.702 122.338 0.000 122.613 -81.397 # 57 total E -8.33338E+01 rmsd from N 1.678 %NC 0.60 116.014 163.936 145.574 -15.888 91.441 87.558 133.068 -16.379 92.173 44.478 175.876 173.440 89.827 47.240 140.671 -96.401 89.513 43.945 116.365-131.938 90.052 49.740 149.522 4.177 90.355 41.985 133.465 179.878 91.894 71.789 133.066-133.130 91.211 -59.219 135.227-117.989 112.704 -62.194 180.000 180.000 120.497 -55.781 180.000 180.000 92.633 71.255 98.703 -98.791 93.478 137.707 113.769 -77.524 92.163 -73.199 124.863-166.961 94.162 45.274 180.000 180.000 128.303 -96.405 102.239 -55.476 116.216-111.390 124.423-133.564 119.450-115.832 109.801-107.180 117.139-122.807 115.920-120.772 122.369 0.000 122.640 -81.525 # 58 total E -7.90287E+01 rmsd from N 1.682 %NC 0.60 114.161 165.296 153.319-129.242 91.181 68.421 146.375-112.294 89.842 51.522 119.502 -40.468 89.493 47.623 149.740-102.993 89.812 44.293 95.598 -50.050 91.191 49.612 154.949 105.477 90.958 45.101 142.732 -85.947 92.792 70.514 135.204-137.038 90.955 -73.063 136.235-136.469 101.343 -59.872 180.000 180.000 96.374 -37.534 180.000 180.000 92.591 105.741 104.421 -95.780 95.523 112.891 111.978 -78.057 113.908 -94.150 119.538 -76.697 95.023 69.838 180.000 180.000 129.697 -79.729 113.025 -91.336 118.580-106.618 119.606-126.750 118.517-131.336 116.396-117.163 119.142-117.995 113.893-115.151 121.937 0.000 121.478 -81.066 # 59 total E -7.57416E+01 rmsd from N 1.691 %NC 0.40 113.890 164.401 152.411-127.847 91.232 72.454 155.012-113.503 90.018 46.684 120.733 -38.462 89.858 46.095 140.121 -97.227 90.197 41.591 121.673-123.809 90.622 50.835 137.689 88.114 90.692 42.425 135.962-178.845 92.121 64.460 134.084-133.122 92.058 -50.019 143.573-146.579 120.100 -71.872 180.000 180.000 124.433 -54.499 180.000 180.000 92.562 64.886 100.370 -99.812 93.230 130.318 131.669-122.651 116.354 -87.737 127.591-147.502 95.112 59.984 180.000 180.000 127.140-105.791 104.852 -58.038 117.806-111.361 118.468-125.146 116.491-114.561 147.899-165.934 118.604-118.625 114.664-118.113 121.882 0.000 121.472 -81.075 # 60 total E -7.97880E+01 rmsd from N 1.691 %NC 0.67 116.613 171.688 146.373 -10.444 91.276 77.667 147.783-123.423 89.771 51.003 120.444 -40.788 89.141 51.388 152.559-101.830 89.732 43.570 98.092 -48.083 90.846 49.497 150.675 98.394 90.704 41.634 143.939 -95.192 92.427 65.547 136.159-142.114 91.637 -77.090 144.492 -33.077 110.041 -53.804 180.000 180.000 111.255 -64.320 180.000 180.000 92.687 72.790 102.061 -98.300 93.522 126.887 113.902 -77.548 115.823 -85.343 123.652-136.717 94.423 61.624 180.000 180.000 122.827 -83.557 118.118 -77.318 119.162-109.658 117.774-123.545 118.389-116.314 118.758-120.129 118.560-117.644 115.528-118.276 120.541 0.000 145.507-121.244 # 61 total E -7.80970E+01 rmsd from N 1.692 %NC 0.67 112.939 165.958 147.147-102.771 91.506 76.375 132.238 -17.987 92.313 41.149 176.433 178.782 91.390 47.063 138.966 -95.408 90.947 41.349 114.133-126.063 91.197 50.804 152.235 106.510 90.500 59.520 147.098-151.876 91.615 74.678 138.430-131.379 90.331 -64.429 142.219 -85.204 108.316 -71.563 180.000 180.000 115.019 -62.880 180.000 180.000 92.404 69.729 139.697-168.936 93.120 100.147 113.344 -76.253 121.708 -82.050 120.357 -82.783 95.423 78.910 180.000 180.000 130.039 -83.156 90.606 -78.482 118.579-108.142 120.436-127.930 119.900-138.374 109.431-108.354 118.482-119.926 119.203-123.129 120.930 0.000 147.829-118.371 # 62 total E -7.83819E+01 rmsd from N 1.694 %NC 0.60 117.659 175.531 143.366 -8.542 91.361 76.628 145.495-113.324 89.970 60.695 149.684 42.389 88.036 51.617 135.361 -85.421 88.824 45.444 120.040-126.818 89.376 51.355 122.118 -7.822 90.774 41.463 161.166-168.391 93.009 63.747 132.380-135.120 93.034 -59.648 118.930 -81.608 111.708-161.937 180.000 180.000 146.401 -41.991 180.000 180.000 92.040 51.711 127.994-153.931 91.744 76.828 133.419-104.719 125.395 -81.067 118.030 -83.275 97.171 83.456 180.000 180.000 133.475-103.222 118.625 -89.525 121.656-108.105 119.346-125.091 117.787-136.666 109.750-111.018 117.735-118.715 123.100-128.773 120.894 0.000 147.465-115.016 # 63 total E -8.22689E+01 rmsd from N 1.694 %NC 0.67 114.601 161.130 149.537 -22.907 91.729 85.873 134.824 -18.558 91.444 42.665 129.148 109.241 90.406 46.214 142.072 -91.006 89.983 42.939 120.494-127.876 90.823 49.835 143.307 6.578 91.113 38.528 141.232 165.963 92.781 65.231 133.180-132.376 92.866 -76.671 131.669-113.233 106.834-162.597 180.000 180.000 148.489 -38.550 180.000 180.000 91.752 50.854 129.725-156.888 91.549 72.525 112.753 -76.295 127.645 -82.035 117.685 -82.297 97.406 87.976 180.000 180.000 132.356-103.430 124.100 -86.999 122.392-108.842 119.927-125.314 118.232-135.231 110.254-111.735 118.823-118.474 116.432-117.392 121.723 0.000 121.353 -80.954 # 64 total E -7.90854E+01 rmsd from N 1.727 %NC 0.53 113.135 162.888 150.263-131.507 91.587 72.148 142.354 -36.572 91.122 56.361 176.439 171.814 88.515 45.439 140.273 -96.548 88.982 46.630 112.996-126.225 89.605 51.447 154.602 16.336 90.005 45.316 142.322 -44.278 91.665 73.135 130.449-135.921 90.433 -62.977 133.361-130.458 107.692 -69.537 180.000 180.000 101.084 -26.095 180.000 180.000 92.954 101.856 100.536 -91.455 95.314 117.552 114.245 -77.266 108.780 -93.233 138.812 -33.298 95.021 53.649 180.000 180.000 127.159 -95.911 93.997 -59.245 116.209-107.145 122.437-130.034 118.266-135.060 114.932-115.228 117.602-124.835 116.349-119.681 120.992 0.000 147.337-133.106 # 65 total E -8.39032E+01 rmsd from N 1.730 %NC 0.73 114.157 165.224 153.681-133.473 91.204 66.724 132.268 -77.255 90.264 53.802 119.503 112.484 89.215 46.387 148.797 -91.725 90.528 44.103 104.185 -56.469 90.512 51.564 151.051 58.346 90.209 44.309 138.451-146.300 91.719 68.581 134.381-139.014 91.075 -68.885 142.382 -36.650 109.338 -62.688 180.000 180.000 110.634 -68.834 180.000 180.000 92.570 66.377 131.546-157.472 93.787 128.280 113.578 -76.455 125.918 -86.415 119.536 -86.679 94.821 65.356 180.000 180.000 125.622 -85.731 109.871 -56.662 118.484-105.497 121.128-127.397 117.692-135.923 111.053-112.581 119.275-110.924 117.496-120.457 121.276 0.000 119.572 -81.048 # 66 total E -8.18853E+01 rmsd from N 1.733 %NC 0.53 114.457 161.898 148.983 -24.049 91.716 84.393 130.881 -20.602 92.323 40.517 136.741 106.391 90.749 47.416 144.802 -90.909 90.063 43.874 116.692-125.926 91.086 52.613 123.788 39.422 90.599 37.515 146.789-165.304 92.588 64.666 130.702-133.255 92.921 -60.769 138.140-119.401 119.591-161.091 180.000 180.000 123.203 -26.418 180.000 180.000 91.562 66.954 101.687-100.814 91.729 22.654 110.934 -76.809 97.066-101.185 116.410 -73.924 115.676-179.502 180.000 180.000 133.937 -77.712 98.268 -68.755 115.942-108.937 112.741-119.396 121.482-138.057 112.890-111.845 117.741-118.759 124.143-128.764 121.068 0.000 147.540-114.332 # 67 total E -8.09393E+01 rmsd from N 1.740 %NC 0.47 116.580 179.705 115.009 -81.692 91.602 86.035 129.271 -26.636 91.558 45.597 92.998 -84.477 90.756 44.109 148.060 -94.456 90.182 42.237 118.596-120.794 90.654 52.458 160.513 36.609 90.325 44.271 130.652-169.693 91.771 71.331 133.544-133.536 90.663 -62.080 135.432-127.105 107.371 -66.426 180.000 180.000 100.915 -27.568 180.000 180.000 92.647 101.596 99.734 -93.116 95.240 122.422 113.894 -77.455 91.613 -78.995 133.854 -3.069 94.391 28.220 180.000 180.000 133.106 -85.201 139.217 83.977 118.284-111.013 117.335-123.947 119.310-114.107 119.087-119.783 118.490-118.339 113.350-115.896 120.629 0.000 145.714-122.498 # 68 total E -7.51334E+01 rmsd from N 1.751 %NC 0.60 113.966 164.868 152.764-127.363 91.220 70.158 149.920-114.233 89.664 49.558 118.102 -37.753 89.728 48.830 146.398-100.268 89.772 44.070 125.213-120.061 90.840 49.834 161.683 109.995 90.612 43.201 145.110 -86.749 92.093 66.309 134.165-138.571 91.927 -68.094 139.988-114.700 114.757-163.616 180.000 180.000 125.390 -30.251 180.000 180.000 90.831 66.295 100.661 -99.811 91.056 29.648 111.422 -76.713 96.312-125.616 113.047 -70.422 96.322 163.801 180.000 180.000 127.947-100.971 119.349 -79.157 120.084-110.914 123.075-130.872 119.683-113.731 112.043-111.568 119.292-111.752 109.780-110.359 121.218 0.000 119.789 -80.662 # 69 total E -8.16305E+01 rmsd from N 1.766 %NC 0.53 116.502 167.031 144.868 -12.009 91.380 82.938 135.832 -22.643 92.162 42.214 172.611 18.447 90.286 46.189 141.217 -90.013 89.693 43.649 114.734-127.092 90.073 50.409 139.296 -12.788 90.443 44.874 140.935 173.673 92.058 66.962 134.617-133.393 91.969 -56.217 120.136 -83.209 119.270 -61.859 180.000 180.000 122.454 -59.073 180.000 180.000 93.203 65.827 96.520 -87.134 94.527 132.973 114.065 -76.999 93.685 -74.303 122.520 -74.859 94.779 57.330 180.000 180.000 129.236 -99.203 103.667-101.451 117.686-110.355 120.835-129.139 118.494-136.518 113.394-112.600 117.190-133.418 116.055-119.272 120.604 0.000 147.716-152.175 # 70 total E -7.79583E+01 rmsd from N 1.766 %NC 0.53 112.862 164.201 147.311-108.502 91.557 76.224 133.444 -20.569 92.037 44.817 176.398 174.563 90.083 46.025 137.152 -91.326 90.188 42.623 114.123-127.016 90.520 51.031 163.284 96.126 90.370 43.585 140.796 178.110 91.595 66.555 133.213-132.714 91.573 -55.549 139.503-121.011 118.259 -67.589 180.000 180.000 124.091 -47.478 180.000 180.000 92.343 68.334 103.648-104.482 92.349 145.405 113.639 -77.397 94.652 -71.334 118.156-160.969 94.294 26.371 180.000 180.000 125.399 -82.971 132.935-146.786 117.860-117.669 115.612-121.393 116.709-111.263 145.262-162.430 118.233-120.682 112.248-114.135 120.876 0.000 146.728-124.711 # 71 total E -8.12990E+01 rmsd from N 1.767 %NC 0.60 93.862 110.723 145.951 -12.292 91.618 82.201 136.070 -21.099 91.757 43.063 173.710 17.876 89.817 46.752 140.472 -91.580 89.448 44.607 115.006-129.356 89.922 49.213 151.198 0.761 90.410 42.421 134.802 174.283 91.893 71.520 133.699-132.820 91.239 -60.256 134.926-116.840 112.671 -61.755 180.000 180.000 119.991 -51.342 180.000 180.000 92.658 73.973 97.762 -96.689 93.379 134.040 113.384 -77.570 92.011 -73.866 126.042-166.663 94.338 46.315 180.000 180.000 132.123 -91.807 142.956 157.596 117.737-110.412 120.496-128.561 119.046-130.396 111.714-110.370 117.878-127.219 114.586-117.782 120.793 0.000 147.709-138.540 # 72 total E -7.83468E+01 rmsd from N 1.782 %NC 0.60 118.403 175.715 140.479 -7.197 91.106 77.795 149.737-123.143 91.772 43.139 176.461-175.735 90.259 52.727 138.760 -94.192 90.068 38.832 117.836-133.212 91.142 51.786 131.342 -10.014 91.140 36.619 145.635-168.557 93.005 68.597 134.396-133.582 92.207 -63.786 134.675-119.149 106.986-160.546 180.000 180.000 144.677 -36.510 180.000 180.000 92.069 52.783 129.743-156.442 91.786 71.532 112.894 -76.283 130.105 -82.299 116.943 -83.231 96.630 92.944 180.000 180.000 130.684 -81.750 130.268 -89.974 120.647-113.214 111.525-115.493 119.966-139.543 111.707-111.808 118.925-116.368 118.610-120.888 121.566 0.000 120.905 -80.735 # 73 total E -7.67574E+01 rmsd from N 1.786 %NC 0.80 115.524 166.025 149.305 -15.270 91.674 83.587 141.282 -29.636 89.858 57.906 134.158 50.159 88.404 45.684 143.816 -96.998 88.957 46.135 120.062-127.905 89.840 56.350 131.501 26.678 90.009 35.561 141.038 -51.551 92.162 60.620 130.369-135.836 92.154 -58.675 135.023-111.597 118.623-166.008 180.000 180.000 136.394 -56.419 180.000 180.000 91.650 55.238 108.151-121.360 93.072 65.279 112.801 -76.867 127.395 -93.988 144.363 -60.239 97.389 79.825 180.000 180.000 131.833-106.820 126.033-128.163 121.969-112.439 115.909-119.369 117.433-112.352 125.516-130.940 119.015-117.760 109.564-108.766 120.715 0.000 145.133-122.197 # 74 total E -8.22781E+01 rmsd from N 1.787 %NC 0.60 113.294 163.465 150.812-127.692 91.439 70.947 143.380 -37.121 91.201 47.724 168.539 13.724 89.294 49.357 138.709 -90.515 89.343 43.121 116.627-129.660 90.368 49.952 141.256 -5.797 90.495 42.320 139.826 171.137 91.802 71.251 134.538-133.011 91.605 -60.734 134.461-118.943 117.431 -53.532 180.000 180.000 125.354 -56.939 180.000 180.000 93.346 64.382 95.673 -88.732 94.257 142.201 114.751 -77.262 93.772 -73.018 127.669-173.280 94.342 50.190 180.000 180.000 124.710 -97.266 97.060 -58.105 116.387-108.010 122.809-130.872 118.673-134.564 111.322-110.292 117.261-119.401 117.089-121.134 121.980 0.000 121.753 -81.019 # 75 total E -8.02910E+01 rmsd from N 1.793 %NC 0.60 113.272 165.444 148.853-110.109 91.443 72.743 141.536 -26.908 90.891 49.060 169.101 20.931 89.525 44.668 146.479 -94.161 89.718 46.392 114.336 -34.849 89.897 52.646 157.117 107.708 90.197 42.562 150.088-126.674 92.230 65.366 129.990-137.542 91.951 -61.428 145.290-119.212 114.995 -62.067 180.000 180.000 120.274 -56.536 180.000 180.000 92.686 73.410 135.571-161.806 92.180 126.033 113.408 -76.686 93.516 -74.471 122.307-152.598 94.849 66.707 180.000 180.000 132.170 -98.790 98.936 -58.179 117.703-107.239 121.071-128.366 118.547-135.830 109.556-108.512 118.046-118.696 120.094-125.306 121.864 0.000 121.491 -80.979 # 76 total E -8.52530E+01 rmsd from N 1.799 %NC 0.67 113.744 159.588 149.737 -29.368 91.859 86.064 137.916 -20.755 91.243 47.047 126.789 102.606 90.694 41.994 147.527 -92.826 90.257 44.340 118.991-122.154 90.365 51.933 160.723 29.127 90.231 47.047 139.609 -51.105 91.925 73.296 133.501-137.262 90.399 -67.135 136.341-122.188 103.593 -64.436 180.000 180.000 98.758 -31.340 180.000 180.000 92.862 103.079 105.973 -92.997 95.188 125.766 113.406 -77.335 96.245 -87.085 115.846 -73.304 94.854 69.562 180.000 180.000 131.854 -77.212 107.693 -60.643 117.350-104.075 124.946-133.807 118.963-134.307 108.979-108.585 118.442-118.630 118.099-123.428 120.768 0.000 146.482-119.168 # 77 total E -8.48152E+01 rmsd from N 1.802 %NC 0.67 113.971 159.027 150.423 -26.544 91.893 85.673 137.778 -21.263 91.192 47.061 126.918 102.972 90.680 41.815 147.322 -93.096 90.300 44.328 118.733-121.923 90.330 52.323 160.707 29.045 90.228 47.039 139.754 -51.198 91.954 73.078 133.123-137.091 90.435 -66.472 136.216-121.972 103.483 -65.455 180.000 180.000 96.727 -29.262 180.000 180.000 92.659 105.576 107.124 -96.683 95.117 124.165 121.889-115.354 96.478 -88.338 115.589 -73.247 94.812 70.224 180.000 180.000 132.166 -76.743 107.876 -61.068 117.321-103.891 124.767-133.597 118.941-134.431 108.904-108.487 118.515-118.327 118.366-123.885 120.680 0.000 146.642-118.395 # 78 total E -8.52510E+01 rmsd from N 1.803 %NC 0.67 113.764 159.387 149.286 -29.134 91.867 86.468 137.659 -21.152 91.229 47.115 126.813 102.817 90.663 41.971 147.586 -92.850 90.290 44.321 118.662-122.660 90.382 51.830 160.606 29.530 90.232 47.220 139.506 -51.595 91.928 73.230 133.671-137.117 90.449 -67.131 136.428-122.106 103.622 -64.161 180.000 180.000 98.925 -31.631 180.000 180.000 92.858 102.873 106.194 -93.591 95.140 126.323 112.858 -77.527 96.241 -86.814 115.753 -72.920 94.748 69.374 180.000 180.000 131.839 -77.027 107.661 -60.896 117.356-103.943 124.929-133.787 118.908-134.489 108.822-108.488 118.455-118.577 118.155-123.588 120.769 0.000 146.663-119.056 # 79 total E -7.76511E+01 rmsd from N 1.806 %NC 0.53 113.509 163.827 151.226-128.880 91.316 70.630 149.451-113.153 91.011 44.408 164.609 3.519 89.897 51.943 137.945 -90.483 89.745 41.368 119.118-131.080 90.625 49.724 131.307 -11.259 91.399 39.861 149.188-173.951 93.493 64.976 136.094-133.221 92.848 -60.675 121.099 -84.885 110.401-157.870 180.000 180.000 143.305 -36.696 180.000 180.000 92.034 53.988 130.881-157.809 91.863 73.815 112.933 -76.332 130.512 -83.132 118.005 -84.251 96.600 91.336 180.000 180.000 131.027 -80.944 125.077 -90.750 120.598-113.102 111.158-114.924 119.998-138.755 111.391-111.446 118.648-118.433 118.936-121.707 120.805 0.000 146.234-119.183 # 80 total E -8.58738E+01 rmsd from N 1.819 %NC 0.67 113.837 159.872 149.970 -25.761 91.840 85.231 137.855 -21.433 91.179 47.861 127.707 105.783 90.525 41.560 148.613 -93.493 90.134 47.070 119.066-121.138 90.342 51.939 162.500 33.019 90.279 47.642 145.288-129.874 91.839 71.453 130.860-135.217 90.684 -68.344 135.549-121.246 104.031 -63.766 180.000 180.000 98.913 -31.575 180.000 180.000 92.803 103.132 107.880 -95.286 94.994 126.871 113.260 -77.608 96.382 -86.721 115.153 -73.974 94.798 69.633 180.000 180.000 131.769 -77.135 107.896 -60.932 117.360-103.723 124.904-133.726 118.852-134.565 108.777-108.497 118.504-118.791 118.302-123.597 120.676 0.000 146.401-119.265 # 81 total E -8.23174E+01 rmsd from N 1.831 %NC 0.67 113.587 166.063 149.508-108.811 91.064 77.060 129.687 -2.937 90.141 48.365 126.810-103.515 90.180 44.694 143.674-104.957 90.070 43.590 122.105-127.629 91.027 47.767 149.897 12.406 90.655 44.015 128.286-157.351 91.974 75.049 134.945-133.421 90.833 -63.433 135.919-119.015 111.036 -60.925 180.000 180.000 114.180 -54.134 180.000 180.000 92.870 76.420 102.730 -93.654 93.256 128.495 113.022 -77.449 94.989 -81.827 121.897-138.088 94.101 67.798 180.000 180.000 131.108 -76.130 113.036 -96.271 118.316-104.981 119.577-126.955 119.566-137.703 112.156-111.950 121.381 -89.625 115.564-118.337 119.086 0.000 115.091 -79.431 # 82 total E -7.96186E+01 rmsd from N 1.843 %NC 0.67 113.157 163.082 150.536-133.536 91.494 69.709 137.686 -86.857 90.885 58.363 176.455 174.194 89.414 50.697 144.763 -95.537 90.362 40.746 92.396 -58.031 90.852 53.153 155.575 90.947 90.540 40.711 144.361-149.836 92.229 63.724 133.714-135.188 91.424 -70.235 140.113-124.625 111.392 -57.006 180.000 180.000 112.041 -72.578 180.000 180.000 92.320 66.992 138.619-167.281 92.898 123.688 114.009 -76.844 122.362 -91.210 121.109-126.752 94.277 72.498 180.000 180.000 121.618 -76.036 101.742-122.856 119.228-110.734 118.996-125.589 118.739-114.524 112.419-113.200 119.258-106.247 115.258-117.097 119.970 0.000 137.963-120.539 # 83 total E -7.97897E+01 rmsd from N 1.849 %NC 0.60 113.208 163.182 150.457-134.224 91.500 70.035 137.878 -87.011 90.847 59.065 176.454 173.469 89.319 49.825 144.682 -97.041 90.405 41.143 92.280 -58.158 90.758 53.145 151.492 93.674 90.539 41.838 144.765-149.198 92.269 64.205 133.530-135.867 91.435 -69.199 141.918-128.612 110.748 -57.902 180.000 180.000 109.456 -71.507 180.000 180.000 92.165 69.084 138.558-167.642 93.529 119.370 114.223 -76.016 126.095 -88.346 120.304 -84.923 94.931 72.050 180.000 180.000 122.815 -77.406 115.010-129.860 118.965-111.149 118.509-124.963 118.719-114.423 111.539-112.010 119.184-106.055 115.988-118.321 119.833 0.000 137.617-120.152 # 84 total E -7.91566E+01 rmsd from N 1.850 %NC 0.40 114.918 162.213 147.816 -21.712 91.746 87.150 135.308 -21.359 90.785 52.894 135.212 53.522 89.095 45.129 144.623 -94.691 89.706 44.771 122.115-127.965 89.954 51.219 148.669 117.049 90.210 46.115 140.235 -50.121 91.670 66.602 133.591-138.330 91.567 -58.457 144.415-136.577 119.312 -78.501 180.000 180.000 121.656 -39.555 180.000 180.000 92.646 74.113 96.075 -90.508 93.217 127.638 112.922 -77.136 122.149 -89.563 113.998 -89.853 94.824 43.295 180.000 180.000 124.662 -93.236 94.082 -59.357 116.049-108.334 118.132-124.150 117.960-133.570 120.441-122.038 118.984-118.321 116.149-117.234 120.695 0.000 145.912-120.862 # 85 total E -8.09176E+01 rmsd from N 1.860 %NC 0.73 113.427 163.644 151.078-131.740 91.482 68.770 139.473 -40.573 91.594 47.534 170.032 13.847 89.658 48.613 139.496 -89.371 89.379 43.502 115.823-126.473 90.046 55.280 142.918 -90.758 89.928 44.913 129.674 161.687 91.520 74.009 110.484-104.128 91.046 -60.285 137.160-129.476 108.697 -65.320 180.000 180.000 101.803 -28.585 180.000 180.000 92.448 101.452 101.363 -98.910 94.286 116.066 112.644 -77.701 94.240 -89.408 112.876 -75.798 94.953 61.006 180.000 180.000 135.297 -87.572 143.364 -46.359 119.682-107.544 110.694-112.775 115.500-140.729 114.601-117.265 115.366-135.022 124.674-133.102 120.903 0.000 151.289-143.553 # 86 total E -8.24715E+01 rmsd from N 1.863 %NC 0.60 118.456 179.991 142.839 -6.997 91.061 73.114 138.960 -48.700 91.231 52.005 167.809 17.049 88.982 47.864 139.028 -89.644 89.047 44.244 114.810-127.445 90.126 49.939 148.324 9.356 90.328 44.998 133.847 160.123 91.616 74.634 134.252-132.286 90.963 -57.926 134.216-130.420 109.931 -69.481 180.000 180.000 103.167 -30.532 180.000 180.000 92.532 97.494 100.021 -93.574 94.983 116.781 112.114 -79.733 111.089 -91.845 130.035-173.385 95.397 53.071 180.000 180.000 126.049 -99.446 97.293 -57.600 115.792-107.322 121.798-129.564 118.072-136.374 115.438-115.493 116.924-119.731 119.066-123.541 121.993 0.000 121.819 -81.113 # 87 total E -7.95079E+01 rmsd from N 1.868 %NC 0.60 113.175 163.161 150.736-139.233 91.516 66.834 126.504 -83.553 92.349 51.015 176.438-173.872 90.324 50.530 140.067 -89.938 89.565 43.756 115.963-128.389 90.375 54.697 124.764-110.303 89.656 44.351 132.434 178.386 91.515 70.339 130.688-135.235 90.980 -57.844 141.098-115.387 113.263 -71.930 180.000 180.000 105.450 -21.765 180.000 180.000 92.641 96.703 128.947-151.364 93.447 130.342 111.659 -77.533 96.940 -93.918 115.464-133.366 94.874 41.940 180.000 180.000 127.909 -86.983 115.401 -63.231 116.808-113.064 116.704-123.488 117.736-116.754 147.646-165.523 117.009-121.781 116.044-119.732 122.320 0.000 122.172 -81.357 # 88 total E -7.97614E+01 rmsd from N 1.871 %NC 0.47 116.628 166.298 144.391 -13.105 91.334 83.484 140.483 -23.198 92.659 38.860 170.864 13.291 91.195 48.413 140.206 -85.631 90.757 40.113 115.131-127.008 90.549 53.219 148.900 94.172 90.404 42.206 138.449 171.577 91.674 64.884 135.113-132.913 91.905 -48.653 143.193-136.549 120.852 -75.398 180.000 180.000 125.528 -49.102 180.000 180.000 92.391 66.694 98.353 -96.179 92.938 129.442 113.364 -77.335 110.261 -87.461 128.979-141.125 94.812 62.871 180.000 180.000 130.396-103.326 87.606 -66.506 117.522-107.955 117.353-123.764 116.138-136.026 145.079-161.153 118.735-118.271 116.799-118.061 121.688 0.000 121.163 -80.980 # 89 total E -7.28360E+01 rmsd from N 1.883 %NC 0.53 113.685 164.255 151.946-132.355 91.305 69.021 143.463-111.512 90.175 51.290 122.391 -39.693 89.827 50.409 144.877 -95.054 89.383 42.489 111.307 -59.127 89.924 55.826 122.651-122.144 90.144 39.041 150.297-169.710 92.185 64.436 129.049-133.730 92.310 -61.075 133.330 -92.523 111.288-159.163 180.000 180.000 145.410 -46.474 180.000 180.000 92.107 51.070 127.270-152.121 92.544 72.507 113.061 -76.431 128.226 -89.274 115.443 -82.773 96.833 64.867 180.000 180.000 133.561-133.170 97.179 -64.960 119.279-109.309 114.983-119.586 116.566-134.399 142.390-158.832 119.634-114.497 113.850-113.485 121.087 0.000 120.670 -80.000 # 90 total E -8.19316E+01 rmsd from N 1.889 %NC 0.67 115.463 167.660 150.202 -14.356 91.744 81.736 137.731 -32.473 90.322 59.413 135.130 52.889 88.371 46.654 142.993 -96.262 89.200 46.182 119.329-125.811 90.679 46.971 140.345 22.974 90.681 44.275 138.144 -54.462 92.174 74.250 135.183-137.246 91.683 -68.012 136.785-116.555 119.564 -47.568 180.000 180.000 120.560 -62.291 180.000 180.000 94.017 57.016 91.296 -80.781 95.401 128.167 116.282 -76.754 112.467 -72.758 127.279 -79.569 94.451 55.138 180.000 180.000 120.548-105.127 128.025 -77.589 119.273-109.576 116.758-122.054 117.808-136.543 114.924-116.270 117.877-118.215 123.463-127.976 120.800 0.000 147.544-114.767 # 91 total E -8.20721E+01 rmsd from N 1.897 %NC 0.67 115.823 169.679 112.804 -80.804 91.702 81.015 133.350 -25.967 92.510 42.274 173.934 17.713 90.475 46.087 141.384 -93.994 89.594 43.527 114.331-123.442 90.296 54.020 151.015 -5.480 90.003 43.288 132.571 164.690 91.224 73.735 106.861-102.345 90.936 -58.455 134.735-130.675 110.016 -69.192 180.000 180.000 104.252 -31.740 180.000 180.000 92.420 95.866 99.804 -94.333 94.734 120.102 110.692 -79.412 95.233 -91.605 124.477-174.719 94.991 58.421 180.000 180.000 130.481 -93.071 90.490-111.140 117.406-111.097 120.576-128.714 118.595-135.025 116.021-115.691 117.677-126.580 115.742-118.562 120.912 0.000 148.429-134.645 # 92 total E -8.20610E+01 rmsd from N 1.905 %NC 0.53 118.239 179.720 142.767 -6.949 91.049 73.176 138.956 -48.154 91.252 51.266 168.306 16.476 89.054 47.836 139.349 -89.561 89.040 44.216 114.671-127.557 90.060 50.117 149.278 12.127 90.326 45.163 133.563 161.006 91.663 75.347 134.235-132.000 90.793 -58.500 133.266-133.341 108.944 -68.036 180.000 180.000 101.596 -27.173 180.000 180.000 92.856 101.756 97.475 -87.916 95.853 117.258 113.327 -77.575 108.728 -92.903 139.052 -19.881 95.033 52.412 180.000 180.000 126.010 -96.341 93.891 -59.516 115.773-107.043 122.038-129.930 118.343-136.287 114.528-114.131 116.351-121.091 118.507-123.580 122.142 0.000 122.136 -81.228 # 93 total E -8.25648E+01 rmsd from N 1.907 %NC 0.67 113.201 163.754 150.910-142.984 91.488 66.050 128.373 -60.798 91.776 52.870 176.436 177.728 89.406 46.739 142.819 -95.415 89.297 48.796 114.589-124.399 90.123 56.415 139.316-103.497 89.659 42.472 139.452-158.507 91.632 67.780 109.074-109.684 91.153 -72.849 136.133-112.879 107.192 -61.123 180.000 180.000 117.735 -67.543 180.000 180.000 92.088 76.574 138.818-167.676 92.178 92.374 113.919 -76.869 92.084 -85.493 117.531-137.925 95.310 165.038 180.000 180.000 129.356 -93.922 152.702-148.856 118.649-110.775 112.649-118.459 119.885-141.439 112.033-111.489 115.992-118.546 135.409-148.119 121.715 0.000 121.574 -80.740 # 94 total E -8.22431E+01 rmsd from N 1.925 %NC 0.67 113.294 163.089 150.886-130.728 91.622 73.368 140.648 -37.827 90.657 62.197 135.560 48.730 88.636 47.713 141.574 -97.795 89.256 46.284 117.658-122.178 90.831 47.123 145.723 16.930 90.826 43.607 138.195 -53.842 92.450 74.543 134.459-136.849 91.949 -70.986 136.060-114.840 116.529 -44.353 180.000 180.000 124.795 -57.351 180.000 180.000 93.754 64.483 92.167 -82.892 94.759 134.977 115.690 -77.345 107.425 -76.660 133.673-165.707 94.464 51.888 180.000 180.000 121.307 -99.927 104.981 -55.813 117.622-107.789 118.758-124.399 118.231-135.440 113.586-114.530 118.219-118.683 120.458-124.029 120.661 0.000 146.877-117.857 # 95 total E -8.27562E+01 rmsd from N 1.930 %NC 0.53 119.580-105.632 142.338 -22.777 91.471 83.126 127.464 -36.648 92.249 43.753 97.559 -80.202 91.206 41.784 148.984 -98.144 90.313 44.415 116.894-112.901 91.214 49.303 162.615 29.403 90.701 44.427 132.012-154.658 92.021 72.253 133.872-131.187 90.678 -66.189 128.915-137.464 105.763 -67.082 180.000 180.000 99.803 -29.461 180.000 180.000 93.017 102.926 102.663 -94.331 95.657 102.571 113.613 -77.777 119.722 -92.585 126.168 -72.312 96.112 66.682 180.000 180.000 130.578-104.897 112.724 -96.945 119.926-114.324 116.082-120.989 117.754-114.672 122.462-125.503 118.909-118.241 112.365-111.764 121.856 0.000 121.386 -80.983 # 96 total E -7.68806E+01 rmsd from N 1.956 %NC 0.67 113.916 164.777 152.376-126.459 91.189 70.665 149.618-101.822 89.726 47.034 118.268 -41.151 89.687 48.844 144.115 -98.379 89.244 44.515 122.506-125.927 90.382 53.201 137.370 22.226 90.205 37.695 146.028-153.577 91.991 61.769 128.909-134.836 92.182 -70.052 133.354-111.661 117.604-170.332 180.000 180.000 130.395 -42.344 180.000 180.000 91.010 65.939 100.593-101.651 91.181 28.031 111.939 -76.952 95.119-123.548 114.432 -73.287 95.388 157.359 180.000 180.000 127.468 -82.923 149.870 -44.255 119.366-113.132 115.077-120.133 118.860-115.560 113.531-114.782 119.378-109.136 112.207-111.682 121.124 0.000 119.038 -80.971 # 97 total E -8.22619E+01 rmsd from N 1.964 %NC 0.60 113.624 165.531 150.364-115.313 91.227 72.299 124.303 -17.852 92.815 40.772 175.114 173.328 90.898 46.741 138.791 -96.186 90.051 42.255 113.225-125.464 91.114 48.586 149.278 0.398 90.818 41.985 133.428-179.794 92.147 71.973 135.046-132.107 91.612 -65.185 134.223-118.732 115.220 -45.695 180.000 180.000 125.420 -58.251 180.000 180.000 93.440 64.148 95.132 -90.357 94.416 139.984 114.942 -77.487 94.453 -73.168 129.043-172.739 94.615 52.297 180.000 180.000 124.751-105.379 101.583-101.346 118.100-113.178 120.091-127.694 119.038-135.346 113.138-112.388 116.944-123.482 119.310-123.260 122.469 0.000 122.698 -81.478 # 98 total E -8.14603E+01 rmsd from N 1.966 %NC 0.53 116.211 176.706 115.995 -83.104 91.640 87.134 138.141 -34.944 91.102 48.272 89.906 -78.277 89.883 51.376 145.350 -99.851 88.987 44.612 124.404-128.190 89.673 61.766 156.448-105.862 89.864 39.431 141.370 -45.325 92.003 70.439 104.212-111.412 90.895 -66.614 134.317-124.223 105.108 -63.174 180.000 180.000 99.300 -30.495 180.000 180.000 92.780 104.688 100.394 -92.832 93.921 124.073 113.938 -77.251 94.570 -85.135 113.530 -78.239 94.929 69.395 180.000 180.000 135.570 -73.959 131.352 -59.486 118.157-103.190 122.900-130.554 119.216-132.516 110.738-110.548 118.804-118.327 115.819-118.724 120.678 0.000 145.850-120.888 # 99 total E -7.95975E+01 rmsd from N 1.980 %NC 0.53 116.558 168.043 144.968 -12.234 91.430 83.738 137.333 -24.421 91.575 51.344 175.794 164.246 88.949 43.907 141.191 -94.759 89.463 48.089 115.088-127.723 89.343 61.934 160.087 112.595 89.719 38.869 140.085 -51.618 92.064 64.615 133.140-139.281 91.871 -68.713 144.481 -29.651 110.821 -54.197 180.000 180.000 113.450 -66.490 180.000 180.000 92.227 78.050 107.119-101.356 91.779 124.804 113.389 -77.702 92.954 -61.368 120.936-154.485 95.369 73.465 180.000 180.000 132.818-100.015 99.622 -57.023 118.365-106.757 121.906-129.092 118.880-135.903 108.415-107.229 118.229-118.960 119.114-123.872 121.852 0.000 121.512 -80.996 # 100 total E -7.56512E+01 rmsd from N 1.993 %NC 0.73 112.729 162.192 149.318-136.412 91.601 69.928 133.740 -82.447 91.148 65.266 176.445 161.792 88.854 43.546 141.045 -89.929 89.380 45.209 109.185-115.926 89.870 57.043 129.542 -23.622 90.125 38.366 149.641-175.464 91.991 63.709 126.451-132.924 92.563 -66.229 134.137-119.766 110.286-167.907 180.000 180.000 150.499 -42.148 180.000 180.000 90.504 52.952 129.899-157.917 90.460 51.012 112.422 -76.216 92.783-107.297 119.466-104.516 96.466 152.127 180.000 180.000 125.092-104.614 148.543 175.897 119.375-110.859 116.657-122.133 117.752-136.379 113.660-115.534 119.623-111.579 115.291-115.603 121.217 0.000 119.667 -80.816 # 101 total E -8.47471E+01 rmsd from N 2.007 %NC 0.67 118.267-156.898 114.866 -82.123 91.792 86.137 135.914 -27.457 91.548 45.796 124.116 101.188 90.977 42.308 149.166 -91.586 90.547 42.615 118.454-118.652 90.817 51.397 160.686 33.824 90.387 45.736 139.470 -52.276 91.904 73.743 135.349-135.156 90.184 -66.269 131.889-134.714 103.666 -66.247 180.000 180.000 96.360 -30.744 180.000 180.000 92.678 105.794 106.636 -93.343 95.205 109.548 121.653-113.938 119.211 -87.476 124.140 -77.711 95.603 69.765 180.000 180.000 127.593 -88.036 112.496-101.464 118.389-110.398 120.206-127.939 118.379-136.461 111.049-110.926 117.984-118.741 122.222-127.260 120.743 0.000 147.237-116.146 # 102 total E -8.08679E+01 rmsd from N 2.016 %NC 0.67 113.635 164.247 151.412-124.641 91.551 72.325 137.635 -29.995 91.774 46.831 176.433 179.572 89.913 47.894 139.288 -99.197 89.543 44.399 115.378-126.689 90.323 57.274 159.827 -85.190 90.209 43.589 138.642-176.640 92.051 71.549 107.734-108.374 91.612 -66.285 89.968 -70.464 103.684 -61.126 180.000 180.000 101.508 -29.591 180.000 180.000 92.750 105.679 101.125 -95.514 93.670 124.556 112.419 -77.417 94.254 -82.927 111.826 -77.192 94.982 70.658 180.000 180.000 135.613 -76.850 131.373 -53.353 118.312-103.762 121.758-128.492 118.689-136.977 108.347-108.121 117.969-122.407 120.492-126.916 121.966 0.000 122.502 -80.980 # 103 total E -8.55386E+01 rmsd from N 2.025 %NC 0.60 113.674 160.652 151.752 -26.283 91.888 83.317 137.210 -26.505 91.485 45.882 124.528 104.243 90.975 41.793 148.200 -92.700 90.532 43.026 118.171-117.469 90.786 51.538 162.212 32.424 90.355 45.390 139.524 -51.727 91.858 72.992 134.196-135.730 90.338 -67.095 131.949-133.416 104.319 -65.093 180.000 180.000 98.518 -33.158 180.000 180.000 92.881 102.997 105.798 -87.651 95.239 112.167 112.439 -77.725 118.441 -86.038 124.115 -76.964 95.510 69.592 180.000 180.000 127.101 -87.888 112.716-101.608 118.466-110.294 120.198-127.983 118.381-136.506 111.002-110.810 117.921-118.574 122.139-127.079 120.736 0.000 147.376-115.946 # 104 total E -8.24953E+01 rmsd from N 2.030 %NC 0.47 112.172 156.546 150.702 -40.182 92.075 85.550 132.322 -21.257 91.811 43.917 102.540 -84.477 91.045 43.209 146.388 -94.616 91.162 40.041 119.111-120.127 91.723 48.349 139.490 81.272 91.161 46.123 130.159-168.133 92.237 73.547 140.020-132.314 91.843 -52.528 144.242-147.231 118.265 -55.332 180.000 180.000 120.536 -62.554 180.000 180.000 92.793 65.413 102.579 -98.281 92.746 130.563 132.136-130.042 94.538 -72.787 118.240-149.935 94.338 65.837 180.000 180.000 128.911 -93.774 97.620 -60.135 117.182-107.424 119.616-126.557 118.231-136.446 111.744-111.496 117.816-118.969 123.518-130.467 122.091 0.000 121.705 -81.075 # 105 total E -7.66320E+01 rmsd from N 2.036 %NC 0.67 113.796 164.192 152.192-132.272 91.291 70.268 145.579-109.363 89.494 53.557 118.337 -42.858 88.932 48.883 145.771 -99.511 89.273 47.180 114.320 -60.944 90.638 51.780 143.968 36.433 90.456 37.707 147.028-110.929 92.484 58.614 128.405-136.377 92.958 -79.717 134.627-102.305 119.073-168.817 180.000 180.000 124.712 -33.671 180.000 180.000 91.094 68.177 100.233 -98.601 91.330 22.975 111.222 -76.793 96.603-126.053 114.886 -71.795 95.153 157.501 180.000 180.000 129.015 -84.913 152.544 -65.971 119.815-111.929 116.165-121.770 118.692-116.618 113.518-114.893 119.452-115.180 111.038-110.145 120.557 0.000 144.294-118.645 # 106 total E -8.12644E+01 rmsd from N 2.038 %NC 0.53 115.929 170.879 156.086-117.531 91.185 74.487 137.138 -25.862 90.182 49.780 92.970 -79.103 89.716 43.563 144.697-104.355 89.746 44.401 121.230-118.478 91.196 50.106 176.502-173.907 90.711 42.097 141.178-133.698 92.519 69.790 130.095-134.739 90.973 -70.280 132.674-122.021 104.041 -61.284 180.000 180.000 98.170 -31.205 180.000 180.000 92.948 105.081 101.351 -89.255 93.967 127.580 114.356 -77.024 96.799 -84.309 114.159 -80.248 94.937 72.339 180.000 180.000 132.819 -74.199 113.342 -93.263 117.778-103.653 123.163-132.163 119.172-134.027 108.283-107.403 118.490-118.759 117.989-123.344 120.713 0.000 146.435-119.217 # 107 total E -7.98278E+01 rmsd from N 2.040 %NC 0.60 115.061 162.206 149.172 -20.153 91.719 84.689 135.376 -20.189 91.507 42.192 130.869 113.350 90.880 45.836 144.218 -93.000 90.061 41.857 119.808-125.602 90.560 52.284 141.566 -4.370 90.322 43.044 153.812 -34.887 91.458 71.190 133.555-137.336 91.239 -57.759 134.561-119.311 107.290-167.944 180.000 180.000 143.651 -41.651 180.000 180.000 90.679 54.805 100.673-110.705 90.786 53.519 112.592 -77.179 94.659-121.138 107.848 -77.653 96.613 162.935 180.000 180.000 127.454-101.604 138.716 -82.615 120.365-109.909 118.745-124.996 118.736-134.288 110.199-111.280 119.280-118.425 114.274-113.795 120.729 0.000 145.725-123.300 # 108 total E -8.62882E+01 rmsd from N 2.046 %NC 0.60 113.971 161.535 151.707 -25.338 91.838 82.661 136.823 -27.922 91.468 46.546 125.563 106.707 90.839 41.502 149.368 -93.027 90.330 45.771 118.196-116.374 90.658 51.464 163.570 34.576 90.339 46.223 145.921-124.432 91.718 71.026 132.319-133.742 90.653 -68.080 131.048-132.405 104.964 -64.450 180.000 180.000 98.955 -33.806 180.000 180.000 92.750 102.867 107.373 -88.574 95.165 112.896 111.614 -78.013 119.012 -85.506 124.012 -77.817 95.493 69.734 180.000 180.000 127.084 -87.544 112.634-101.990 118.452-110.155 120.095-127.775 118.305-136.470 110.807-110.737 117.777-118.953 123.125-128.809 121.801 0.000 121.578 -81.085 # 109 total E -8.15443E+01 rmsd from N 2.052 %NC 0.53 115.857 173.527 115.384 -83.167 91.513 84.377 136.800 -43.170 91.199 47.975 88.486 -79.203 90.022 52.387 145.725 -99.475 89.019 43.689 124.128-126.197 89.819 61.084 152.826-112.566 89.817 39.798 141.372 -44.554 91.902 70.867 105.243-110.647 90.732 -65.340 133.856-127.466 105.107 -65.387 180.000 180.000 96.686 -28.217 180.000 180.000 92.567 107.451 102.398 -94.401 94.018 117.064 124.125-117.491 109.697 -88.634 116.565 -81.363 95.113 68.014 180.000 180.000 131.077 -79.235 112.938-102.477 117.673-104.254 123.877-132.897 118.868-134.242 112.058-111.736 118.613-118.568 117.405-120.450 121.894 0.000 121.464 -81.008 # 110 total E -7.96854E+01 rmsd from N 2.057 %NC 0.60 113.605 164.096 151.342-126.923 91.448 71.294 141.940 -34.062 91.019 46.859 171.348 13.308 89.303 49.456 140.244 -97.285 89.002 46.868 117.278-129.270 89.406 57.466 158.825-111.549 89.936 43.777 140.694 -45.934 92.107 73.204 109.724-113.753 91.059 -66.559 89.320 -72.438 102.298 -62.702 180.000 180.000 100.194 -27.767 180.000 180.000 93.189 106.620 101.081 -94.095 94.033 121.022 114.465 -76.893 107.084 -88.743 113.928 -78.019 95.113 64.635 180.000 180.000 130.102 -78.624 138.128 -46.003 117.903-106.445 120.431-126.808 119.476-138.824 110.721-110.060 117.805-120.106 120.165-125.814 121.022 0.000 149.397-112.618 # 111 total E -8.19773E+01 rmsd from N 2.068 %NC 0.73 114.565 160.260 147.130 -25.346 91.639 87.282 135.752 -14.774 91.022 44.138 134.152 108.781 90.658 45.615 147.429 -93.680 90.181 41.606 122.213-129.101 90.804 54.982 138.311 -4.313 90.533 36.670 141.747 -49.905 92.381 65.347 130.132-135.229 92.279 -71.122 131.090-124.101 108.532-170.172 180.000 180.000 146.794 -56.829 180.000 180.000 90.490 53.261 133.096-163.343 90.581 52.589 112.607 -76.386 92.762-106.642 108.853 -77.915 96.197 140.454 180.000 180.000 123.674 -91.805 140.359 -53.038 119.593-114.322 115.737-120.899 118.450-134.546 111.722-112.965 118.915-118.565 115.586-115.726 120.775 0.000 145.659-122.378 # 112 total E -8.14852E+01 rmsd from N 2.073 %NC 0.67 117.365 173.713 144.252 -8.993 91.178 77.402 139.811 -37.330 91.765 43.677 171.492 12.720 89.883 50.897 143.124 -93.834 89.271 44.863 117.647-129.306 89.749 58.618 154.748 -92.020 89.907 39.662 142.722-173.436 91.896 70.802 105.740-106.726 91.058 -64.451 135.183-124.608 106.109 -63.884 180.000 180.000 100.239 -30.531 180.000 180.000 92.686 104.539 100.118 -96.005 94.017 123.162 113.186 -77.389 94.110 -83.583 114.481 -76.649 95.132 69.464 180.000 180.000 135.480 -76.717 133.808 -50.837 118.002-103.844 122.400-129.283 119.248-139.804 108.753-108.223 117.439-120.846 121.182-127.838 121.084 0.000 149.681-111.839 # 113 total E -8.81325E+01 rmsd from N 2.077 %NC 0.47 114.357 172.026 150.423-103.325 91.052 74.743 127.397 -16.671 90.931 45.198 93.293 -84.973 90.498 43.627 146.523 -97.485 90.293 43.699 117.274-122.575 91.124 47.936 155.397 31.790 90.762 44.634 131.179-155.271 92.004 71.092 136.125-133.220 90.876 -66.220 135.120-122.327 110.078 -67.312 180.000 180.000 112.623 -55.525 180.000 180.000 92.486 76.953 139.789-168.963 92.679 107.865 112.928 -76.389 123.879 -87.347 117.288 -84.794 94.733 74.104 180.000 180.000 127.105 -73.197 140.039 -63.709 119.738-111.225 107.646-110.170 119.064-137.974 111.853-112.948 117.504-118.354 125.179-132.203 120.882 0.000 147.759-112.424 # 114 total E -8.05322E+01 rmsd from N 2.079 %NC 0.67 113.851 164.586 152.150-129.230 91.433 68.769 138.081 -38.174 91.632 44.278 171.741 12.724 90.085 49.494 140.870 -94.853 89.357 45.290 116.745-127.349 89.975 56.878 156.576 -95.061 90.254 43.251 143.906-173.031 92.158 72.198 108.649-108.719 91.631 -65.230 88.049 -71.742 103.535 -62.352 180.000 180.000 99.642 -27.612 180.000 180.000 92.769 107.121 101.975 -97.765 93.701 119.332 120.949-114.469 96.352 -87.504 113.672 -78.577 95.325 72.697 180.000 180.000 133.543 -78.443 116.171-100.829 117.955-106.047 121.361-129.600 119.770-140.077 108.583-107.420 117.763-120.441 120.341-126.467 121.032 0.000 149.223-111.708 # 115 total E -8.84318E+01 rmsd from N 2.079 %NC 0.67 112.374 156.824 150.151 -39.910 92.002 83.994 132.500 -20.586 91.382 42.847 102.075 -84.452 90.540 45.039 150.351 -94.181 90.368 43.378 117.938-125.920 90.874 48.912 150.945 40.592 90.432 43.427 130.000-154.027 91.803 70.881 136.904-138.001 90.934 -66.340 141.115 -41.064 110.756 -68.490 180.000 180.000 113.084 -60.913 180.000 180.000 92.474 71.208 139.613-169.219 92.574 105.522 113.236 -76.204 128.728 -86.222 116.956 -87.037 95.005 72.837 180.000 180.000 123.990 -76.399 140.555 -55.361 119.829-112.458 108.967-111.464 119.571-137.402 112.178-112.946 117.675-118.468 124.153-130.000 120.829 0.000 147.645-113.764 # 116 total E -8.81302E+01 rmsd from N 2.082 %NC 0.47 114.174 172.057 150.419-103.089 91.025 74.738 127.555 -16.961 90.920 45.155 93.390 -84.782 90.515 43.625 146.638 -97.474 90.301 43.661 117.226-122.720 91.112 47.954 155.958 31.387 90.750 44.933 131.145-155.443 91.980 71.308 136.328-133.206 90.840 -66.465 135.742-120.658 109.668 -66.876 180.000 180.000 112.389 -54.612 180.000 180.000 92.517 78.186 140.043-169.204 92.745 107.999 114.117 -76.235 123.672 -87.792 117.537 -84.442 94.728 74.352 180.000 180.000 127.211 -73.028 139.715 -65.536 119.726-110.996 107.707-110.297 119.071-137.865 111.754-112.797 117.510-118.201 125.370-132.526 120.816 0.000 147.773-112.499 # 117 total E -8.88499E+01 rmsd from N 2.096 %NC 0.60 112.177 157.492 151.434 -40.446 92.009 82.646 130.929 -24.886 91.792 42.347 101.482 -83.290 90.995 44.812 150.426 -95.183 90.404 42.672 117.897-121.565 91.220 48.458 155.368 34.787 90.846 43.958 131.291-152.114 92.082 71.612 137.861-133.244 90.868 -65.535 135.094-125.940 109.792 -67.137 180.000 180.000 112.137 -56.699 180.000 180.000 92.495 76.273 139.731-168.993 92.726 108.255 112.900 -76.325 123.949 -86.778 117.704 -84.662 94.782 73.463 180.000 180.000 126.664 -74.225 139.707 -62.712 119.645-111.381 108.952-111.835 119.495-137.558 111.922-112.637 117.634-118.231 123.953-130.123 121.818 0.000 121.282 -80.951 # 118 total E -7.90567E+01 rmsd from N 2.115 %NC 0.60 115.646 164.481 146.771 -16.215 91.580 85.772 139.068 -21.075 92.712 40.374 176.442 178.943 90.556 48.221 141.340 -97.390 89.839 43.803 115.491-129.291 90.277 49.241 162.966 29.954 90.567 42.477 141.071 -46.361 92.494 71.678 134.568-140.365 90.839 -63.877 162.753 -24.543 106.431 -71.402 180.000 180.000 98.247 -32.085 180.000 180.000 92.462 103.145 107.121-100.028 93.605 113.437 117.939-113.252 114.450 -94.287 114.580-146.368 94.342 70.799 180.000 180.000 129.412 -74.613 102.454-109.050 117.650-104.223 120.232-128.491 118.515-137.671 110.921-110.679 118.449-119.432 121.455-127.782 120.989 0.000 149.342-106.721 # 119 total E -8.06345E+01 rmsd from N 2.120 %NC 0.60 116.433 167.042 145.431 -12.573 91.482 83.686 133.905 -20.983 92.951 38.685 176.441 179.192 91.494 49.208 140.700 -96.074 90.426 40.827 114.293-127.824 91.067 48.946 157.508 31.055 90.796 45.741 131.194-174.820 92.074 76.546 137.964-128.905 90.097 -63.507 134.255-133.721 103.537 -66.936 180.000 180.000 98.169 -31.225 180.000 180.000 92.838 103.498 106.308-101.421 93.558 113.434 115.062 -78.511 110.389 -91.378 118.704-144.940 94.666 68.824 180.000 180.000 132.186 -71.378 142.934 161.944 117.459-105.337 119.505-127.477 119.552-136.992 110.761-110.255 118.976-118.719 117.660-122.165 120.849 0.000 148.404-109.090 # 120 total E -8.82952E+01 rmsd from N 2.129 %NC 0.67 112.465 157.121 150.035 -38.113 92.014 83.994 134.044 -21.633 91.565 42.221 102.955 -83.524 90.611 45.187 150.468 -94.660 90.419 43.183 118.017-125.263 90.964 48.842 154.169 40.733 90.426 43.225 129.985-152.936 91.785 72.067 137.019-137.404 90.823 -68.351 137.302 -48.566 109.492 -63.877 180.000 180.000 113.733 -58.342 180.000 180.000 92.650 73.460 139.973-168.952 92.444 111.513 113.481 -76.442 123.154 -88.573 120.981-123.133 94.414 72.609 180.000 180.000 124.260 -73.927 135.737 -70.365 119.876-111.855 108.944-111.796 119.559-137.121 112.172-112.891 117.783-117.800 123.302-129.232 121.731 0.000 121.373 -80.921 # 121 total E -8.33577E+01 rmsd from N 2.129 %NC 0.60 116.911 168.950 144.650 -10.580 91.377 82.192 131.420 -22.492 92.993 39.314 176.432 176.979 91.483 47.777 140.651 -96.158 90.304 42.135 113.328-125.849 90.955 48.754 155.350 29.199 90.937 51.815 131.377-176.026 92.274 76.902 128.121-108.812 91.064 -66.571 85.482 -73.064 100.367 -62.219 180.000 180.000 99.672 -30.017 180.000 180.000 93.143 106.989 106.473 -97.012 94.316 107.610 113.580 -77.403 112.357 -91.467 117.364 -75.190 94.965 75.715 180.000 180.000 131.983 -73.995 119.804 -94.245 118.168-105.900 117.529-124.627 119.012-139.354 111.322-111.272 119.332-116.243 119.588-123.991 120.783 0.000 147.758-104.115 # 122 total E -8.61363E+01 rmsd from N 2.142 %NC 0.67 116.356 176.668 113.658 -80.257 91.701 83.921 132.617 -17.437 92.830 37.021 176.423-179.253 91.442 51.709 141.758 -96.321 90.453 41.581 116.125-130.535 91.004 49.648 151.988 36.217 90.437 42.090 133.773-161.456 91.882 71.514 136.647-136.559 90.910 -65.939 140.787 -45.203 111.075 -70.889 180.000 180.000 112.736 -58.620 180.000 180.000 92.526 72.686 139.582-168.768 92.717 104.888 113.104 -76.486 128.571 -87.180 117.401 -87.302 95.101 72.979 180.000 180.000 124.769 -74.755 140.747 -58.097 119.547-111.273 108.554-111.259 119.741-142.205 112.005-112.639 118.823-105.470 125.112-131.004 120.404 0.000 118.838 -79.996 # 123 total E -8.16648E+01 rmsd from N 2.145 %NC 0.60 115.994 171.755 113.207 -80.798 91.749 82.801 134.842 -22.854 92.612 40.675 176.431 178.160 90.665 48.010 140.413 -96.357 89.927 43.460 114.736-127.988 90.288 49.801 161.100 34.861 90.508 44.498 141.749 -44.590 92.181 74.620 134.662-135.400 90.208 -66.162 133.596-133.337 103.988 -66.649 180.000 180.000 98.183 -31.428 180.000 180.000 92.901 103.170 106.736 -97.422 93.691 113.479 114.454 -78.373 113.151 -92.560 120.262-142.927 94.522 71.455 180.000 180.000 130.210 -73.497 111.372-101.055 117.862-105.069 119.138-126.814 119.058-137.212 110.855-110.439 118.211-119.195 121.074-127.157 121.808 0.000 121.864 -80.697 # 124 total E -8.15113E+01 rmsd from N 2.146 %NC 0.67 113.015 162.735 149.555-122.846 91.679 74.294 139.376 -27.828 91.201 56.516 176.429 169.742 89.188 42.916 140.900 -96.872 89.200 49.342 109.956 -37.678 89.667 59.892 144.381 -84.589 89.975 42.503 138.925 176.256 91.983 57.254 106.441-108.720 93.157 -67.508 117.320 -79.987 119.311 -50.284 180.000 180.000 120.163 -59.982 180.000 180.000 92.167 79.961 105.464 -91.144 92.026 136.485 113.250 -77.099 93.126 -67.589 119.889-150.118 94.868 67.488 180.000 180.000 132.607 -84.833 124.485 -44.921 118.542-101.242 125.454-132.493 116.529-138.584 108.627-109.313 117.589-118.571 125.269-134.786 121.602 0.000 121.886 -80.823 # 125 total E -8.18337E+01 rmsd from N 2.146 %NC 0.60 116.467 167.807 145.516 -11.481 91.446 82.934 134.446 -23.309 92.646 40.691 176.434 177.065 90.633 47.993 140.893 -96.642 89.928 43.474 114.638-127.931 90.289 49.902 161.344 34.968 90.491 44.444 141.518 -45.182 92.160 74.526 134.619-135.352 90.166 -66.335 133.536-133.588 103.990 -66.636 180.000 180.000 98.088 -31.190 180.000 180.000 92.937 103.376 106.803 -97.146 93.672 113.408 114.776 -78.275 113.113 -92.861 120.334-143.316 94.511 71.679 180.000 180.000 130.062 -73.460 111.312-101.024 117.865-105.011 119.121-126.921 118.988-137.110 110.946-110.573 118.321-118.963 120.923-126.935 121.752 0.000 121.727 -80.728 # 126 total E -7.13213E+01 rmsd from N 2.152 %NC 0.60 113.388 163.299 150.278-127.245 91.398 70.423 149.456 -38.310 90.139 54.481 164.887 17.375 88.310 48.120 143.760 -90.167 88.672 50.286 108.203 -36.962 89.270 50.949 135.047-110.150 89.783 44.023 145.988-151.997 92.194 63.030 128.671-133.149 92.113 -67.521 114.094 -73.820 115.965-168.699 180.000 180.000 124.148 -34.795 180.000 180.000 90.833 63.981 100.852-100.760 90.951 28.496 111.893 -76.777 95.148-135.702 128.314 -54.674 95.666 156.030 180.000 180.000 128.727-100.481 150.388 -86.381 119.412-110.020 117.682-124.559 119.904-140.224 108.486-107.229 114.802-142.605 121.781-128.594 120.333 0.000 150.699-161.135 # 127 total E -8.06390E+01 rmsd from N 2.176 %NC 0.67 113.783 164.012 152.331-131.988 91.412 67.958 139.558 -41.697 91.551 45.425 170.551 12.407 89.943 49.304 141.498 -94.220 89.288 45.711 116.925-126.841 89.914 56.859 153.495-103.264 90.100 43.612 145.948-169.086 92.043 72.035 109.759-109.868 91.515 -64.981 87.890 -72.019 103.941 -63.664 180.000 180.000 99.127 -26.192 180.000 180.000 92.822 108.643 103.082 -97.293 93.937 116.519 123.213-117.443 110.453 -89.489 114.688 -78.018 95.215 67.353 180.000 180.000 130.140 -80.739 114.468-102.511 117.774-106.821 120.582-128.448 119.339-141.522 110.809-109.978 117.497-119.871 122.405-128.932 121.087 0.000 149.633-108.697 # 128 total E -8.03885E+01 rmsd from N 2.192 %NC 0.67 116.030 166.022 146.588 -15.216 91.541 82.791 138.938 -22.025 92.806 36.628 171.067 14.225 91.490 49.603 142.392 -91.935 90.232 41.606 114.791-127.266 90.640 49.135 158.301 32.207 90.758 44.953 132.001 179.986 92.164 76.725 138.085-129.217 90.200 -62.203 134.354-134.275 103.530 -67.631 180.000 180.000 96.222 -28.951 180.000 180.000 92.606 106.135 106.642-105.018 93.575 111.652 120.914-120.133 110.742 -93.000 115.211-148.866 94.745 68.430 180.000 180.000 132.432 -70.709 144.014 161.317 117.119-105.498 119.527-127.812 119.776-138.806 110.309-109.526 118.873-118.945 118.220-123.210 120.913 0.000 148.564-109.527 # 129 total E -8.37654E+01 rmsd from N 2.209 %NC 0.60 116.347 167.558 145.847 -12.768 91.479 81.665 137.575 -23.278 92.821 36.750 171.522 15.369 91.563 48.981 142.362 -92.582 90.172 41.732 114.279-126.101 90.646 49.224 157.147 26.888 90.664 45.122 131.848 178.500 92.037 76.546 137.747-130.046 90.163 -63.112 134.051-134.224 103.982 -66.875 180.000 180.000 98.380 -31.809 180.000 180.000 92.760 103.197 108.602-105.388 93.690 111.867 114.313 -78.345 111.715 -93.297 119.742-143.137 94.556 71.390 180.000 180.000 130.496 -72.259 112.253-101.656 117.690-104.945 118.352-125.933 119.324-140.839 110.835-110.468 119.244-117.634 119.648-124.915 120.737 0.000 148.070-105.508 # 130 total E -8.37661E+01 rmsd from N 2.210 %NC 0.60 116.171 166.926 145.947 -13.064 91.505 81.891 137.554 -23.637 92.843 36.670 171.509 15.346 91.563 49.059 142.568 -92.407 90.164 41.623 114.354-126.101 90.624 49.306 157.137 26.971 90.645 45.257 131.934 178.447 92.019 76.468 137.909-129.940 90.140 -63.257 134.186-133.993 104.005 -66.822 180.000 180.000 98.388 -31.982 180.000 180.000 92.744 103.282 108.614-105.455 93.652 111.583 114.177 -78.431 112.374 -93.338 119.846-142.433 94.495 71.367 180.000 180.000 130.408 -72.451 112.773-101.258 117.749-104.991 118.350-125.906 119.364-141.021 110.971-110.586 119.290-117.620 119.701-124.965 120.991 0.000 148.406-104.782 # 131 total E -7.68587E+01 rmsd from N 2.211 %NC 0.60 113.687 166.458 150.062-112.060 91.205 71.339 150.898-103.127 91.653 38.166 164.636 -0.029 90.896 56.248 141.278 -93.901 90.103 40.993 119.211-133.373 91.247 51.805 126.196 33.815 90.645 38.851 144.905-149.391 92.039 70.064 134.897-133.546 92.889 -91.536 135.409-130.186 135.336 -78.776 180.000 180.000 131.172 -55.754 180.000 180.000 92.937 57.459 97.403 -80.874 92.822 85.298 113.645 -76.941 124.059 -94.051 111.909 -89.682 96.063 62.319 180.000 180.000 127.812-105.329 101.965-119.856 119.278-109.888 115.088-119.684 117.704-140.313 119.276-121.775 117.499-117.555 126.208-132.557 121.513 0.000 121.242 -80.422 # 132 total E -8.06687E+01 rmsd from N 2.218 %NC 0.67 112.675 162.139 149.481-135.057 91.649 71.841 139.506 -89.691 91.766 66.328 176.471 162.691 89.203 41.211 139.127 -93.028 89.441 48.136 106.725-111.754 90.322 58.348 149.725 -38.962 90.065 40.953 141.887 164.355 90.951 62.706 100.558-101.074 92.305 -67.015 131.247-121.302 120.643 -47.819 180.000 180.000 123.835 -59.383 180.000 180.000 92.925 68.270 100.376 -68.029 93.901 137.500 114.905 -76.933 108.733 -70.170 134.323-172.117 94.843 61.007 180.000 180.000 121.711 -93.807 102.604 -58.930 118.388-107.238 120.339-126.564 119.142-136.205 110.555-110.353 118.219-118.619 120.229-124.535 121.879 0.000 121.565 -81.024 # 133 total E -7.71538E+01 rmsd from N 2.224 %NC 0.60 114.146 164.975 152.633-125.470 91.455 71.066 129.733 -31.806 92.256 44.510 174.240 165.971 90.117 45.800 139.627 -99.505 89.686 44.580 108.405 -32.327 91.064 49.536 176.471 159.525 90.879 40.357 142.367-159.119 93.370 64.012 130.538-134.778 92.448 -63.185 150.100 -4.351 111.185 -67.773 180.000 180.000 100.005 -22.283 180.000 180.000 93.273 108.374 98.490 -96.952 95.146 107.053 125.557-117.216 110.472 -95.854 137.729 -13.804 96.131 57.780 180.000 180.000 129.027 -99.123 123.232-110.829 118.502-112.429 118.209-124.613 118.707-135.227 118.286-119.283 118.221-121.677 115.466-116.991 120.922 0.000 148.001-121.933 # 134 total E -8.03425E+01 rmsd from N 2.231 %NC 0.60 114.006 163.866 152.184-133.320 91.410 68.234 139.763 -42.105 91.304 46.080 171.757 12.673 89.603 49.887 141.460 -95.846 89.036 46.308 117.572-128.082 89.507 59.169 152.165-107.773 89.831 39.218 141.643 -45.684 92.036 70.868 105.887-110.262 90.827 -65.866 133.857-128.430 105.385 -64.076 180.000 180.000 98.876 -29.802 180.000 180.000 92.982 105.530 101.459 -92.388 94.041 117.900 114.870 -77.057 110.885 -85.754 117.256 -80.787 95.331 68.186 180.000 180.000 129.860 -80.831 113.331-104.262 117.577-106.256 121.602-130.027 119.398-143.152 109.843-108.817 117.393-120.232 123.127-130.325 121.203 0.000 149.941-107.881 # 135 total E -8.03437E+01 rmsd from N 2.233 %NC 0.60 114.014 164.325 151.997-133.012 91.425 68.254 139.721 -42.588 91.331 46.012 171.753 12.541 89.603 49.877 141.364 -95.858 89.037 46.253 117.554-128.074 89.490 59.056 151.846-107.432 89.815 39.296 141.774 -45.050 92.030 70.625 106.221-110.285 90.824 -65.928 133.749-128.228 105.563 -64.081 180.000 180.000 98.974 -29.804 180.000 180.000 92.976 105.514 101.580 -92.451 94.001 117.630 114.585 -77.072 111.018 -85.807 117.307 -80.759 95.333 68.291 180.000 180.000 129.922 -80.978 113.402-104.356 117.614-106.265 121.618-129.944 119.299-143.438 110.015-109.131 117.300-120.730 123.053-130.231 121.258 0.000 149.729-108.104 # 136 total E -8.12628E+01 rmsd from N 2.233 %NC 0.53 118.463 175.731 140.615 -6.882 91.097 77.543 149.124-108.230 90.916 45.845 167.203 9.525 89.548 50.692 139.881 -94.079 89.290 44.769 117.522-131.024 89.722 49.004 151.288 12.391 90.403 48.013 139.668-177.056 91.525 78.873 110.809 111.771 89.785 -62.690 135.356-132.184 103.030 -69.074 180.000 180.000 98.261 -29.667 180.000 180.000 93.051 104.292 137.775-164.551 93.200 112.010 115.501 -77.113 112.185 -92.072 119.466-133.640 94.533 75.373 180.000 180.000 132.966 -69.770 113.872-108.008 117.882-103.294 119.483-127.464 119.481-140.554 109.402-109.187 120.687-109.290 116.254-119.749 120.095 0.000 143.338-101.738 # 137 total E -8.03443E+01 rmsd from N 2.234 %NC 0.60 113.781 163.981 152.345-134.124 91.385 68.012 140.005 -42.860 91.335 46.044 171.648 12.453 89.606 50.001 141.465 -95.688 89.038 46.221 117.478-128.241 89.499 59.227 150.994-107.507 89.811 39.217 141.964 -45.204 92.022 70.704 106.169-110.325 90.795 -65.872 133.836-128.634 105.638 -64.173 180.000 180.000 99.008 -29.634 180.000 180.000 92.994 105.381 101.436 -92.434 94.007 117.399 114.761 -77.108 111.376 -85.967 117.412 -80.731 95.302 68.081 180.000 180.000 129.821 -81.391 113.351-104.504 117.702-106.361 121.054-129.151 119.109-143.422 110.491-109.742 117.185-120.485 123.637-131.074 121.020 0.000 149.720-107.477 # 138 total E -7.98865E+01 rmsd from N 2.234 %NC 0.67 113.767 164.356 152.325-133.332 91.391 66.973 138.515 -44.997 91.673 45.001 170.760 10.696 90.101 50.336 141.710 -92.860 89.340 44.817 117.361-127.617 89.961 56.465 147.975-101.446 90.084 41.206 144.133-171.986 92.301 67.327 109.079-106.647 91.946 -63.482 153.910 -15.008 108.851 -65.688 180.000 180.000 101.220 -30.270 180.000 180.000 92.750 105.211 102.467 -95.313 94.142 116.786 112.525 -77.634 110.709 -87.506 115.860 -78.590 95.251 67.851 180.000 180.000 130.026 -81.218 114.345-103.994 117.916-106.860 119.439-126.850 118.731-143.290 110.868-110.500 117.046-120.409 124.338-132.207 121.169 0.000 150.120-106.047 # 139 total E -8.03441E+01 rmsd from N 2.238 %NC 0.60 113.962 164.126 152.064-134.280 91.398 68.086 139.777 -42.816 91.324 45.968 171.730 12.206 89.590 49.992 141.205 -95.868 89.034 46.234 117.638-128.254 89.501 59.185 151.352-107.485 89.799 39.233 141.728 -45.073 92.025 70.679 106.242-110.376 90.813 -65.940 133.882-128.432 105.560 -64.075 180.000 180.000 98.969 -29.714 180.000 180.000 92.984 105.502 101.630 -92.903 94.006 117.407 114.769 -77.154 111.322 -85.876 117.092 -80.871 95.326 68.345 180.000 180.000 129.813 -81.250 113.487-104.480 117.643-106.272 121.294-129.585 119.266-143.442 110.268-109.375 117.231-121.096 123.636-131.014 121.106 0.000 150.194-107.702 # 140 total E -8.03202E+01 rmsd from N 2.246 %NC 0.60 113.788 163.880 152.167-136.208 91.526 69.261 137.510 -40.283 91.940 46.423 176.401 179.988 89.807 48.871 138.701 -99.114 89.231 45.540 115.929-127.270 89.838 60.407 156.325-104.108 89.988 38.985 142.491 -42.794 92.036 69.993 103.868-110.153 90.950 -66.318 132.709-128.540 105.400 -64.158 180.000 180.000 96.568 -28.848 180.000 180.000 92.633 108.064 102.723 -91.384 93.901 117.691 124.205-116.699 111.218 -84.258 117.678 -81.464 95.310 70.883 180.000 180.000 130.676 -79.772 114.663-102.897 117.842-105.215 121.655-130.091 118.788-141.127 109.113-108.374 117.818-120.416 122.677-129.717 121.818 0.000 122.200 -80.656 # 141 total E -8.10015E+01 rmsd from N 2.252 %NC 0.67 113.775 164.458 152.237-133.062 91.407 67.097 139.209 -44.167 91.573 45.470 170.977 11.852 90.002 49.794 142.099 -93.449 89.276 45.347 117.269-126.923 89.951 57.861 149.260-102.860 89.966 39.566 145.573-169.759 91.953 70.248 106.201-106.203 91.073 -64.053 133.990-129.320 106.704 -65.381 180.000 180.000 97.534 -27.971 180.000 180.000 92.581 107.442 102.742 -96.526 94.035 114.733 123.040-117.326 111.492 -87.136 117.565 -80.109 95.423 68.777 180.000 180.000 130.568 -81.920 114.190-104.929 117.820-106.529 120.729-128.541 118.936-143.705 110.535-110.107 117.086-120.265 124.416-132.219 120.944 0.000 149.939-106.032 # 142 total E -8.13985E+01 rmsd from N 2.261 %NC 0.67 113.868 164.278 152.204-133.085 91.405 67.124 138.979 -44.332 91.617 45.212 171.121 11.462 90.016 50.025 141.870 -93.237 89.265 45.290 117.319-127.225 89.931 57.768 148.676-102.130 89.908 39.663 144.221-172.622 91.909 70.065 106.502-106.128 91.092 -64.947 134.233-128.899 106.882 -63.958 180.000 180.000 99.833 -30.318 180.000 180.000 92.801 105.035 102.195 -94.350 94.025 116.413 113.637 -77.603 110.364 -85.558 117.650 -80.069 95.356 68.878 180.000 180.000 130.541 -82.020 114.331-105.185 117.855-106.417 120.694-128.583 118.948-144.058 110.331-109.790 116.993-120.100 124.685-132.695 121.131 0.000 150.104-106.105 # 143 total E -8.29081E+01 rmsd from N 2.262 %NC 0.47 117.631 173.859 143.197 -8.514 91.158 77.246 139.025 -35.240 91.609 50.180 170.094 16.907 89.325 46.176 141.528 -86.615 89.154 48.795 113.858-126.485 89.511 65.748 136.256 -83.160 89.940 37.642 144.599 169.517 91.498 62.560 97.839 -88.015 92.343 -66.659 135.665-130.156 116.720 -53.169 180.000 180.000 121.169 -59.597 180.000 180.000 92.526 81.398 102.743 -90.056 93.099 134.903 113.183 -76.901 93.015 -68.555 114.980 -77.264 94.958 67.412 180.000 180.000 133.348 -86.877 123.665 -46.193 118.558-101.679 124.904-131.861 116.656-137.920 109.597-110.323 117.664-118.837 124.693-133.041 121.799 0.000 121.601 -80.978 # 144 total E -8.28049E+01 rmsd from N 2.268 %NC 0.60 117.503 172.359 143.708 -8.781 91.222 77.874 139.842 -32.787 91.155 54.811 169.672 21.972 89.033 43.698 145.623 -88.690 89.311 53.463 113.610-124.258 89.768 75.271 139.798 -88.899 90.009 39.413 146.985-175.838 91.576 68.910 101.045-104.120 91.479 -63.749 135.468-123.695 108.411 -64.330 180.000 180.000 102.113 -31.191 180.000 180.000 92.287 102.864 103.862 -98.043 94.031 124.653 111.370 -77.836 93.365 -78.346 114.377 -73.864 95.080 71.276 180.000 180.000 136.992 -82.085 127.305 -49.717 118.978-100.425 121.627-127.093 115.352-139.171 108.227-109.756 117.583-118.878 126.110-135.970 121.024 0.000 148.455-110.138 # 145 total E -8.16601E+01 rmsd from N 2.269 %NC 0.67 118.303 179.591 142.248 -7.530 91.034 72.248 136.432 -51.439 91.798 44.703 170.435 12.092 89.967 50.455 143.980 -91.902 89.247 45.027 117.770-127.310 89.939 58.201 148.153-102.940 89.935 39.428 145.749-167.464 91.928 70.159 106.045-106.196 91.058 -64.061 134.168-129.650 106.730 -65.542 180.000 180.000 97.646 -27.798 180.000 180.000 92.586 107.269 102.776 -96.360 94.040 114.272 123.455-117.008 111.792 -87.249 117.414 -80.179 95.443 69.001 180.000 180.000 130.476 -82.271 114.432-105.118 117.847-106.594 120.380-128.222 118.819-143.891 110.725-110.239 116.948-120.068 124.731-132.609 121.112 0.000 149.923-105.019 # 146 total E -7.63275E+01 rmsd from N 2.270 %NC 0.73 113.047 162.847 150.076-125.326 91.595 76.107 141.293 -30.264 89.944 58.293 134.495 49.869 88.147 46.407 137.637 -96.085 88.386 52.421 118.190-126.846 89.065 60.991 127.205 27.494 89.856 39.934 172.841-162.961 91.438 63.319 111.124 122.888 92.241 -66.129 141.418-115.166 114.678-171.221 180.000 180.000 142.447 -60.349 180.000 180.000 90.971 56.862 102.282-116.858 90.940 40.518 111.905 -77.338 94.076-125.307 109.032 -77.912 95.463 133.216 180.000 180.000 123.229 -73.000 151.181-128.683 116.965-143.439 116.635-124.271 118.030-108.082 141.784-156.878 118.619-117.702 113.503-114.784 120.571 0.000 145.143-121.628 # 147 total E -8.47866E+01 rmsd from N 2.277 %NC 0.67 116.038 165.492 145.978 -16.027 91.377 82.948 143.761 -24.375 91.635 42.815 167.914 19.863 89.332 47.423 145.749 -89.062 89.334 45.649 115.972-131.250 89.777 50.902 165.410 94.238 90.251 40.361 148.286-140.407 92.121 66.558 132.018-137.755 91.483 -69.686 140.080 -43.992 109.899 -54.400 180.000 180.000 112.265 -63.071 180.000 180.000 92.650 74.683 138.150-166.470 92.943 122.185 114.125 -76.584 127.561 -87.504 126.671-133.665 94.664 72.621 180.000 180.000 121.035 -67.329 129.090 -76.702 118.675-110.917 111.060-115.510 120.077-136.903 111.549-111.800 118.194-118.414 121.365-125.918 120.913 0.000 147.165-117.661 # 148 total E -8.14437E+01 rmsd from N 2.277 %NC 0.67 113.728 164.277 152.636-135.036 91.500 68.209 136.471 -41.131 92.109 46.067 176.428-179.539 90.316 48.305 140.357 -98.405 89.620 43.794 115.549-125.445 90.474 58.620 152.951 -94.783 90.055 39.500 140.347-174.974 91.835 69.395 104.606-104.791 91.212 -65.922 133.248-128.787 106.910 -62.925 180.000 180.000 99.522 -31.463 180.000 180.000 92.674 105.525 102.504 -91.750 93.862 117.828 113.517 -77.473 108.471 -82.015 117.972 -80.641 95.354 71.937 180.000 180.000 131.891 -80.312 115.999-104.249 118.088-105.028 121.091-129.128 118.414-143.143 108.786-108.452 117.721-120.338 123.658-131.215 120.961 0.000 149.811-105.978 # 149 total E -8.03648E+01 rmsd from N 2.278 %NC 0.67 115.230 163.336 110.267 -81.551 91.438 72.038 136.929 -55.413 91.826 46.239 169.480 10.907 89.932 50.875 143.645 -89.830 89.232 45.129 118.916-126.014 89.851 54.181 144.164-107.270 90.125 41.297 144.756-165.917 92.564 65.866 128.361-130.129 92.018 -63.580 153.049 -14.750 109.900 -65.527 180.000 180.000 101.570 -29.285 180.000 180.000 92.829 104.816 102.352 -95.441 94.185 114.986 112.532 -77.694 113.334 -89.803 115.721 -77.773 95.254 67.089 180.000 180.000 129.049 -83.198 114.841-104.127 118.110-108.057 117.634-124.188 118.309-143.966 112.638-112.865 116.477-121.017 126.259-135.037 121.760 0.000 122.205 -80.657 # 150 total E -8.89160E+01 rmsd from N 2.288 %NC 0.47 114.760 172.072 152.073-107.207 91.169 74.074 129.578 -22.307 91.166 44.715 92.607 -82.612 90.746 42.942 145.086 -97.806 90.073 43.647 116.848-119.859 90.781 49.711 163.758 25.398 90.554 46.305 131.963-164.878 91.966 74.268 134.091-131.347 90.482 -64.802 131.394-135.123 103.208 -66.161 180.000 180.000 98.833 -32.763 180.000 180.000 92.819 104.053 139.621-168.212 94.453 102.665 112.786 -77.274 123.087 -95.333 118.988 -77.508 94.682 80.468 180.000 180.000 130.346 -69.249 129.215 -92.460 119.051-108.375 109.351-113.430 118.637-139.027 110.745-111.820 117.198-117.958 126.807-135.660 121.658 0.000 121.357 -80.878 # 151 total E -8.91419E+01 rmsd from N 2.297 %NC 0.53 112.047 157.828 153.512 -38.743 92.106 81.445 132.761 -29.756 92.113 41.940 100.935 -80.493 91.250 44.041 149.418 -95.087 90.144 42.607 117.205-118.613 90.820 50.096 163.640 32.360 90.674 46.338 132.107-161.797 92.032 75.104 135.964-130.130 90.348 -64.681 131.128-137.487 102.558 -65.346 180.000 180.000 98.302 -33.185 180.000 180.000 92.853 104.388 139.735-168.818 94.539 103.233 113.111 -77.287 123.302 -95.473 119.203 -77.260 94.742 79.609 180.000 180.000 129.772 -69.994 128.309 -91.516 119.013-108.841 110.170-114.435 119.065-138.788 110.503-111.254 117.411-118.105 125.311-132.877 120.973 0.000 147.747-112.210 # 152 total E -8.93572E+01 rmsd from N 2.303 %NC 0.53 111.839 157.932 153.228 -39.712 92.100 81.458 132.571 -29.607 92.064 42.044 100.702 -80.440 91.240 44.180 149.492 -95.347 90.145 42.455 117.684-118.559 90.867 50.305 163.931 30.160 90.684 46.141 132.108-161.734 92.043 75.122 135.822-130.315 90.407 -64.495 130.735-137.733 102.558 -65.428 180.000 180.000 98.308 -32.975 180.000 180.000 92.855 104.411 139.674-168.493 94.566 103.298 113.187 -77.140 123.112 -95.252 119.273 -77.265 94.763 79.531 180.000 180.000 130.050 -69.600 128.006 -92.241 119.033-108.693 110.034-114.304 118.954-138.498 110.757-111.589 117.318-118.081 125.921-133.905 121.814 0.000 121.449 -80.873 # 153 total E -8.48761E+01 rmsd from N 2.308 %NC 0.67 117.297 173.296 144.645 -8.365 91.258 79.002 139.560 -33.997 92.091 45.046 176.450 175.300 89.937 46.569 141.639 -99.589 89.565 43.711 114.264-126.654 90.728 56.213 176.480-142.299 90.191 40.001 145.510-159.593 91.821 66.892 105.113-105.174 91.466 -71.023 134.311-122.272 109.159 -56.694 180.000 180.000 111.109 -55.391 180.000 180.000 92.827 85.674 138.814-166.715 94.071 119.135 112.992 -76.534 126.070 -85.828 122.561 -81.949 95.012 77.040 180.000 180.000 127.361 -64.598 131.263 -83.820 118.165-107.976 110.564-115.508 119.387-138.808 110.944-111.362 117.760-117.760 125.033-132.414 121.639 0.000 121.127 -80.932 # 154 total E -8.22205E+01 rmsd from N 2.309 %NC 0.60 112.995 163.132 150.141-142.443 91.638 67.193 134.948 -49.874 91.793 59.217 176.430 165.425 89.529 42.799 143.028 -93.909 89.604 49.391 110.190-117.965 90.411 71.250 135.910 -93.023 90.336 39.827 145.260 178.990 91.645 66.805 100.049 -99.610 92.012 -65.699 133.520-132.934 109.883 -60.183 180.000 180.000 103.123 -34.620 180.000 180.000 92.145 99.855 108.016-102.354 93.555 118.541 108.742 -78.113 96.145 -78.312 117.077 -78.965 95.563 80.369 180.000 180.000 133.482 -86.936 121.908-107.141 120.731-107.799 113.577-117.803 115.185-141.642 107.404-108.680 117.125-119.028 128.800-141.045 120.900 0.000 149.028-106.811 # 155 total E -7.07400E+01 rmsd from N 2.317 %NC 0.47 117.758 176.431 144.088 -7.898 91.160 76.822 141.961 -41.739 91.304 50.016 176.443 178.702 88.962 51.426 136.145 -90.779 89.029 46.890 116.669-132.974 89.113 51.562 129.358 -98.363 89.535 54.496 151.792 -32.396 90.341 75.175 132.091-132.363 90.949 -42.878 104.361 -79.917 111.489-164.777 180.000 180.000 142.190 -54.997 180.000 180.000 91.764 52.995 103.044-109.007 92.343 72.279 112.942 -77.150 122.754 -97.203 113.355 -82.309 96.739 76.273 180.000 180.000 135.748-111.157 95.184 -62.571 119.108-107.106 118.975-125.137 116.028-130.247 149.269-168.132 119.386-119.023 115.402-118.118 121.631 0.000 121.716 -80.458 # 156 total E -8.66586E+01 rmsd from N 2.318 %NC 0.60 112.244 158.371 153.211 -37.514 92.047 81.024 131.955 -29.997 92.269 41.728 101.814 -80.683 91.365 43.710 150.681 -95.908 90.299 43.435 117.097-117.300 91.162 48.857 161.461 34.009 90.861 45.898 131.873-152.562 92.178 74.513 136.667-130.140 90.379 -66.817 130.257-137.125 103.154 -65.466 180.000 180.000 98.167 -31.250 180.000 180.000 93.003 104.889 107.437-100.926 94.448 100.937 114.182 -77.323 119.430 -94.444 117.869 -77.064 94.583 79.069 180.000 180.000 130.921 -71.287 125.732 -93.992 119.222-108.569 108.986-112.875 118.507-138.045 112.347-113.344 117.528-118.421 125.136-132.113 120.701 0.000 148.078-112.453 # 157 total E -8.48008E+01 rmsd from N 2.319 %NC 0.60 115.728 169.016 112.898 -81.501 91.607 78.928 141.052 -33.636 91.939 42.512 168.661 16.152 89.847 48.488 143.278 -92.519 89.327 43.404 115.602-129.045 90.253 53.303 176.475 164.140 90.330 40.303 151.853-151.782 92.280 65.164 129.910-134.985 91.696 -69.887 136.452-107.046 110.569 -54.062 180.000 180.000 112.691 -57.218 180.000 180.000 92.768 82.592 138.029-166.042 93.295 123.937 113.087 -76.975 122.898 -87.148 131.816-134.373 94.867 74.256 180.000 180.000 126.255 -64.552 127.889 -84.649 117.842-108.115 111.882-117.308 119.771-137.289 110.927-111.141 118.136-118.437 122.131-127.755 120.787 0.000 147.180-116.779 # 158 total E -8.68711E+01 rmsd from N 2.319 %NC 0.60 112.166 158.522 153.062 -36.980 92.077 81.123 131.930 -30.142 92.303 41.659 101.959 -80.426 91.426 43.717 150.572 -96.204 90.318 43.344 117.155-116.936 91.195 48.940 161.203 31.701 90.848 45.976 131.978-152.466 92.152 74.562 136.616-130.094 90.390 -66.678 130.332-136.911 103.199 -65.696 180.000 180.000 98.224 -31.133 180.000 180.000 93.023 104.849 107.525-101.110 94.395 100.649 114.080 -77.383 119.591 -94.318 117.896 -77.346 94.572 79.180 180.000 180.000 131.111 -71.382 126.121 -94.404 119.228-108.391 109.224-113.213 118.439-137.796 112.234-113.231 117.405-118.476 125.878-133.441 121.877 0.000 121.399 -80.865 # 159 total E -8.68710E+01 rmsd from N 2.319 %NC 0.60 112.208 158.315 153.376 -37.186 92.051 80.943 131.715 -30.155 92.311 41.582 101.731 -80.543 91.397 43.728 150.618 -96.019 90.290 43.389 117.036-117.140 91.180 48.785 161.117 31.920 90.845 45.987 131.909-152.475 92.149 74.412 136.849-130.218 90.392 -66.692 130.347-136.800 103.384 -65.714 180.000 180.000 98.237 -31.188 180.000 180.000 93.025 104.794 107.397-100.673 94.419 100.716 114.119 -77.338 119.566 -94.267 118.099 -77.186 94.624 78.942 180.000 180.000 131.118 -71.385 125.822 -94.407 119.249-108.376 109.178-113.111 118.462-137.939 112.270-113.203 117.445-118.591 125.535-133.005 121.818 0.000 121.478 -81.016 # 160 total E -7.51891E+01 rmsd from N 2.336 %NC 0.47 113.937 166.286 151.162-115.676 91.181 71.482 156.695-113.683 90.343 43.577 124.716 -40.306 89.772 51.271 144.638 -95.578 90.096 45.770 124.941-129.645 90.663 48.650 138.241 99.850 90.853 41.675 142.715-121.227 92.944 70.310 134.795-135.695 92.193 -59.185 144.424-151.481 118.262 -76.439 180.000 180.000 119.132 -45.984 180.000 180.000 92.927 77.607 105.402-102.911 93.353 113.501 113.122 -77.591 115.715 -95.988 129.162-143.944 95.112 67.269 180.000 180.000 127.459 -74.190 116.688 -54.841 115.322-101.466 121.269-129.407 118.034-143.071 111.338-110.824 121.012 -87.739 123.631-130.234 119.139 0.000 114.632 -80.446 # 161 total E -8.82616E+01 rmsd from N 2.336 %NC 0.53 114.946 172.768 152.247-107.284 91.143 73.883 129.668 -23.788 91.307 44.299 93.024 -82.349 90.836 43.100 145.067 -98.188 90.160 43.139 116.656-119.647 90.872 50.118 164.911 23.767 90.533 45.037 132.219-164.870 91.980 73.094 133.734-131.865 90.624 -64.040 132.808-132.134 104.693 -66.822 180.000 180.000 99.533 -32.518 180.000 180.000 92.710 101.848 139.871-168.552 93.333 107.495 112.930 -78.022 121.826 -97.280 122.055-134.945 94.458 77.145 180.000 180.000 129.255 -67.809 125.450 -95.417 118.887-107.566 109.854-114.262 118.475-138.741 110.441-111.354 117.559-118.520 125.282-133.566 120.859 0.000 147.942-111.591 # 162 total E -8.54440E+01 rmsd from N 2.337 %NC 0.60 112.248 157.983 153.137 -37.980 92.055 81.436 132.152 -29.458 92.194 42.265 101.559 -80.611 91.302 43.165 150.617 -96.378 90.329 44.403 117.144-116.753 91.099 47.785 160.205 36.747 91.063 50.281 130.858-151.020 92.387 74.652 127.685-108.704 91.430 -67.060 81.876 -74.239 100.664 -62.939 180.000 180.000 98.524 -27.842 180.000 180.000 92.895 108.171 106.979-100.999 94.209 99.260 121.134-117.464 120.274 -95.720 116.853 -75.285 94.691 80.802 180.000 180.000 131.069 -71.413 125.597 -95.511 119.196-108.454 109.039-113.021 118.407-138.126 112.313-113.306 117.376-118.640 126.058-133.627 121.014 0.000 148.114-111.459 # 163 total E -8.74956E+01 rmsd from N 2.347 %NC 0.53 116.714 169.623 145.070 -11.699 91.486 81.207 133.724 -26.247 93.438 36.834 176.439 178.943 91.925 49.094 141.035 -96.153 90.432 40.795 113.383-125.535 91.073 50.012 163.208 29.899 90.736 45.536 134.708-172.072 92.120 75.893 136.667-128.775 90.193 -65.106 131.604-136.882 102.585 -66.433 180.000 180.000 98.007 -32.006 180.000 180.000 92.991 104.652 139.314-167.747 94.459 102.102 114.009 -76.906 123.287 -95.839 119.093 -77.593 94.640 80.663 180.000 180.000 130.011 -68.704 129.387 -91.367 118.971-107.946 108.882-112.900 118.472-141.211 110.860-111.981 118.367-108.329 126.999-135.212 120.774 0.000 118.868 -80.428 # 164 total E -8.30162E+01 rmsd from N 2.347 %NC 0.53 112.130 156.477 150.613 -41.121 91.982 85.144 140.307 -23.291 90.755 44.768 101.099 -79.597 88.985 47.515 148.816 -95.829 89.184 45.250 122.701-131.199 89.998 49.370 165.022 105.699 90.622 39.584 137.165 -54.151 92.695 66.548 133.595-139.526 91.868 -71.488 143.861 -37.911 110.630 -53.925 180.000 180.000 112.984 -59.285 180.000 180.000 92.833 76.840 103.834-102.627 93.259 121.606 113.924 -77.863 126.783 -89.060 127.535-137.879 94.820 72.007 180.000 180.000 121.405 -68.054 126.375 -88.209 118.523-109.682 112.009-116.884 120.032-137.076 111.209-111.151 117.752-118.301 123.441-129.212 120.830 0.000 147.595-115.038 # 165 total E -8.74963E+01 rmsd from N 2.349 %NC 0.53 116.841 169.888 144.926 -10.246 91.437 80.750 133.865 -26.119 93.391 36.773 176.438 179.040 91.930 49.109 140.909 -96.360 90.438 40.618 113.549-125.520 91.113 50.088 163.675 29.404 90.708 45.249 134.803-172.428 92.120 75.861 136.694-129.090 90.229 -65.176 131.768-136.856 102.606 -66.410 180.000 180.000 98.094 -32.043 180.000 180.000 92.998 104.622 139.244-167.437 94.468 102.205 113.802 -77.101 123.243 -95.609 119.228 -77.359 94.684 80.457 180.000 180.000 130.222 -68.608 129.178 -91.637 118.956-107.847 109.150-113.255 118.503-141.041 110.812-111.962 118.397-108.250 126.891-135.029 120.652 0.000 118.876 -80.310 # 166 total E -8.74944E+01 rmsd from N 2.349 %NC 0.53 116.876 169.949 145.012 -10.263 91.443 80.587 134.023 -26.182 93.414 36.663 176.440 179.054 91.883 49.192 140.945 -96.280 90.435 40.599 113.506-125.686 91.109 50.088 163.891 29.955 90.716 45.098 134.583-172.360 92.120 75.841 136.715-129.081 90.209 -65.175 131.841-136.718 102.579 -66.434 180.000 180.000 98.024 -32.024 180.000 180.000 93.032 104.656 139.231-167.404 94.491 102.267 113.818 -77.127 123.164 -95.689 119.213 -77.354 94.674 80.540 180.000 180.000 130.107 -68.769 129.097 -91.584 118.922-107.870 109.190-113.431 118.551-141.090 110.723-111.766 118.499-108.127 126.621-134.622 120.573 0.000 118.815 -80.164 # 167 total E -8.74962E+01 rmsd from N 2.349 %NC 0.53 117.040 170.123 144.750 -10.991 91.432 80.802 133.726 -26.018 93.406 36.712 176.443 178.677 91.927 49.064 141.018 -96.286 90.450 40.752 113.453-125.560 91.077 50.001 163.198 29.471 90.721 45.484 134.880-171.992 92.101 75.864 136.772-129.248 90.185 -65.203 131.752-136.941 102.677 -66.299 180.000 180.000 98.181 -32.244 180.000 180.000 92.975 104.532 139.115-167.258 94.463 102.213 113.631 -77.080 123.282 -95.651 119.107 -77.569 94.632 80.488 180.000 180.000 130.033 -68.697 129.355 -91.464 118.990-107.927 109.112-113.178 118.478-141.280 110.770-111.935 118.383-108.104 126.841-134.995 120.660 0.000 119.112 -80.174 # 168 total E -8.74951E+01 rmsd from N 2.351 %NC 0.53 116.979 170.092 145.052 -10.338 91.447 80.575 133.770 -25.978 93.410 36.817 176.437 178.959 91.931 48.948 140.765 -96.280 90.448 40.741 113.434-125.321 91.090 50.022 163.237 29.294 90.704 45.447 134.890-172.540 92.148 75.768 136.732-129.061 90.253 -65.086 131.751-136.207 102.703 -66.405 180.000 180.000 98.075 -32.195 180.000 180.000 92.977 104.615 138.781-166.848 94.452 102.122 113.762 -77.039 123.298 -95.328 118.948 -77.395 94.669 80.347 180.000 180.000 130.192 -68.672 129.346 -91.648 118.972-107.791 108.944-113.065 118.543-141.163 110.842-112.014 118.346-108.409 127.078-135.309 120.815 0.000 118.879 -80.313 # 169 total E -7.46339E+01 rmsd from N 2.352 %NC 0.60 113.756 164.245 152.000-128.739 91.285 71.049 153.145-126.655 89.895 47.959 121.839 -37.550 89.625 51.718 142.229 -96.411 89.547 46.643 122.486-131.438 90.470 48.468 139.045 37.802 90.576 47.062 145.720-114.302 91.829 70.747 135.551-136.081 92.235 -93.692 137.441-124.465 124.026 -73.506 180.000 180.000 105.585 -23.381 180.000 180.000 92.392 93.125 99.147 -90.292 93.726 75.508 110.714 -78.203 112.318-100.255 126.070-124.698 94.950 60.619 180.000 180.000 134.896 -83.954 142.562 137.981 118.465-106.017 114.999-119.929 118.198-137.596 128.657-133.266 119.074-117.138 115.854-117.869 121.634 0.000 120.981 -80.950 # 170 total E -8.62917E+01 rmsd from N 2.363 %NC 0.67 112.413 158.616 153.545 -36.874 92.052 80.740 131.963 -30.581 92.336 41.264 102.066 -80.706 91.410 44.147 150.523 -95.832 90.328 42.725 116.884-118.204 91.183 49.477 162.690 33.936 90.795 44.929 132.435-153.810 92.103 73.358 136.568-131.728 90.564 -65.437 132.452-134.284 104.725 -66.116 180.000 180.000 99.093 -31.806 180.000 180.000 92.786 102.112 108.937-104.851 93.490 106.555 113.529 -78.823 119.396 -96.341 120.330-137.628 94.260 75.285 180.000 180.000 129.145 -69.412 122.514 -95.793 118.977-107.934 109.708-113.937 118.620-137.423 111.874-112.606 117.669-118.282 124.076-131.095 120.784 0.000 147.633-113.381 # 171 total E -8.17198E+01 rmsd from N 2.368 %NC 0.53 113.382 166.672 148.374-104.871 91.530 74.702 136.318 -23.564 92.774 38.683 176.431-179.861 91.351 47.752 138.651 -97.146 90.129 42.853 113.608-125.747 90.646 50.502 166.119 35.173 90.609 44.020 142.369 -43.343 92.336 74.152 133.774-134.454 90.390 -67.546 131.274-135.798 102.882 -64.836 180.000 180.000 97.724 -31.944 180.000 180.000 93.076 105.480 107.316 -99.143 94.389 103.078 113.964 -77.361 120.689 -93.166 117.666 -77.660 94.506 80.182 180.000 180.000 130.987 -68.426 126.374 -94.485 118.950-107.393 107.923-111.757 117.707-141.316 111.592-113.049 118.257-107.003 128.752-138.070 120.528 0.000 118.620 -80.168 # 172 total E -8.57794E+01 rmsd from N 2.368 %NC 0.60 115.005 173.931 152.219-106.299 91.165 73.573 129.306 -24.377 91.432 44.230 93.363 -81.921 90.950 42.722 145.811 -98.761 90.195 43.742 116.551-118.332 90.977 49.607 163.770 24.459 90.635 44.788 132.223-160.320 92.013 72.417 133.630-131.605 90.696 -65.114 131.681-132.882 105.385 -66.127 180.000 180.000 99.459 -31.888 180.000 180.000 92.725 102.122 109.789-106.178 93.443 106.647 113.122 -78.697 119.290 -95.463 120.472-136.823 94.332 76.400 180.000 180.000 129.892 -68.276 123.318 -97.609 118.959-107.294 109.385-113.599 118.137-138.127 111.353-112.335 117.531-118.282 125.550-133.780 120.825 0.000 147.838-111.560 # 173 total E -8.51629E+01 rmsd from N 2.372 %NC 0.60 112.684 157.934 151.127 -36.308 91.843 82.334 127.924 -20.402 91.902 42.665 103.953 -87.635 91.180 44.605 153.201 -97.362 90.591 42.781 116.872-121.165 91.902 51.690 128.802 41.006 90.763 41.704 135.380-138.852 91.954 67.116 134.082-134.016 93.692-105.917 136.047-137.267 133.164 -73.139 180.000 180.000 125.967 -47.509 180.000 180.000 92.671 62.844 97.619 -81.166 93.437 81.116 113.354 -76.903 123.631 -97.851 114.042 -81.780 96.047 64.440 180.000 180.000 132.672 -93.162 154.343 -47.747 120.689-113.601 105.546-106.655 117.452-139.612 123.977-128.927 116.096-118.848 133.188-142.677 121.009 0.000 148.830-104.993 # 174 total E -8.51601E+01 rmsd from N 2.372 %NC 0.60 112.779 158.061 150.574 -38.180 91.843 82.469 127.706 -20.598 91.932 42.719 103.543 -87.729 91.200 44.530 153.271 -97.361 90.574 42.890 116.793-120.892 91.882 51.667 128.674 40.649 90.736 41.836 135.367-138.868 91.907 67.110 133.944-134.024 93.617-105.893 135.920-137.509 133.195 -72.694 180.000 180.000 126.191 -47.683 180.000 180.000 92.697 62.582 97.675 -81.055 93.472 81.902 113.440 -76.886 123.736 -97.764 114.401 -81.937 96.007 63.958 180.000 180.000 132.790 -92.631 153.892 -48.457 120.657-113.689 105.446-106.542 117.547-139.472 123.637-128.458 116.082-118.421 133.228-142.827 121.165 0.000 149.000-105.317 # 175 total E -7.97079E+01 rmsd from N 2.373 %NC 0.73 113.511 164.054 150.835-124.113 91.274 70.747 153.311-113.708 90.213 48.139 122.783 -40.334 90.229 46.569 142.303 -88.724 89.708 45.107 119.431-124.466 90.051 56.114 109.043 -58.757 90.264 43.254 156.410-137.739 92.515 61.787 129.426-138.312 92.268 -64.250 148.755-130.143 112.716 -63.012 180.000 180.000 102.274 -26.691 180.000 180.000 92.682 102.290 103.262 -96.684 94.061 121.393 113.233 -77.394 115.587 -93.002 118.923 -85.100 95.107 60.064 180.000 180.000 125.715 -81.475 89.932 -66.722 116.047-108.753 119.643-127.674 120.952-141.219 110.614-108.172 116.531-141.441 116.327-120.843 119.842 0.000 144.725-176.163 # 176 total E -8.70508E+01 rmsd from N 2.377 %NC 0.60 117.009 170.266 144.937 -10.804 91.442 80.480 134.162 -26.213 93.490 36.205 176.445 179.444 91.978 49.579 141.036 -96.275 90.512 40.211 113.527-125.916 91.153 50.411 163.951 31.673 90.718 44.530 135.334-171.283 92.097 74.803 136.725-130.127 90.322 -64.464 133.419-133.520 103.949 -66.849 180.000 180.000 98.746 -32.388 180.000 180.000 92.858 102.333 139.191-167.316 93.392 107.083 113.338 -78.039 122.110 -98.037 121.514-134.716 94.317 77.126 180.000 180.000 128.750 -67.056 125.816 -92.507 118.899-107.563 109.262-113.342 118.525-140.599 110.749-111.873 118.658-108.271 125.419-132.965 120.886 0.000 118.958 -80.373 # 177 total E -8.06319E+01 rmsd from N 2.378 %NC 0.67 115.762 163.504 146.439 -17.061 91.580 83.625 140.900 -14.885 92.910 33.315 170.509 12.236 91.916 53.209 145.633 -94.506 90.548 41.167 116.159-129.820 91.239 51.977 127.321 34.066 90.653 38.746 143.979-148.223 92.069 69.599 134.884-133.893 93.024 -92.461 135.251-128.944 134.816 -77.441 180.000 180.000 131.740 -55.923 180.000 180.000 93.006 57.019 97.012 -80.274 92.810 84.475 113.622 -76.879 125.499 -96.502 112.036 -88.895 96.138 68.201 180.000 180.000 129.679 -97.396 107.108-122.698 119.877-112.756 105.192-106.491 115.003-146.976 122.487-128.833 117.065-112.766 135.800-147.965 120.127 0.000 145.808 -85.240 # 178 total E -7.45667E+01 rmsd from N 2.378 %NC 0.47 114.004 164.393 153.021-139.065 91.507 68.397 133.178 -44.887 92.007 45.178 176.405-178.741 90.647 50.766 138.829-101.542 89.667 42.949 108.040 -45.020 90.445 52.869 155.702-125.244 89.641 50.413 146.496 -46.384 91.027 80.921 131.521-137.289 89.959 -57.450 134.424-114.430 107.652 -79.775 180.000 180.000 104.117 -27.615 180.000 180.000 92.374 96.604 104.088-104.745 93.896 66.565 111.093 -79.137 94.519 -99.053 119.337-135.257 93.766 156.941 180.000 180.000 137.573 -90.412 136.212-110.656 116.349-106.716 115.819-124.377 120.398-139.386 111.512-110.352 116.656-118.809 131.055-140.951 121.763 0.000 121.675 -80.970 # 179 total E -8.74161E+01 rmsd from N 2.379 %NC 0.53 116.714 169.484 145.313 -11.166 91.428 79.681 135.426 -26.634 93.140 35.152 172.447 14.604 91.929 50.093 142.782 -92.943 90.184 41.579 114.742-125.297 90.638 50.213 163.655 29.698 90.688 45.135 136.549-173.998 92.172 76.037 136.957-129.315 90.277 -64.950 132.046-136.987 102.579 -66.144 180.000 180.000 98.051 -32.300 180.000 180.000 93.009 104.921 139.350-167.711 94.549 102.343 113.719 -77.066 122.573 -95.639 119.461 -77.130 94.760 79.836 180.000 180.000 130.657 -68.782 128.128 -92.196 118.615-107.763 110.708-115.424 119.436-143.066 110.874-111.386 118.833-102.480 126.189-133.434 120.215 0.000 117.661 -79.836 # 180 total E -8.74159E+01 rmsd from N 2.380 %NC 0.53 116.630 169.091 145.520 -12.065 91.453 80.032 135.329 -26.915 93.212 35.173 172.479 14.052 91.924 50.094 142.838 -92.714 90.183 41.494 114.632-125.134 90.642 50.287 163.548 29.292 90.678 45.131 136.673-174.176 92.165 76.189 136.996-129.300 90.255 -64.905 131.987-137.395 102.468 -66.204 180.000 180.000 97.992 -32.169 180.000 180.000 93.023 105.010 139.317-167.629 94.482 102.221 113.971 -76.980 122.533 -95.863 119.603 -77.112 94.781 80.055 180.000 180.000 130.466 -68.842 128.187 -92.272 118.603-107.703 110.627-115.361 119.409-142.990 110.837-111.360 118.875-102.809 126.383-133.695 120.019 0.000 117.525 -79.893 # 181 total E -8.32921E+01 rmsd from N 2.380 %NC 0.60 117.018 168.878 143.954 -10.969 91.156 81.710 127.966 -14.169 93.351 36.961 176.439 178.505 92.002 51.700 144.287 -99.620 90.566 40.042 115.079-127.885 91.910 53.789 128.689 36.049 90.670 40.778 142.766-144.969 91.990 68.874 133.284-133.902 93.570-101.274 136.123-136.800 134.002 -73.971 180.000 180.000 126.714 -48.747 180.000 180.000 92.788 61.661 97.203 -80.354 93.661 85.584 113.578 -76.904 124.807 -99.035 115.979 -82.120 96.009 64.883 180.000 180.000 131.591 -90.554 152.874 -44.861 120.377-113.114 104.897-105.850 116.814-141.116 124.079-129.512 117.110-108.798 134.328-144.093 120.834 0.000 119.139 -80.462 # 182 total E -8.71923E+01 rmsd from N 2.381 %NC 0.53 116.267 175.787 114.058 -81.076 91.700 81.008 135.332 -27.496 92.989 35.935 172.615 13.780 91.915 49.758 142.460 -92.465 90.226 41.595 116.239-124.054 90.674 50.064 163.456 31.065 90.722 45.319 136.635-174.952 92.163 76.122 137.070-129.040 90.272 -65.152 131.915-137.693 102.453 -65.980 180.000 180.000 97.989 -32.180 180.000 180.000 93.037 105.083 139.090-167.132 94.488 102.055 113.848 -76.999 122.286 -95.893 119.405 -77.048 94.802 80.182 180.000 180.000 130.484 -68.489 128.177 -92.379 118.584-107.883 110.186-114.807 119.403-142.952 110.893-111.468 118.692-102.732 126.878-134.449 119.932 0.000 117.335 -79.781 # 183 total E -8.74168E+01 rmsd from N 2.381 %NC 0.53 116.751 169.622 145.072 -10.821 91.412 79.626 135.348 -26.483 93.151 35.183 172.517 14.362 91.937 50.024 142.699 -92.991 90.186 41.547 114.708-125.188 90.652 50.226 163.472 29.048 90.703 45.140 136.730-174.096 92.178 76.144 136.946-129.349 90.281 -64.829 131.952-137.183 102.532 -66.267 180.000 180.000 97.997 -32.112 180.000 180.000 93.039 104.915 139.285-167.669 94.509 102.260 113.868 -77.083 122.354 -95.820 119.520 -77.024 94.765 80.146 180.000 180.000 130.485 -68.834 128.250 -92.525 118.587-107.649 110.643-115.330 119.367-143.081 110.758-111.403 118.836-102.491 126.402-133.744 120.019 0.000 117.704 -79.446 # 184 total E -8.74154E+01 rmsd from N 2.382 %NC 0.53 116.746 169.818 144.972 -10.941 91.416 79.573 135.417 -26.483 93.125 35.254 172.479 14.338 91.885 50.156 142.598 -92.619 90.192 41.444 114.864-125.344 90.666 50.283 164.114 29.582 90.687 44.964 136.416-174.430 92.165 75.906 137.034-129.521 90.294 -64.987 131.948-137.175 102.598 -66.230 180.000 180.000 97.986 -32.070 180.000 180.000 93.030 105.126 139.262-167.564 94.519 102.195 113.981 -77.148 122.476 -95.954 119.849 -76.990 94.814 80.153 180.000 180.000 130.382 -68.839 128.019 -92.477 118.556-107.618 110.630-115.449 119.446-142.978 110.778-111.396 118.895-102.184 126.190-133.369 119.991 0.000 117.626 -80.049 # 185 total E -8.49716E+01 rmsd from N 2.384 %NC 0.67 112.625 157.743 150.313 -37.451 91.856 83.070 129.340 -18.668 91.617 43.060 103.866 -87.548 90.767 44.870 152.951 -96.660 90.419 43.778 116.704-125.103 91.501 51.286 129.005 43.083 90.415 43.018 133.464-142.494 91.751 65.625 134.413-139.195 94.005-110.034 141.664 -25.622 131.889 -70.900 180.000 180.000 125.673 -46.835 180.000 180.000 92.734 63.471 98.613 -83.122 93.462 79.456 134.967-109.511 123.988 -97.462 113.754 -81.688 96.165 64.360 180.000 180.000 133.151 -93.322 154.795 -52.935 120.755-113.429 105.394-106.442 117.272-139.827 124.389-129.722 116.017-118.441 134.224-144.367 121.048 0.000 149.051-104.295 # 186 total E -8.08731E+01 rmsd from N 2.385 %NC 0.67 114.321 165.447 153.314-128.696 91.361 69.300 122.143 -32.756 93.097 43.898 174.502 169.165 91.203 43.316 140.005-100.265 90.017 43.065 112.566-117.688 90.853 57.599 154.330 -29.322 90.351 38.534 150.535 -44.582 91.783 67.929 99.520-101.417 91.844 -64.785 132.389-126.822 114.784 -46.453 180.000 180.000 123.576 -62.975 180.000 180.000 93.022 66.622 138.765-168.197 93.420 129.606 114.822 -77.034 111.527 -70.257 134.525-162.614 94.968 59.560 180.000 180.000 118.707-103.636 117.525-103.122 119.370-118.217 116.632-122.074 120.146-141.377 115.318-115.809 116.613-138.529 116.688-118.359 120.276 0.000 147.145-165.637 # 187 total E -8.43503E+01 rmsd from N 2.385 %NC 0.53 93.954 100.598 158.432-153.008 91.314 61.223 138.884 -42.764 91.368 55.196 176.445 173.414 89.845 43.993 136.826 -91.460 89.745 47.911 111.213-122.475 90.395 63.513 131.616 -91.787 90.016 38.874 138.070 168.383 91.428 60.451 95.808 -81.602 92.500 -71.354 136.789-122.267 118.215 -43.934 180.000 180.000 119.680 -61.281 180.000 180.000 92.631 74.961 103.516 -84.602 92.468 125.982 113.213 -76.780 94.814 -64.775 118.217 -81.742 95.491 77.294 180.000 180.000 130.813 -92.028 120.083-120.737 120.323-106.324 115.131-120.287 113.723-143.357 108.515-110.585 116.972-118.305 130.680-144.483 121.754 0.000 121.556 -80.697 # 188 total E -8.64297E+01 rmsd from N 2.388 %NC 0.60 116.638 169.331 145.681 -12.161 91.466 79.634 136.185 -27.607 93.337 34.472 171.556 13.775 92.089 50.451 143.003 -92.497 90.295 40.757 114.360-125.260 90.738 50.699 165.063 32.276 90.687 44.081 137.519-174.263 92.110 74.491 137.249-130.672 90.418 -64.607 133.593-133.816 104.127 -66.591 180.000 180.000 98.880 -32.514 180.000 180.000 92.858 102.395 139.601-167.896 93.441 107.232 113.559 -78.173 121.652 -98.009 121.909-135.802 94.512 76.519 180.000 180.000 128.871 -68.158 124.675 -93.392 118.550-107.080 111.287-116.142 119.196-140.969 110.567-111.115 118.816-115.892 123.328-129.633 120.772 0.000 145.634-110.588 # 189 total E -8.32934E+01 rmsd from N 2.389 %NC 0.60 116.991 169.034 143.876 -10.551 91.140 81.436 128.090 -14.093 93.347 36.922 176.440 178.638 91.972 51.612 144.232 -99.381 90.545 40.082 115.007-127.908 91.919 53.835 128.893 36.344 90.650 40.798 142.830-145.158 91.981 68.688 133.188-133.616 93.631-102.316 136.195-136.611 134.179 -73.437 180.000 180.000 126.550 -48.366 180.000 180.000 92.735 62.129 97.310 -80.591 93.620 85.074 113.730 -77.012 124.518 -99.130 116.256 -82.130 96.033 64.572 180.000 180.000 131.901 -90.315 152.718 -47.321 120.398-112.901 104.828-105.860 116.707-140.928 124.301-129.853 117.045-108.794 134.504-144.475 120.797 0.000 118.983 -80.412 # 190 total E -8.30536E+01 rmsd from N 2.392 %NC 0.60 116.563 177.323 113.336 -80.015 91.498 82.262 128.982 -14.998 93.238 37.187 176.441 179.774 92.009 51.437 143.818 -99.194 90.564 40.201 115.754-127.400 91.890 53.706 128.902 36.807 90.669 40.970 142.785-146.575 91.957 68.396 133.185-133.895 93.648-102.986 136.191-136.843 134.120 -73.684 180.000 180.000 126.175 -47.888 180.000 180.000 92.688 62.638 97.362 -80.708 93.594 84.032 113.429 -76.946 124.145 -99.264 115.838 -81.986 96.028 64.886 180.000 180.000 132.127 -90.306 152.758 -48.244 120.454-112.947 104.628-105.558 116.565-141.254 124.479-130.255 116.955-108.965 134.857-145.181 120.965 0.000 119.165 -80.409 # 191 total E -8.09879E+01 rmsd from N 2.393 %NC 0.67 115.766 163.616 146.343 -17.054 91.591 83.444 140.334 -14.032 93.008 32.941 170.858 11.193 92.008 53.234 146.011 -94.606 90.567 41.429 116.062-129.489 91.318 52.001 128.415 35.092 90.708 38.197 143.239-146.271 92.165 69.529 134.533-133.671 93.216 -93.624 135.322-128.759 134.878 -75.993 180.000 180.000 132.195 -56.286 180.000 180.000 93.031 56.784 97.042 -80.558 92.892 85.093 113.816 -76.861 126.147 -96.273 112.796 -89.045 96.158 67.787 180.000 180.000 129.122 -98.024 106.657-122.960 119.729-112.455 106.956-108.849 116.201-144.060 122.456-127.830 116.189-113.505 135.829-148.342 120.986 0.000 120.444 -79.961 # 192 total E -8.26043E+01 rmsd from N 2.393 %NC 0.60 116.133 166.970 146.265 -15.609 91.543 81.310 138.996 -22.915 93.081 34.072 170.056 12.587 92.070 52.519 145.325 -93.600 90.450 40.562 115.439-127.078 91.287 53.012 125.015 35.350 90.595 42.073 146.756-151.879 91.805 69.292 135.606-134.089 93.227 -98.857 137.175-136.218 134.461 -74.026 180.000 180.000 125.236 -50.001 180.000 180.000 92.778 63.062 97.879 -82.341 93.703 83.798 135.463-108.757 122.115 -98.213 115.345 -81.276 96.011 63.849 180.000 180.000 132.680 -92.219 151.670 -49.975 120.578-112.321 103.650-104.067 115.051-146.226 123.591-130.392 117.027-112.726 135.511-146.928 120.225 0.000 145.936 -84.621 # 193 total E -8.34384E+01 rmsd from N 2.399 %NC 0.60 114.949 174.571 151.813-103.689 91.172 75.345 136.141 -26.308 90.908 45.166 95.155 -80.841 89.416 45.254 144.078 -97.249 89.488 45.483 117.714-126.903 90.360 50.049 167.074 110.233 90.770 41.192 138.025 -52.081 92.816 70.598 131.702-134.674 91.250 -68.579 132.102-135.536 104.306 -62.781 180.000 180.000 98.267 -33.344 180.000 180.000 92.960 104.172 106.650-102.921 93.840 111.406 113.898 -79.209 122.140 -97.822 122.094-143.587 94.795 74.567 180.000 180.000 127.185 -66.750 120.584 -96.228 117.838-109.387 110.174-115.182 119.255-136.479 110.934-111.199 117.858-118.497 122.615-128.658 120.891 0.000 147.313-114.868 # 194 total E -8.33969E+01 rmsd from N 2.400 %NC 0.73 116.462 167.530 144.534 -12.672 91.250 82.936 129.993 -13.653 93.201 37.278 176.444 178.828 91.736 51.670 144.233 -99.137 90.409 41.202 114.785-129.729 91.544 53.486 129.227 38.844 90.342 42.004 140.534-149.141 91.785 67.824 133.411-138.617 93.975-106.185 141.237 -27.242 132.271 -71.921 180.000 180.000 125.899 -47.340 180.000 180.000 92.725 63.039 97.376 -80.891 93.656 83.101 113.639 -76.961 125.233 -98.464 115.951 -81.745 96.134 64.248 180.000 180.000 132.248 -91.250 153.355 -51.680 120.474-112.612 105.204-106.391 116.589-141.377 124.548-130.295 117.068-107.914 134.814-144.925 120.566 0.000 118.956 -80.296 # 195 total E -8.20473E+01 rmsd from N 2.400 %NC 0.53 116.880 170.023 145.583 -10.101 91.379 80.575 138.519 -29.618 92.677 39.532 176.433-179.088 90.384 50.232 140.667 -96.024 89.702 43.892 115.245-130.279 90.511 50.577 168.115 101.732 90.876 41.218 139.392 -49.433 92.909 72.668 132.906-134.418 90.949 -69.779 130.269-137.847 102.422 -62.061 180.000 180.000 96.896 -33.281 180.000 180.000 93.254 107.291 106.851 -99.849 94.907 105.261 114.093 -77.433 121.523 -94.627 119.906 -76.268 95.018 78.812 180.000 180.000 129.419 -68.291 123.452 -93.172 118.020-109.338 109.388-113.994 119.206-140.685 111.313-111.803 119.216-103.718 124.076-129.844 120.263 0.000 117.865 -80.011 # 196 total E -8.13262E+01 rmsd from N 2.404 %NC 0.60 113.246 167.082 148.395-104.338 91.509 74.459 136.465 -23.683 92.791 38.004 176.434-179.298 91.473 48.582 138.825 -97.520 90.182 41.961 114.006-126.409 90.702 51.255 167.755 36.006 90.562 42.883 142.800 -43.415 92.294 72.995 133.374-134.828 90.501 -66.434 132.510-133.679 104.461 -65.560 180.000 180.000 98.557 -32.286 180.000 180.000 92.856 102.941 108.605-103.235 93.516 108.128 113.722 -78.758 120.113 -95.678 120.453-137.491 94.239 77.039 180.000 180.000 129.209 -66.578 123.120 -95.524 118.715-106.981 108.593-112.722 117.918-140.892 111.294-112.609 118.633-106.484 126.722-134.943 120.562 0.000 118.763 -80.214 # 197 total E -7.91759E+01 rmsd from N 2.408 %NC 0.53 114.011 165.213 152.461-124.636 91.226 69.941 153.741-117.613 90.049 46.748 122.890 -40.043 89.535 48.363 145.273 -96.670 89.367 48.119 121.033-125.976 90.543 51.347 124.855 37.598 90.173 42.358 144.685-117.225 91.927 68.091 130.116-136.935 93.323-100.629 140.931-119.519 134.407 -73.235 180.000 180.000 124.590 -47.513 180.000 180.000 92.752 64.713 97.258 -81.085 94.076 82.175 113.381 -77.005 124.781 -96.709 117.937 -80.813 96.174 60.114 180.000 180.000 130.290 -98.753 150.323 -41.674 120.117-109.819 112.233-115.385 117.915-138.733 123.098-126.561 117.440-118.829 125.343-129.919 120.972 0.000 147.417-114.033 # 198 total E -8.37067E+01 rmsd from N 2.412 %NC 0.60 111.132 156.692 151.962 -46.893 92.108 79.225 126.907 -32.044 92.894 36.954 95.602 -79.725 92.857 47.338 149.870 -95.082 90.908 38.653 116.606-119.348 91.855 52.275 130.998 -32.497 90.654 42.122 137.445-150.801 92.158 70.591 137.503-134.449 91.037 -65.255 138.139-133.444 111.450 -71.672 180.000 180.000 102.645 -22.763 180.000 180.000 93.115 100.190 104.118-100.584 93.596 110.330 114.217 -77.568 125.180-113.975 132.534-130.745 95.288 83.711 180.000 180.000 133.375 -72.315 125.947-106.908 117.615-107.251 116.077-123.188 121.168-135.951 110.480-108.478 118.446-118.493 118.821-122.554 121.822 0.000 121.571 -81.034 # 199 total E -8.69920E+01 rmsd from N 2.414 %NC 0.60 116.544 169.862 144.933 -10.839 91.431 79.244 135.573 -26.780 93.231 34.513 172.335 14.011 92.059 50.670 142.795 -92.874 90.253 40.933 114.852-125.459 90.704 50.621 164.478 30.347 90.662 44.064 137.343-173.047 92.156 74.808 137.128-130.524 90.407 -64.141 134.022-133.756 104.041 -66.926 180.000 180.000 98.842 -32.447 180.000 180.000 92.860 102.579 139.367-167.708 93.412 107.022 113.554 -78.161 121.743 -98.066 122.331-135.371 94.447 76.625 180.000 180.000 128.949 -67.656 124.902 -93.738 118.451-106.988 111.123-115.903 119.369-142.641 110.636-111.255 119.139-102.156 124.383-131.014 120.007 0.000 117.587 -80.067 # 200 total E -8.69930E+01 rmsd from N 2.414 %NC 0.60 116.759 169.438 145.166 -11.338 91.448 79.629 135.494 -27.051 93.242 34.505 172.372 14.069 92.045 50.795 143.012 -92.747 90.250 40.868 114.876-125.657 90.700 50.692 164.625 31.385 90.680 44.020 137.388-172.816 92.139 74.894 137.192-130.489 90.399 -64.141 133.758-134.057 103.957 -66.765 180.000 180.000 98.665 -32.365 180.000 180.000 92.899 102.618 139.386-167.646 93.462 107.131 113.650 -77.968 121.636 -97.971 121.640-135.899 94.493 76.467 180.000 180.000 129.039 -67.499 124.695 -93.615 118.434-107.114 111.126-116.067 119.358-142.571 110.658-111.185 119.167-102.231 124.192-130.653 120.028 0.000 117.317 -79.980