jlee = 1 nbank = 100 nstep = 40300 25488668 0 1512.21957 nglob_csa = 70 eglob_csa = -2.46939E+02 # 1 total E -2.33495E+02 rmsd from N 0.000 %NC 0.00 1 93.722 97.716 138.912-104.256 93.481 48.837 139.517-102.488 92.079 40.184 143.417-133.574 92.426 39.213 129.446 -76.227 93.207 43.268 145.755-152.399 94.808 30.454 139.517-150.313 94.519 35.891 131.023 -85.890 91.381 43.374 141.665 -88.054 90.326 48.166 144.254 -42.707 90.763 49.131 137.431-140.517 92.907 39.977 148.174-107.555 93.723 36.789 101.919-113.207 93.716 39.765 142.652-132.065 93.103 37.441 146.084-114.309 93.641 69.203 143.516-137.493 92.875 57.705 133.308 -93.539 93.348 58.685 132.524 -89.456 94.830-113.335 138.419-110.097 94.777 105.322 140.429-111.762 118.754-126.964 151.657 -20.003 92.911 -17.772 0.000 0.000 121.963-176.525 157.569 177.244 93.617 49.437 142.263 -89.594 93.820 29.876 136.316-105.233 94.487 51.100 117.195 -76.217 92.386 34.163 148.056-114.752 94.551 51.010 139.602-105.768 95.099 -19.945 144.287-126.940 123.668-158.918 153.018 -17.657 92.757 63.088 99.935-114.813 91.286 48.869 116.068 -76.201 92.413 75.005 137.185 -97.392 90.732 48.073 115.096 -76.164 92.194 38.660 129.354 -76.127 90.198 40.546 142.636-132.321 91.452 44.896 145.900 -40.315 89.999 39.641 147.235-115.870 91.657 39.873 129.317 -76.107 91.556 51.504 130.285 -80.142 92.381 39.103 129.014 -75.939 93.656 33.329 137.646 -85.358 93.971 40.818 136.842 -93.713 92.580 49.381 145.670 -41.190 90.735 49.918 143.430-137.710 90.849 79.263 142.271-122.820 93.019 0.000 129.305 -76.216 # 2 total E -2.27150E+02 rmsd from N 0.000 %NC 0.00 1 93.622 59.946 137.991-103.893 93.580 60.304 139.793-105.350 93.556 39.325 150.065 -32.160 92.276 42.689 129.859 -76.576 92.725 44.866 136.984 -25.322 92.872 36.572 139.468-152.887 93.428 42.625 129.891 -86.605 93.513-133.492 139.974 -87.536 108.936 153.687 151.359 -27.405 99.085 132.252 138.719-141.194 92.516 114.323 147.215-109.251 119.464 -42.035 121.140-129.008 92.854 161.603 143.420-134.108 121.268-172.367 158.062-139.328 107.193 -85.693 147.999-145.036 93.797 57.890 134.051 -90.193 93.370 48.555 133.456 -87.647 92.865 49.628 137.233-100.878 91.940 43.725 132.070 -39.329 91.419 43.708 143.442-134.366 91.687 45.890 0.000 0.000 92.018 41.084 133.865-117.504 93.302 38.226 139.870 -92.686 93.152 38.035 136.277-104.725 92.570 41.430 115.257 -76.379 92.263 54.688 149.471-125.211 93.306 59.443 139.004 -97.180 93.951 -15.112 109.368 -83.602 120.191-137.032 152.371 -18.957 119.420 116.193 121.725-130.052 91.271 48.220 115.984 -76.169 92.736 60.269 137.996-106.282 90.303 42.447 115.880 -75.745 92.515 37.819 129.388 -76.185 91.328 38.256 142.921-133.043 91.102 46.824 145.635 -40.654 90.814 41.023 144.275 -42.951 91.884 36.250 129.298 -76.110 92.153 44.392 130.368 -85.150 92.276 41.530 129.250 -76.175 92.402 37.199 138.452 -78.352 92.653 40.641 137.265 -91.643 91.199 46.316 145.941-112.845 91.472 42.445 142.374-131.854 92.466 65.034 142.985-124.510 93.019 0.000 129.405 -76.259 # 3 total E -2.41973E+02 rmsd from N 0.000 %NC 0.00 1 93.692 55.465 139.291-110.889 93.701 48.531 140.166-105.969 94.618 31.539 143.855-133.949 92.632 43.467 129.532 -76.208 92.418 41.034 138.938-151.900 91.305 37.461 140.441-155.422 91.639 40.651 128.836 -87.728 88.089 43.111 137.165 -87.470 90.000 48.197 142.501-100.533 90.637 52.658 136.734-141.420 92.523 60.379 146.613 -39.747 119.365 -71.667 121.350-129.028 94.460 176.579 143.655-134.504 110.367 157.916 152.344 -26.268 105.232 -91.542 147.224-143.295 93.754 51.666 134.046 -90.378 93.335 57.319 133.468 -87.487 92.835 72.649 135.884 -96.012 91.582 53.003 137.785 -39.078 90.757 42.088 143.375-134.742 90.879 46.864 0.000 0.000 90.826 57.382 136.853-121.428 91.369 38.576 138.500 -90.865 92.787 38.994 136.230-104.487 92.031 42.996 115.345 -76.205 91.416 49.428 149.762-130.882 92.701 35.310 140.914-108.601 91.213 57.750 142.489-123.767 93.454 46.285 143.048-122.987 119.670 146.637 122.516-130.676 91.673 43.900 116.099 -76.200 93.511 41.847 137.437-102.722 92.127 37.707 116.218 -75.716 92.689 40.761 129.348 -76.206 91.140 39.377 142.542-132.691 92.063 41.262 145.701 -39.710 91.868 38.205 144.933 -40.650 92.322 38.260 129.377 -76.200 92.786 43.149 130.092 -87.612 92.683 36.437 129.305 -76.225 93.107 39.320 138.857 -77.827 93.112 39.093 137.221 -91.015 92.019 46.278 144.942 -41.207 91.575 42.081 142.421-133.477 92.454 63.371 143.026-124.178 93.022 0.000 129.413 -76.268 # 4 total E -2.38736E+02 rmsd from N 0.000 %NC 0.00 1 93.670 77.753 138.890-104.806 93.373 53.828 139.531-101.540 92.539 36.866 143.544-133.827 92.395 43.352 129.567 -76.212 92.029 38.264 137.878-146.251 90.768 39.176 137.842-147.688 91.702 45.390 129.089-103.060 87.923 44.442 138.812 -83.030 89.823 43.566 145.052-112.510 91.560 59.359 137.941-139.377 93.450 178.742 145.651 -38.706 91.902 74.015 100.707-114.485 90.290 48.653 142.026-130.985 92.073 48.641 144.387 -39.573 91.085 39.815 142.176-136.922 92.518 44.504 133.282 -93.556 92.449 49.692 130.369 -86.157 92.657 87.356 133.374 -86.942 91.706 51.812 136.897-116.936 92.071 30.521 143.481-133.297 113.744 -54.119 0.000 0.000 127.134 169.901 157.503 172.317 92.762 56.599 139.598 -87.934 93.325 37.608 136.822-105.424 92.255 43.371 116.153 -76.009 93.426 37.782 146.971 -37.153 93.841 58.356 140.987 -96.470 92.216 5.774 142.997-125.242 113.907-154.071 151.541 -20.286 119.061 122.257 122.728-131.771 90.963 44.222 115.932 -76.153 92.523 64.768 135.290 -95.949 90.704 47.947 115.342 -75.395 92.691 34.680 129.389 -76.178 92.814 35.614 143.444-134.218 91.761 46.382 146.018 -40.754 90.422 42.169 144.276 -44.343 91.423 37.234 129.266 -76.087 91.818 43.895 129.501 -87.991 92.286 38.823 129.165 -76.080 92.733 39.142 137.976 -75.476 92.847 39.590 137.301 -90.716 91.780 47.288 144.807 -41.416 91.309 41.951 142.155-131.379 92.478 63.856 143.024-124.314 93.022 0.000 129.414 -76.269 # 5 total E -2.39043E+02 rmsd from N 0.000 %NC 0.00 1 93.639 103.775 136.927 -96.107 93.714 46.680 139.471-104.336 94.077 36.183 144.073-135.181 92.685 39.615 129.864 -76.644 92.586 41.542 139.985 -23.221 89.715 38.886 138.799-149.712 91.804 42.492 129.656 -85.861 89.951 37.257 140.845 -85.520 91.311 44.492 145.134 -41.789 92.953 52.923 137.100-140.271 92.613 44.112 149.587-116.914 92.989 42.551 101.015-114.733 93.384 83.840 141.809-131.807 115.691 -86.273 155.765-135.320 110.842 -97.926 149.383-147.774 94.269 72.317 134.480 -90.541 93.673 40.203 133.487 -88.163 92.969 86.738 136.801 -99.814 94.451 119.792 138.681-151.790 92.599 42.343 143.617-133.649 93.417 159.636 0.000 0.000 143.065 -69.039 110.569 -89.571 92.448 48.742 140.474 -88.920 93.716 32.684 134.706-102.054 93.154 41.812 115.514 -76.306 91.827 57.725 148.496-128.435 92.841 56.664 141.613 -92.668 90.335 40.523 142.007-123.095 93.912 44.203 143.666-124.396 121.323 164.768 121.460-128.441 92.892 50.384 116.285 -76.348 93.363 45.021 137.545-104.125 90.243 48.720 116.405 -75.640 91.844 40.544 129.267 -76.162 87.812 44.887 141.726-130.633 90.609 47.300 144.759 -41.440 90.890 39.801 143.456 -41.298 92.103 37.348 129.328 -76.121 92.871 43.208 129.960 -87.855 92.864 36.150 129.274 -76.192 93.054 39.328 139.171 -75.845 93.074 38.730 137.278 -90.866 92.009 46.579 144.919 -41.237 91.510 41.935 142.311-132.958 92.465 63.518 143.021-124.208 93.025 0.000 129.426 -76.277 # 6 total E -2.34335E+02 rmsd from N 0.000 %NC 0.00 1 93.638 76.920 138.281-102.464 93.464 50.212 139.421-102.119 92.664 38.112 143.606-133.981 92.504 40.933 129.444 -76.199 91.879 40.665 138.644-146.689 91.744 37.203 138.645-148.137 92.721 39.773 129.154 -88.366 90.115 40.768 139.297 -84.622 91.228 50.253 144.361 -42.787 90.625 103.680 136.795-141.040 94.313-143.307 145.068 -39.736 91.721 59.260 100.656-112.966 89.415 65.697 141.585-129.158 92.054 82.884 144.748 -39.151 92.057 89.008 142.154-135.686 95.245 -50.435 132.179 -93.144 95.730 -72.586 134.407 -86.788 94.728 -94.486 139.864-105.721 117.201-103.250 143.546-118.079 92.725 47.603 143.926-135.759 92.558 41.583 0.000 0.000 91.466 60.933 140.035-130.018 89.110 39.389 138.322 -92.264 92.338 44.700 135.786-103.316 90.979 46.795 115.906 -75.477 91.058 45.646 147.034-109.694 94.034 42.411 139.366-108.667 95.163 -94.326 144.338-126.974 118.012 -78.946 153.057 -20.040 119.834 122.936 122.256-130.330 92.004 46.441 116.116 -76.249 92.881 99.382 136.257 -99.972 92.780 51.858 115.438 -76.380 92.379 37.775 129.382 -76.162 90.946 42.770 142.860-132.803 91.446 39.356 146.712-114.254 91.753 41.793 145.624 -39.840 91.905 38.811 129.308 -76.117 92.087 42.595 129.999 -87.416 92.406 38.818 129.304 -76.208 92.756 39.008 138.133 -74.411 92.873 39.582 137.332 -90.734 91.819 46.858 144.813 -41.399 91.402 41.997 142.224-131.806 92.479 63.644 143.017-124.419 93.022 0.000 129.413 -76.268 # 7 total E -2.33392E+02 rmsd from N 0.000 %NC 0.00 1 93.609 63.508 137.780-102.344 93.639 51.010 140.239-104.391 93.093 37.018 143.763-134.498 92.404 40.308 129.796 -76.542 93.137 43.341 141.919 -21.024 89.364 40.295 138.413-156.829 90.659 44.519 128.347 -87.211 86.949 46.343 138.546 -87.739 89.821 42.547 143.646 -42.709 90.687 56.678 139.129-140.786 92.543 67.452 145.975 -39.996 116.631 -64.683 122.775-132.483 121.572-100.414 112.636 -83.969 92.882 76.640 146.065 -38.878 91.465 54.351 142.993-133.654 92.994 47.247 133.481 -81.912 93.435 43.747 132.095 -93.466 93.650 119.662 137.482 -99.859 119.771 -97.849 141.580 -96.737 93.822 -12.352 143.573-133.400 113.358-105.266 0.000 0.000 146.059 -48.593 114.799 -91.871 96.960 34.981 140.909 -87.365 94.124 42.332 140.676-100.992 94.110 35.250 116.059 -76.826 94.011 141.031 151.634-133.373 93.830 49.995 141.384-115.107 91.705 54.159 142.781-124.279 92.846 60.027 143.144-123.082 119.340 157.531 122.117-130.722 94.395 39.749 116.531 -76.473 93.483 41.297 137.310-102.734 90.465 42.977 115.569 -76.561 91.637 50.012 129.333 -76.204 86.858 45.751 141.202-130.019 90.673 42.511 143.934 -40.354 92.331 35.622 144.260 -41.844 93.033 39.032 129.389 -76.171 93.699 39.796 130.319 -87.529 92.817 38.096 129.619 -76.454 92.940 38.441 138.362 -73.562 93.026 39.602 137.326 -90.449 91.942 46.176 144.881 -41.293 91.516 42.279 142.369-132.934 92.441 63.347 142.994-124.184 93.022 0.000 129.415 -76.271 # 8 total E -2.17284E+02 rmsd from N 0.000 %NC 0.00 1 94.267 -57.197 135.159 -95.427 120.394-102.683 150.338 -98.141 96.714 9.855 150.420 -30.499 94.323-102.858 129.568 -76.367 116.217-164.752 149.405-169.732 128.688 36.891 147.488 -1.123 95.062 28.183 130.835 -81.567 92.285 76.844 143.578 -89.557 91.104 62.595 143.429 -41.922 89.779 80.378 138.398-138.525 92.686-137.120 145.998-107.176 92.390 77.781 100.335-112.237 92.939 49.225 110.212 -83.220 92.689 79.048 145.745 -37.648 92.864 32.068 142.093-132.730 93.370 49.350 133.540 -90.643 93.588 92.818 130.820 -97.732 93.635 89.142 134.694 -94.429 93.751 54.792 140.283-112.568 110.476 -72.355 149.098-145.495 93.837 177.278 0.000 0.000 125.110 48.580 154.197 176.195 92.163 40.765 141.218 -89.358 92.817 42.476 138.609-102.108 91.474 40.314 115.472 -76.178 91.670 43.542 149.259-113.753 93.370 45.442 139.791-101.722 92.122 30.645 142.925-124.517 114.118-119.487 111.225 -82.488 120.970 153.590 121.139-128.316 125.995 -70.893 122.513 -79.987 93.908 49.840 137.353-101.258 92.882 36.959 116.599 -76.280 92.378 43.483 129.374 -76.262 88.971 44.756 141.914-132.707 91.004 42.135 145.287 -40.962 91.336 40.172 145.158 -39.329 92.051 37.619 129.302 -76.117 92.417 43.063 129.797 -87.932 92.465 37.994 129.269 -76.223 92.915 38.823 137.750 -74.058 93.065 39.667 137.304 -90.685 91.987 46.048 144.917 -41.246 91.583 42.255 142.464-133.505 92.441 63.315 143.015-124.154 93.024 0.000 129.412 -76.268 # 9 total E -2.23964E+02 rmsd from N 0.000 %NC 0.00 1 93.700 91.382 138.917-104.388 93.496 49.363 139.482-102.292 92.268 39.476 143.580-132.664 92.492 40.073 129.504 -76.247 92.846 43.234 142.639-153.483 92.362 33.959 138.767-150.850 92.483 47.885 131.257 -86.915 90.223 68.376 137.055 -85.221 91.961 31.802 145.716-113.518 118.345 -91.699 146.530 -8.506 103.949 167.284 149.988 -32.938 121.654 -92.137 120.769-127.097 95.112 146.157 149.866 -30.955 93.533 -90.028 149.611-119.924 93.292 140.111 143.840-137.240 118.471-166.422 153.049-133.738 95.182 31.493 132.286 -90.536 94.607 177.317 138.436-101.675 93.511 54.662 141.407-137.817 92.794 37.717 143.762-137.328 92.260 48.351 0.000 0.000 90.956 55.992 136.377-124.635 89.994 40.267 139.704 -89.969 92.601 40.106 136.125-104.499 91.787 41.821 115.391 -76.186 91.502 54.548 148.806-117.243 93.680 63.859 138.254 -98.005 92.538 -14.094 142.998-124.928 118.371-144.275 152.109 -19.335 118.967 122.456 122.379-131.162 90.617 44.975 115.888 -76.110 92.368 53.058 135.277 -94.982 90.501 44.771 115.001 -75.397 92.342 35.158 129.353 -76.169 90.371 40.477 142.607-132.457 91.497 42.239 144.167 -43.101 91.205 39.865 144.685 -42.474 91.975 37.765 129.299 -76.112 92.216 42.994 129.776 -87.793 92.323 39.830 129.291 -76.199 92.693 37.507 137.612 -75.509 92.900 40.672 137.279 -90.823 91.835 46.050 144.526 -41.909 91.529 42.324 142.395-133.052 92.441 63.392 143.019-124.162 93.021 0.000 129.414 -76.268 # 10 total E -2.40469E+02 rmsd from N 0.000 %NC 0.00 1 93.664 78.084 138.723-103.970 93.620 50.527 139.529-102.447 92.588 37.305 143.577-133.909 92.363 43.075 129.442 -76.159 91.663 42.478 141.102-147.844 92.730 34.315 138.642-150.029 92.799 38.546 129.486 -87.872 88.120 56.400 141.278 -88.108 89.286 50.965 143.020 -45.603 88.120 93.725 137.348-139.364 93.537-157.705 145.614 -41.328 93.248 59.007 100.662-113.231 94.183 35.000 143.414-134.205 93.942 90.940 147.475 -36.454 92.624 46.288 142.994-136.805 92.599 41.081 132.878 -90.967 92.970 50.698 132.241 -85.078 92.982 47.129 133.197 -70.255 94.903 30.188 140.603-136.792 98.040 33.783 145.398-138.011 98.210 33.025 0.000 0.000 95.845 41.799 140.012-132.994 93.150 33.101 138.938 -92.286 93.216 38.119 136.425-105.097 92.035 45.022 115.310 -76.179 92.724 38.434 145.270 -40.613 94.366 44.422 139.494-107.806 95.992 -14.807 144.758-127.868 124.914-145.533 153.138 -17.958 92.794 77.075 99.880-114.562 91.443 56.026 116.086 -76.208 92.401 58.754 136.418 -99.041 89.861 49.496 115.396 -75.352 92.513 36.540 129.357 -76.158 92.338 35.420 143.278-133.881 91.489 45.481 146.156 -41.430 90.062 43.371 143.705 -44.137 91.400 38.703 129.255 -76.083 91.479 42.774 129.363 -88.417 92.055 39.895 129.109 -76.119 92.571 40.241 136.523 -73.775 92.674 42.834 137.394 -90.359 91.652 44.477 144.690 -41.579 91.768 43.357 143.346-134.125 92.387 63.004 142.951-124.259 93.021 0.000 129.416 -76.267 # 11 total E -2.36570E+02 rmsd from N 0.000 %NC 0.00 1 93.649 80.636 138.407-102.477 93.540 49.456 139.289-102.281 92.625 38.884 143.599-133.995 92.460 40.478 129.464 -76.221 92.210 42.999 140.589-148.500 91.819 34.740 138.784-148.930 92.522 42.573 129.928 -86.032 90.220 37.491 138.696 -85.734 91.223 51.239 147.902-111.020 91.384 48.258 137.952-140.473 91.750 50.854 148.474-117.070 121.211-111.471 120.177-126.435 92.525 110.830 110.995 -83.136 92.468 59.575 147.974-117.338 92.903 37.855 144.480-131.397 93.469 39.558 133.326 -91.456 93.566 41.122 133.105 -94.040 93.036 47.039 137.827 -92.304 93.088 45.353 138.795-118.567 93.536 19.215 143.943-134.249 121.508-124.880 0.000 0.000 126.153-116.758 158.311 175.971 91.995 41.847 142.505 -91.354 92.822 46.075 136.824-105.121 91.279 58.253 115.430 -76.078 91.757 98.266 149.051-117.672 93.659 50.728 139.840-111.206 92.693 84.843 143.242-125.060 95.343-152.627 145.024-127.825 121.520 7.550 121.067-127.940 93.800 48.301 116.469 -76.413 92.924 37.465 137.200-102.266 90.154 51.511 115.188 -75.738 91.914 42.337 129.273 -76.146 89.983 36.889 142.358-132.147 91.884 43.804 144.701 -38.739 91.275 38.454 144.413 -43.865 92.094 38.038 129.314 -76.128 92.363 42.555 129.787 -85.063 92.443 39.263 129.366 -76.310 92.678 36.728 138.503 -78.331 92.372 42.794 137.075 -90.663 90.606 54.989 143.788 -44.525 89.783 42.757 142.011-131.324 92.481 78.345 143.043-124.677 93.008 0.000 129.363 -76.184 # 12 total E -2.42413E+02 rmsd from N 0.000 %NC 0.00 0 93.857 113.249 140.013-108.288 93.333 51.982 139.450-100.882 90.966 42.338 143.069-132.819 92.221 40.476 129.380 -76.183 92.711 43.744 142.689-144.565 95.090 30.368 139.056-150.041 94.525 36.347 130.837 -87.101 92.344 40.454 139.361 -86.548 90.871 44.803 144.569 -42.627 90.960 49.742 137.753-140.521 93.520 41.479 147.630 -37.601 92.186 43.659 102.811-112.916 89.520 45.679 141.360-130.117 91.940 83.724 145.176 -40.388 90.990 58.397 143.639-128.617 93.263 46.739 133.751 -90.771 94.256 28.508 131.695 -88.434 94.519 146.388 139.611-112.922 94.890 57.925 139.735-112.747 95.839 35.436 144.711-136.888 96.908 36.272 0.000 0.000 94.497 48.789 140.740-129.921 91.412 37.574 138.210 -90.930 92.705 39.888 136.150-104.465 92.686 38.931 115.473 -76.308 92.426 43.403 150.996-122.492 93.357 40.448 139.706 -97.542 91.916 49.786 142.849-124.461 93.873 176.257 143.505-125.095 92.428 69.047 99.897-115.101 90.907 47.820 116.010 -76.132 92.756 44.844 135.117 -89.508 91.377 38.722 115.754 -76.470 92.406 39.449 129.344 -76.175 89.595 42.804 142.102-131.577 91.414 42.859 143.754 -41.198 92.185 35.973 144.950 -41.273 92.448 37.816 129.338 -76.137 92.752 43.758 129.117 -97.890 92.254 41.125 129.379 -76.116 92.684 37.498 138.034 -78.815 93.360 38.504 137.152 -91.981 91.668 49.314 149.017-117.644 90.671 45.317 143.161-136.610 91.309 76.595 142.470-123.266 93.017 0.000 129.310 -76.225 # 13 total E -2.31080E+02 rmsd from N 0.000 %NC 0.00 1 93.761 106.844 138.980-104.200 93.402 54.245 140.931-106.502 91.993 38.735 143.394-133.530 92.296 40.596 129.439 -76.187 92.058 43.335 142.236-152.021 91.581 35.397 139.157-152.090 92.538 39.145 129.692 -86.943 89.350 42.391 137.917 -84.497 90.797 49.414 143.271 -45.850 90.944 43.134 136.612-141.095 92.210 129.368 147.940-114.093 93.295 77.044 100.499-111.037 92.361 90.052 142.933-133.981 93.580-140.990 148.555-118.763 93.198 58.457 143.582-135.360 93.467 45.557 132.793 -90.124 93.275 73.658 136.389 -77.036 93.198 47.010 137.839-110.979 93.224 83.634 140.055-106.471 131.472 -40.946 113.655 -84.232 96.495 155.254 0.000 0.000 124.197-137.607 159.577 170.110 95.099 39.326 141.527 -91.810 94.148 32.626 137.320-103.003 92.651 45.533 115.684 -76.267 92.082 58.848 144.513 -43.590 92.927 51.151 139.425 -98.377 90.842 54.509 142.296-123.431 93.362-171.656 143.298-124.574 93.111 69.777 99.872-114.631 91.531 44.051 116.086 -76.208 92.803 51.159 137.445-101.350 91.904 37.756 115.477 -76.008 93.188 37.130 129.453 -76.225 98.004 27.420 144.911-137.554 95.869 36.880 147.262 -36.343 93.101 37.143 150.224-127.440 92.815 37.912 129.400 -76.175 93.381 37.626 131.173 -85.622 92.675 39.514 129.406 -76.249 93.089 36.632 137.548 -83.023 92.995 42.490 137.084 -92.784 90.997 46.191 146.257-114.049 91.498 43.015 142.270-133.030 92.406 65.233 143.011-124.157 93.018 0.000 129.406 -76.259 # 14 total E -2.34797E+02 rmsd from N 0.000 %NC 0.00 1 93.613 72.800 137.820-100.967 93.689 52.330 141.432-109.337 92.573 35.688 143.596-133.982 92.232 43.683 129.462 -76.189 91.505 44.810 140.234-147.459 91.087 36.328 138.910-154.253 91.710 40.778 129.102 -89.057 89.083 51.987 138.420 -86.560 91.333 93.823 141.952 -45.731 103.574 -40.798 139.914-149.181 109.423 149.731 153.048 -26.373 119.354-136.756 121.453-129.391 94.443 37.915 143.882-136.680 92.835 48.092 145.730 -39.403 90.968 48.511 144.076-138.677 92.583 43.486 134.542 -91.635 93.195 33.464 130.972 -88.946 93.388 105.893 137.651 -99.405 94.491 89.291 147.661-141.173 94.114 25.202 150.212 -31.823 94.385 48.008 0.000 0.000 92.811 37.274 131.051 -38.509 92.042 43.462 143.059 -93.441 92.396 35.786 136.143-102.680 90.471 45.476 115.175 -76.218 90.991 48.788 143.771 -43.466 92.953 45.146 139.047 -95.377 91.197 57.378 142.424-123.579 96.690 41.222 149.797 -23.917 121.438-134.062 121.381-128.151 92.300 108.223 116.261 -76.325 93.909 150.297 136.426 -97.490 92.155 52.685 116.216 -76.056 92.622 41.412 129.395 -76.168 91.022 38.569 142.861-132.381 90.449 45.599 149.042-125.832 90.528 41.000 144.410 -42.050 91.618 37.897 129.298 -76.104 91.571 44.669 130.240 -80.882 92.171 42.058 129.212 -76.230 92.452 34.575 137.731 -78.708 92.217 48.160 137.137 -90.641 90.644 53.706 143.362 -45.920 89.928 44.877 142.036-129.725 91.937 75.959 142.775-123.659 93.023 0.000 129.362 -76.235 # 15 total E -2.40812E+02 rmsd from N 0.000 %NC 0.00 1 93.730 89.397 139.575-107.252 93.265 51.875 139.508-101.723 91.746 40.524 143.311-133.125 92.422 40.059 129.321 -76.019 92.768 41.692 140.597-143.733 93.275 34.235 138.483-149.955 92.323 44.350 131.733 -97.648 87.560 58.950 142.503 -87.923 88.264 50.980 146.117-106.716 87.013 57.943 138.469-140.440 91.998 165.452 143.313 -42.969 119.542 63.250 122.090-130.144 93.960 34.518 143.751-134.961 94.103 43.739 145.769 -39.056 93.097 45.754 111.132 -83.043 92.675 43.695 132.455 -94.291 93.077 34.962 130.862 -88.772 93.920 121.076 141.245-110.071 92.429 58.211 144.303 122.389 90.940 37.876 143.146-133.126 94.510 42.145 0.000 0.000 93.588 38.662 136.653-117.333 94.406 36.515 138.760 -91.323 93.382 39.749 136.370-105.191 93.052 39.111 115.317 -76.541 92.602 47.224 150.490-124.871 93.721 65.254 140.292 -99.686 92.674 -39.614 143.057-124.823 119.540-119.017 152.412 -19.182 118.190 106.775 122.281-131.502 91.032 66.943 115.973 -76.150 93.028 88.011 134.713-101.997 92.217 45.034 115.884 -76.203 92.494 38.931 129.386 -76.168 91.101 41.416 142.900-132.796 90.924 42.512 147.879-122.704 90.758 40.104 144.173 -41.957 91.840 40.212 129.313 -76.122 92.378 44.403 130.882 -85.062 92.519 34.167 129.260 -76.161 93.062 43.575 139.129 -84.645 92.764 54.482 137.172 -91.257 91.013 40.891 146.333-115.113 92.229 47.367 145.303-135.319 92.247 63.903 142.896-124.119 93.020 0.000 129.416 -76.259 # 16 total E -2.41640E+02 rmsd from N 0.000 %NC 0.00 1 93.621 120.739 134.961 -87.873 94.030 42.147 141.161-108.765 94.652 33.829 144.240-135.594 92.713 41.123 129.780 -76.607 92.884 41.009 135.537 -28.124 93.300 34.892 139.845-149.169 94.258 38.777 130.657 -86.356 94.966 31.409 139.346 -85.975 93.794 41.216 146.087 -39.929 93.917 57.455 139.380-145.624 92.728 68.630 146.531 -39.549 118.268-119.705 121.332-129.659 121.633 -94.704 113.002 -83.786 92.944 49.563 145.767 -39.940 92.214 40.925 143.358-134.450 92.749 48.791 133.228 -82.317 93.187 34.918 133.029 -87.095 92.955 51.980 139.587-103.256 91.884 38.569 138.898-111.783 96.875-114.275 144.586-132.621 93.629 133.475 0.000 0.000 93.480 44.626 135.053-119.854 94.627 34.283 138.097 -90.852 93.853 38.558 136.726-105.800 94.536 38.159 115.562 -76.580 93.080 38.230 149.530-127.599 93.600 46.092 143.268-119.662 91.304 48.349 142.572-123.813 92.618 46.837 142.804-122.750 120.495 167.473 121.723-129.477 93.684 44.304 116.417 -76.420 93.528 40.043 137.399-103.084 90.353 47.391 116.605 -76.180 91.919 41.777 129.272 -76.146 88.100 42.416 141.738-130.860 91.099 43.194 144.963 -40.912 91.169 40.074 144.830 -40.676 92.001 37.537 129.308 -76.120 92.385 43.011 129.796 -87.912 92.478 37.909 129.251 -76.210 92.930 38.823 137.802 -74.530 93.065 39.627 137.301 -90.771 91.989 46.054 144.915 -41.249 91.585 42.225 142.453-133.484 92.445 63.323 143.015-124.162 93.022 0.000 129.413 -76.268 # 17 total E -2.38240E+02 rmsd from N 0.000 %NC 0.00 1 93.710 94.428 138.935-104.388 93.411 49.467 139.476-101.905 91.736 41.043 143.314-133.343 92.379 39.584 129.484 -76.267 92.508 43.406 143.815-147.894 94.340 30.750 138.996-149.955 94.400 37.067 131.162 -85.278 92.010 39.501 140.454 -85.692 91.910 47.940 143.738 -43.525 91.875 50.374 139.101-142.183 91.575 48.833 148.611-115.857 120.280-111.032 120.961-128.127 91.743 113.413 142.848-135.071 92.455 115.607 148.458-120.516 92.214 52.575 143.011-135.706 93.572 48.675 133.081 -90.578 96.181 173.145 133.547 -82.028 94.589 160.000 138.174-104.108 119.776-127.570 142.804-120.821 93.757 67.507 144.266-135.251 94.219 107.692 0.000 0.000 92.765 63.563 140.018-129.491 90.370 38.927 138.981 -90.456 92.602 41.647 136.136-104.831 91.979 43.227 115.435 -76.070 91.899 36.587 147.510-110.958 94.392 48.950 139.924-111.648 94.751 4.223 144.177-126.708 123.654 142.352 152.658 -18.352 121.750 147.975 120.722-127.114 94.615 30.710 116.542 -76.510 93.655 44.716 137.341-102.306 90.625 45.322 116.544 -76.156 92.132 42.012 129.354 -76.173 89.456 38.143 142.224-131.687 91.162 46.425 144.522 -40.704 90.918 37.964 142.717-107.026 92.794 38.296 129.401 -76.173 93.750 36.373 130.221 -88.254 92.926 39.502 129.511 -76.374 93.188 37.557 138.152 -84.914 93.045 40.010 137.017 -92.234 91.872 46.569 144.853 -41.330 91.435 42.132 142.297-132.343 92.459 63.613 143.022-124.241 93.020 0.000 129.414 -76.267 # 18 total E -2.41173E+02 rmsd from N 0.000 %NC 0.00 1 93.931 128.130 139.888-105.545 93.236 57.871 141.657-110.554 90.727 40.416 142.979-132.674 92.112 41.531 129.376 -76.110 92.129 41.637 141.018-144.674 91.742 36.566 140.727-150.253 92.548 40.074 129.399 -87.344 90.660 40.307 139.050 -85.365 91.116 44.957 147.993-114.972 92.467 32.695 136.990-140.362 93.293 140.181 146.342 -39.806 94.052 70.069 99.902-112.134 95.531 26.570 143.999-136.020 95.107 45.832 147.031 -38.083 92.965 41.489 144.030-132.414 93.156 45.029 134.683 -95.941 94.182 46.462 131.212 -88.681 94.478 -14.821 136.938 -87.863 124.681-169.844 146.401-144.593 94.183 77.880 111.390 -82.928 94.718 66.118 0.000 0.000 93.626 37.636 136.564-123.165 92.892 38.143 139.671 -92.356 92.987 40.293 136.189-104.319 91.969 41.574 115.191 -76.332 91.253 42.725 148.030-114.956 93.610 39.219 139.905-102.333 92.964 53.653 143.321-125.404 93.788 45.251 143.274-123.693 121.773 173.650 121.779-128.790 91.108 56.489 116.020 -76.169 93.020 48.753 137.214-102.173 89.824 44.911 116.157 -75.410 92.082 40.799 129.346 -76.181 89.191 40.931 142.144-131.512 90.723 46.657 144.892 -40.595 90.602 41.673 144.032 -41.868 91.841 37.138 129.297 -76.104 92.349 41.973 129.693 -88.141 92.430 39.832 129.228 -76.156 92.673 38.291 136.690 -68.597 92.965 40.094 137.423 -90.029 91.913 46.026 144.863 -41.326 91.552 42.321 142.387-133.031 92.442 63.335 142.999-124.202 93.022 0.000 129.414 -76.267 # 19 total E -2.39435E+02 rmsd from N 0.000 %NC 0.00 1 93.631 75.054 138.173-102.105 93.589 50.108 139.460-102.558 92.985 36.994 143.726-134.178 92.474 41.739 129.560 -76.264 92.301 41.000 140.704-147.396 91.418 36.326 138.523-148.949 92.190 41.783 127.175 -82.281 90.373 41.309 137.699 -86.517 92.372 33.860 148.161-114.303 96.443 41.060 140.256-143.105 93.798 117.561 146.432 -41.249 94.427 80.454 98.942-108.688 97.772 21.890 144.675-137.695 95.566 48.765 148.128 -35.975 91.725 51.436 113.383 -82.579 92.565 42.550 133.222 -88.564 93.508 56.840 130.957 -88.620 94.003 10.769 136.945 -98.545 113.553-152.728 145.599-109.315 94.249 64.945 144.152-135.010 94.588 164.350 0.000 0.000 124.242 28.343 156.925 171.739 90.567 42.574 141.025 -89.007 92.696 39.622 136.350-104.957 91.609 40.509 115.198 -76.057 91.433 52.679 149.827-115.246 93.290 32.395 136.708 -91.197 92.489 60.060 143.112-125.066 93.993 162.527 142.974-124.962 92.722 51.976 99.938-114.880 90.805 46.968 115.979 -76.144 92.586 58.323 139.176-103.951 89.520 41.800 115.322 -75.774 92.166 39.466 129.341 -76.129 90.733 39.714 142.704-132.634 91.622 40.920 145.434 -40.689 90.592 40.577 147.713-114.964 92.262 36.854 129.346 -76.140 92.218 39.623 129.577 -88.145 92.036 42.339 129.317 -76.320 92.173 40.329 137.301 -78.710 91.976 43.579 137.268 -90.420 90.618 54.220 144.308 -42.273 90.137 41.539 140.941-122.741 92.588 67.161 143.094-124.354 93.026 0.000 129.420 -76.272 # 20 total E -2.46939E+02 rmsd from N 0.000 %NC 0.00 1 93.603 75.569 137.617 -99.768 93.693 50.748 140.057-106.087 92.984 35.840 143.706-134.165 92.448 42.445 129.468 -76.192 92.751 39.914 140.917-149.621 92.485 37.066 140.173-166.813 92.463 34.527 129.382 -87.307 88.754 50.102 139.305 -86.139 89.442 43.224 141.440 -47.876 92.427 58.198 137.848-142.471 95.059 76.026 147.098 -38.196 120.004-135.830 122.889-130.922 94.810 43.211 143.832-135.767 92.449 44.438 145.118 -38.699 90.480 42.804 141.702-132.864 93.203 49.474 132.976 -99.439 92.760 32.546 131.295 -89.443 93.462 128.173 139.123-114.172 93.722 63.173 139.112 -97.648 92.520 34.472 143.654-134.335 94.323 42.308 0.000 0.000 93.919 41.700 136.713-122.576 93.633 35.196 140.279 -94.102 92.791 39.577 136.313-104.559 91.067 62.925 115.445 -76.616 92.015 44.326 144.523 -41.911 93.723 36.425 138.579 -91.910 94.510 49.424 144.049-126.631 123.495-171.183 152.825 -18.604 92.812 75.265 99.875-114.546 91.485 46.406 116.127 -76.194 92.324 59.334 135.825 -85.010 90.543 38.408 115.406 -76.577 92.212 44.563 129.392 -76.178 88.382 61.022 141.867-130.589 90.082 52.098 147.848-121.086 91.192 37.276 144.829 -40.426 92.504 36.563 129.375 -76.135 92.821 42.705 130.368 -85.790 92.159 41.339 129.524 -76.519 91.633 41.370 139.015 -77.187 91.652 45.478 137.372 -89.820 90.418 48.820 142.997 -43.224 91.033 42.500 142.023-129.941 92.429 65.405 143.001-124.210 93.023 0.000 129.414 -76.271 # 21 total E -2.29802E+02 rmsd from N 0.000 %NC 0.00 1 93.623 70.025 138.067-102.408 93.575 52.295 139.797-102.897 92.979 36.202 143.720-134.250 92.462 42.735 129.491 -76.210 92.124 39.591 138.511-142.648 92.161 39.355 138.302-149.894 92.433 41.201 129.026 -88.320 90.075 50.158 140.681 -86.086 90.780 86.511 147.600-112.388 118.814-102.909 147.776-160.671 108.031 -54.998 154.028-122.112 120.176 -81.421 120.952-128.298 93.131 48.372 143.534-134.768 92.309 42.362 145.506 -40.011 89.617 48.052 141.774-130.311 92.335 42.699 130.587-102.998 93.009 46.802 130.955 -89.053 93.584 28.787 137.352 -98.007 108.241 176.541 143.790-105.619 94.607 79.772 144.248-135.004 95.242 155.208 0.000 0.000 125.824 54.857 159.758 166.730 91.964 38.300 141.929 -89.714 93.350 36.566 136.877-105.882 91.232 51.490 115.627 -76.003 91.508 57.484 144.766 -41.731 93.054 44.849 140.549-114.907 92.208 94.549 142.984-124.523 108.640-150.664 151.658-141.023 122.591 9.066 120.833-126.967 94.630 48.085 116.607 -76.488 92.930 38.306 137.550 -98.714 90.980 47.177 115.153 -76.106 92.313 44.120 129.311 -76.147 91.298 35.219 142.676-132.853 91.932 45.772 147.241 -37.655 89.668 44.400 148.874-118.366 91.598 36.411 129.301 -76.105 91.778 40.717 129.209 -87.932 92.074 42.541 129.177 -76.193 92.370 39.621 137.850 -85.736 92.240 40.946 136.971 -92.152 90.793 53.671 143.793 -42.364 90.655 40.775 139.585-127.904 92.582 66.790 143.100-124.422 93.025 0.000 129.417 -76.270 # 22 total E -2.31318E+02 rmsd from N 0.000 %NC 0.00 1 93.657 59.928 138.675-107.136 93.480 54.228 140.238-105.401 92.609 36.744 143.588-133.929 92.385 42.758 129.450 -76.173 91.993 38.063 136.242-133.894 93.930 38.070 138.285-149.311 93.722 37.810 131.029 -84.408 92.258 36.580 141.736 -87.262 92.391 41.894 149.065-122.686 95.130 56.072 139.526-141.523 92.633 70.675 149.103-118.270 119.726-116.691 121.893-129.791 112.822 -82.633 150.197-149.600 93.445 55.993 145.958 -38.823 91.524 38.088 143.142-134.156 92.385 53.633 133.719 -93.327 92.495 43.622 135.104 -93.922 92.177 38.716 137.000 -95.546 91.467 48.539 139.491-107.273 92.645 47.852 149.061 -34.534 92.222 96.870 0.000 0.000 122.240-150.381 155.528-176.352 94.390 44.875 142.192 -92.135 93.905 40.002 137.183-106.057 93.566 61.685 116.327 -76.106 92.172 81.617 148.368-119.257 93.581 56.439 140.617-116.590 93.108 76.541 143.373-125.265 118.833-150.485 152.744 -18.228 123.546 5.306 120.634-126.083 95.447 44.499 116.732 -76.570 93.085 40.576 139.150-101.711 91.419 44.788 115.428 -75.561 92.538 37.914 129.324 -76.175 92.560 33.682 143.049-132.971 92.307 47.179 147.428 -37.971 90.493 40.418 144.361 -42.648 91.440 37.229 129.256 -76.090 91.617 42.589 127.053 -97.088 91.902 44.209 129.196 -76.101 92.322 37.595 136.886 -74.932 92.901 39.105 137.287 -90.481 92.397 42.511 144.522 -41.355 92.665 41.734 142.645-133.844 92.637 61.755 143.056-125.924 93.021 0.000 129.411 -76.266 # 23 total E -2.41442E+02 rmsd from N 0.000 %NC 0.00 1 93.755 96.699 139.600-107.313 93.328 50.472 139.335-100.957 91.481 41.012 143.236-133.181 92.271 40.951 129.462 -76.207 92.291 43.191 142.556-148.728 92.244 34.090 138.177-147.596 92.683 43.868 129.196 -85.605 90.468 40.261 138.599 -87.565 89.921 54.087 148.318-122.436 90.292 107.793 136.023-140.559 93.847-135.707 146.827 -39.912 121.846 19.996 121.322-127.710 93.861 55.074 143.741-134.781 93.007 104.323 147.371 -37.210 92.833 54.863 144.453-140.036 92.449 32.982 132.856 -90.953 92.426 65.206 132.478 -84.330 92.849 52.152 128.768 -76.277 95.516 30.280 138.231-103.719 98.849 32.809 145.649-138.662 98.595 33.406 0.000 0.000 95.662 43.703 139.627-130.734 91.577 37.104 138.747 -92.229 92.304 42.737 136.043-104.065 90.585 48.994 115.458 -75.952 92.098 47.250 146.015 -37.361 93.701 48.487 140.302-116.268 94.287 -64.782 143.914-126.189 120.577-108.403 152.684 -19.031 119.793 108.798 122.120-130.357 92.452 46.418 116.206 -76.273 93.054 47.154 136.297 -98.657 91.139 42.384 116.175 -76.036 92.560 38.523 129.346 -76.172 91.383 37.334 142.829-132.962 91.309 49.296 146.361 -39.872 90.601 41.269 143.308 -42.777 91.863 36.345 129.306 -76.108 92.371 44.300 129.637 -87.666 92.636 37.891 129.113 -76.106 92.736 39.615 139.058 -77.811 92.769 38.756 137.241 -90.979 91.793 47.811 144.781 -41.425 91.254 41.581 142.138-130.443 92.526 63.998 143.047-124.590 93.022 0.000 129.413 -76.268 # 24 total E -2.38980E+02 rmsd from N 0.000 %NC 0.00 1 93.649 89.459 138.058-100.658 93.645 46.792 139.366-103.256 92.886 39.177 143.673-134.150 92.553 38.635 129.470 -76.251 93.317 44.536 145.950-155.984 93.931 30.782 139.971-150.907 94.037 36.233 130.520 -87.331 91.226 43.133 138.942 -85.330 90.673 47.677 144.045 -44.306 90.936 47.866 137.268-140.404 93.933 38.413 146.188 -38.367 93.332 41.168 101.614-111.637 91.244 45.928 143.591-134.613 92.189 33.427 145.430-115.057 92.462 55.173 141.967-131.466 93.658 99.612 132.046 -95.125 92.944 55.732 132.527 -93.348 93.009 39.557 137.267-101.931 105.087-166.277 140.784-105.973 94.534 85.024 144.975-137.249 93.091 44.928 0.000 0.000 91.221 51.854 135.284-121.832 91.545 43.853 138.357 -89.916 92.399 39.902 135.980-104.007 90.274 44.365 114.943 -76.090 92.758 55.744 145.497 -39.635 93.231 52.871 140.053-105.882 92.175 25.017 142.892-124.399 120.619-162.998 152.499 -18.662 93.008 70.640 99.845-113.903 90.765 70.633 116.020 -76.151 92.670 89.966 134.150 -93.110 91.817 48.863 116.415 -76.239 92.386 38.568 129.346 -76.143 89.762 44.060 142.448-131.733 90.172 52.621 151.155-127.448 90.871 37.295 144.465 -40.916 92.189 35.701 129.357 -76.130 92.732 44.982 130.514 -84.891 92.498 38.759 129.220 -76.192 92.871 36.017 138.522 -78.966 93.191 39.976 137.146 -91.833 92.159 44.476 144.080 -42.282 91.977 42.449 142.152-136.260 92.406 62.691 142.997-124.163 93.021 0.000 129.412 -76.267 # 25 total E -2.23479E+02 rmsd from N 0.000 %NC 0.00 1 93.657 72.577 138.703-104.676 93.590 53.665 139.391-103.103 93.368 37.218 143.840-134.684 92.475 40.744 129.875 -76.681 91.883 41.010 136.498 -27.397 91.027 41.070 139.364-149.930 92.546 40.310 129.340 -86.969 90.996 37.800 139.536 -84.565 92.396 44.787 145.280 -41.951 94.185 93.905 137.844-142.411 107.212-164.178 152.119 -28.512 93.349 57.068 100.604-112.181 93.560 29.523 143.183-133.619 92.404 69.318 147.062 -39.545 91.250 52.929 141.499-132.458 91.972 35.862 132.235 -92.198 91.937 58.464 130.399 -86.068 92.957 47.329 126.716 -84.716 93.469 47.139 137.120-167.703 95.171 3.910 111.344 -82.961 125.232-167.965 0.000 0.000 125.640 16.996 160.758 167.055 92.373 46.849 141.280 -89.854 93.215 36.527 136.408-105.288 92.276 42.513 115.200 -76.201 91.426 63.001 148.317-115.868 93.256 49.439 139.537 -96.699 92.922 35.778 143.246-125.178 98.740 26.872 149.928 -23.992 121.963 161.162 121.814-128.716 95.021 24.189 116.614 -76.565 94.646 143.187 137.778-104.623 96.310 -54.068 117.057 -76.685 93.497 -47.439 129.499 -76.313 95.536-132.058 111.798 -82.569 93.877 67.296 145.949 -39.774 91.840 43.344 149.807-120.080 92.231 41.271 129.358 -76.027 93.316 37.734 128.910 -93.699 92.553 41.919 129.506 -76.286 92.979 34.176 137.149 -82.817 92.342 51.111 135.926 -85.039 90.835 52.047 143.758 -46.648 90.891 39.699 149.913 -33.917 92.262 73.848 142.944-124.008 93.017 0.000 129.394 -76.227 # 26 total E -2.28913E+02 rmsd from N 0.000 %NC 0.00 1 94.658 -84.807 135.618 -99.012 93.926 9.511 137.976-103.996 96.277-170.953 145.256-132.489 93.130 118.446 129.425 -76.173 135.088 -67.474 105.931 -86.608 94.905 50.439 141.645-157.607 93.896 31.584 130.199 -89.613 91.738 45.919 141.434 -84.902 91.100 46.099 149.319-126.999 91.958 53.807 139.262-143.077 92.152 64.228 149.082-117.122 118.763-156.901 122.077-130.561 93.893 50.260 143.646-135.291 91.958 46.313 149.034-118.910 90.827 42.942 142.385-129.330 93.105 39.638 131.351 -95.593 93.362 44.299 131.475 -87.757 93.930 34.406 136.955-103.836 94.545 124.945 143.825 -42.935 94.157 47.317 111.328 -82.965 92.377 48.809 0.000 0.000 92.858 41.627 135.996-124.761 91.509 40.308 141.382 -92.354 92.752 35.325 136.028-103.927 91.089 43.451 115.062 -76.232 91.145 54.028 144.840 -42.845 92.715 50.676 138.649 -93.596 90.342 52.009 142.031-123.006 92.711-169.982 142.936-123.549 93.070 77.450 99.833-114.660 92.040 42.740 116.161 -76.237 93.181 45.129 138.577-111.854 89.842 41.312 115.431 -75.999 91.858 43.831 129.296 -76.118 89.264 41.700 142.006-131.426 91.931 37.904 144.170 -40.439 92.306 38.079 147.589-115.946 92.916 37.517 129.391 -76.190 93.732 37.978 131.067 -86.802 93.078 36.651 129.410 -76.267 93.942 36.070 137.945 -85.563 93.737 40.389 137.063 -92.845 91.712 43.378 146.705-114.192 92.378 43.257 141.980-138.337 92.390 63.971 142.966-124.405 93.022 0.000 129.406 -76.257 # 27 total E -2.40202E+02 rmsd from N 0.000 %NC 0.00 1 93.622 68.177 138.042-102.595 93.564 51.340 138.962-102.936 92.945 37.115 143.691-134.163 92.483 42.915 129.485 -76.196 92.567 37.106 137.765-142.855 92.542 39.621 140.792-159.196 92.428 37.954 129.352 -87.304 89.459 42.567 140.104 -85.270 90.476 52.844 143.116 -44.915 88.952 66.851 137.195-141.819 91.839 100.395 144.474 -42.071 93.711 60.526 99.560-109.420 94.533 74.861 143.632-135.010 110.062-173.483 153.806-135.784 95.665 52.139 144.289-136.866 94.010 30.899 133.444 -90.785 93.150 67.833 138.161 -88.332 93.107 44.970 132.626 -95.174 93.871 33.969 140.239 -94.475 95.742 36.861 144.661-136.425 96.083 32.614 0.000 0.000 97.633 40.781 153.364-148.551 93.675 33.645 137.666 -91.061 93.303 42.196 136.430-105.256 92.690 39.092 115.442 -76.320 92.570 48.087 151.689-123.648 93.399 33.571 140.327-101.911 93.059 48.862 143.399-125.493 95.163 162.497 143.804-127.092 92.775 58.455 99.836-114.473 90.779 52.769 115.957 -76.114 92.678 68.567 138.941-101.582 90.477 39.814 115.351 -76.237 92.121 42.544 129.349 -76.150 89.748 42.823 142.469-132.481 91.422 44.988 145.752 -37.926 91.118 36.994 144.585 -41.740 92.209 38.255 129.326 -76.123 92.539 45.193 131.687 -86.490 92.370 38.417 129.218 -76.117 93.208 34.692 137.865 -81.374 93.598 40.486 136.990 -92.650 92.298 43.897 144.704 -42.345 91.941 42.799 142.813-135.265 92.404 62.495 143.003-124.136 93.022 0.000 129.414 -76.268 # 28 total E -2.29193E+02 rmsd from N 0.000 %NC 0.00 1 93.929 126.212 140.000-106.156 93.242 54.970 139.055-100.280 91.679 40.611 143.234-132.661 92.309 41.560 129.654 -76.335 91.086 43.205 142.245-155.574 90.396 38.842 138.475-148.606 91.800 47.969 128.219 -85.351 87.966 66.581 138.650 -82.452 89.570 44.896 145.579-113.985 91.288 51.750 139.201-139.177 93.978-178.806 146.008 -38.428 93.175 69.995 100.975-114.615 94.576 41.389 143.495-134.506 93.687 52.455 146.767 -37.735 91.961 50.314 112.573 -82.342 92.600 42.308 132.330 -92.876 93.523 33.979 130.912 -88.437 93.428 61.399 140.985-104.614 91.400 53.649 137.033-158.920 92.086 45.527 111.236 -82.909 93.984 103.663 0.000 0.000 121.284 170.100 156.704-177.239 114.616-101.694 139.853 -85.774 92.877 45.554 137.201-105.528 89.198 47.947 115.277 -75.914 90.555 49.577 143.630 -44.079 93.341 53.981 137.514 -96.864 93.486 100.770 109.374 -83.511 116.833-126.650 152.165 -20.079 92.815 70.424 100.029-114.500 91.804 41.172 116.076 -76.235 92.935 49.016 136.809 -83.889 91.513 38.181 115.899 -76.136 92.446 38.518 129.364 -76.179 89.691 45.454 142.234-131.632 90.706 39.978 140.962 -97.406 92.040 38.900 145.499 -41.073 92.380 37.564 129.346 -76.140 93.017 42.168 130.687 -83.975 92.789 35.711 129.452 -76.257 93.455 38.904 138.042 -73.715 93.531 37.074 137.262 -90.382 92.487 46.810 145.939 -39.931 91.447 41.644 142.578-132.535 92.457 63.869 143.025-124.170 93.021 0.000 129.408 -76.266 # 29 total E -2.41217E+02 rmsd from N 0.000 %NC 0.00 1 93.620 82.340 137.786 -99.832 93.542 47.668 140.853-105.704 92.678 37.913 143.611-134.256 92.585 38.806 129.738 -76.583 92.917 40.873 134.482 -28.407 93.560 34.007 139.792-148.721 93.809 41.384 130.326 -86.592 93.569 34.094 139.072 -84.446 93.608 46.360 146.705 -39.361 93.626 94.203 138.286-144.948 106.209-160.185 151.607 -29.434 93.274 54.728 100.699-112.593 94.236 33.832 143.415-134.122 93.771 93.185 147.607 -36.839 92.200 55.448 144.820-142.565 92.330 36.556 132.677 -90.923 92.852 78.809 130.689 -80.113 93.374 75.196 135.042 -99.799 92.840 88.565 140.225-131.800 110.962 -54.495 149.517-146.646 94.920 73.716 0.000 0.000 95.339 33.540 106.432 -82.599 92.364 47.245 142.356 -87.718 93.228 34.498 136.281-104.515 91.882 46.188 116.472 -76.229 91.062 42.012 149.020-118.531 93.065 42.102 142.622-108.678 91.054 52.436 142.404-123.615 93.669 57.901 143.296-125.156 120.419 160.736 122.261-129.932 91.705 48.710 116.102 -76.215 93.245 41.442 137.335-102.543 90.528 43.926 116.383 -75.469 92.301 38.815 129.277 -76.130 90.273 39.286 142.385-132.277 91.689 41.699 144.870 -40.793 91.559 39.411 145.058 -42.106 92.098 37.876 129.313 -76.132 92.450 42.480 129.847 -87.875 92.460 38.261 129.274 -76.213 92.898 38.666 137.633 -73.586 93.059 39.790 137.320 -90.671 91.983 45.970 144.914 -41.248 91.591 42.283 142.475-133.515 92.441 63.293 143.013-124.155 93.022 0.000 129.413 -76.268 # 30 total E -2.18279E+02 rmsd from N 0.000 %NC 0.00 1 93.619 74.996 138.147-101.986 93.604 49.355 139.443-102.664 92.826 38.024 143.662-134.133 92.480 40.961 129.485 -76.238 92.091 42.783 140.111-146.770 92.134 35.154 138.634-149.980 92.221 44.078 130.005 -85.398 89.389 43.701 139.764 -86.432 90.230 45.532 147.580-114.507 93.143 49.497 140.745 -21.290 92.927 40.124 148.943-119.328 93.310 38.556 100.831-111.382 94.479 39.037 110.887 -83.585 93.387 40.467 145.570 -39.660 91.478 41.851 142.209-132.632 92.794 46.436 132.831 -97.072 92.964 37.621 131.472 -86.497 93.018 45.599 137.795-100.001 93.118 41.388 138.705-112.820 122.038-153.654 112.572 -83.395 116.035-135.891 0.000 0.000 128.794-165.138 158.276 170.676 117.945 -15.466 166.195-123.981 93.526 -45.068 137.345-105.816 92.878 -35.363 116.342 -76.051 92.522 -51.047 146.608-110.246 94.390 -48.043 139.593-107.048 94.516 85.971 109.927 -83.419 118.109-155.322 112.143 -82.280 121.200 127.456 121.537-128.782 95.264 27.760 116.600 -76.571 93.501 48.128 138.310 -95.795 91.747 38.598 116.023 -76.435 92.576 39.726 129.371 -76.207 90.544 39.099 142.485-131.977 90.457 45.958 147.130-116.179 90.211 40.628 146.638-115.306 92.197 36.536 129.363 -76.136 92.835 39.183 130.646 -86.457 92.356 40.693 129.281 -76.215 92.599 38.445 137.525 -82.947 92.521 42.220 136.863 -90.583 91.403 46.459 143.736 -42.490 91.485 41.894 142.296-133.803 92.436 65.782 143.036-124.155 93.019 0.000 129.400 -76.283 # 31 total E -2.42954E+02 rmsd from N 0.000 %NC 0.00 1 93.609 68.952 137.785-101.398 93.625 52.315 140.115-104.985 92.907 35.597 143.684-134.138 92.437 43.149 129.487 -76.215 92.285 38.358 138.924-143.232 92.447 39.321 141.887-158.686 92.672 35.659 130.430 -84.658 90.785 41.118 140.058 -85.297 92.724 37.149 142.651 -43.978 95.844 52.447 138.032-147.654 92.286 32.512 149.129-118.524 119.833-106.322 120.374-127.542 90.721 -51.173 143.120-133.045 107.092-107.090 152.406 -27.855 106.312-132.684 148.079-147.145 94.410 39.644 134.363 -90.943 93.519 48.564 133.649 -87.525 93.286 98.841 139.654-113.157 92.849 51.252 133.735 -55.450 92.346 41.457 143.637-134.541 93.647 42.865 0.000 0.000 93.723 42.253 138.316-122.400 93.654 35.222 138.710 -91.048 93.615 39.350 136.398-105.137 93.340 39.246 115.394 -76.347 92.894 75.940 152.011-137.247 93.097 61.100 140.599-104.275 92.309 -6.849 142.934-124.641 124.376 148.655 152.682 -18.138 120.793 148.507 120.862-127.738 94.766 39.071 116.484 -76.565 93.663 43.673 135.187 -97.364 93.004 92.608 115.691 -75.712 92.757 44.740 129.406 -76.215 93.782 30.599 143.786-134.948 93.223 45.952 147.680 -37.015 91.630 40.759 145.194 -41.481 92.163 36.395 129.309 -76.146 91.957 42.483 129.267 -87.959 92.021 48.684 129.270 -76.279 92.383 36.425 135.987 -73.419 92.945 39.934 137.380 -89.894 92.580 44.864 144.973 -40.966 92.302 40.883 143.005-132.119 92.731 63.054 143.139-126.180 93.021 0.000 129.412 -76.267 # 32 total E -2.31893E+02 rmsd from N 0.000 %NC 0.00 1 93.639 79.057 138.218-101.817 93.603 48.391 139.259-102.477 92.820 38.463 143.659-134.131 92.480 40.483 129.483 -76.239 92.213 43.321 141.116-150.994 91.825 34.287 139.020-148.892 92.764 39.963 129.627 -87.426 89.522 41.270 139.015 -87.874 89.890 47.919 143.731 -44.101 89.569 57.205 136.562-139.367 92.302 67.522 146.125 -38.562 113.762 -10.890 123.780-135.648 91.822 107.514 144.051-131.658 94.058 -93.415 145.383 -40.964 92.467 84.367 143.264-133.935 93.982 95.440 131.999 -99.049 96.228 135.387 133.192 -88.524 94.460 -95.395 137.661-103.605 93.335 74.499 138.030 -88.543 94.494 48.154 144.358-136.207 94.515 36.423 0.000 0.000 93.483 46.723 139.213-123.886 92.424 37.835 139.004 -91.065 92.850 39.913 136.073-104.448 92.527 42.158 115.345 -76.263 92.387 40.051 149.467-118.378 94.016 43.580 139.540-105.042 94.368 29.622 143.981-126.409 123.528-169.147 152.969 -17.769 92.801 66.922 99.843-114.475 90.655 52.944 115.945 -76.048 92.335 77.641 135.870 -91.946 91.154 41.816 115.592 -76.317 92.495 38.951 129.371 -76.163 92.251 38.103 143.985-136.366 91.246 43.761 150.974-114.727 91.944 34.264 144.901 -41.775 92.674 36.214 129.374 -76.166 92.739 43.485 130.226 -85.957 92.346 39.302 129.293 -76.269 92.850 34.881 137.926 -77.239 93.100 40.633 137.155 -91.437 91.765 44.734 143.768 -43.363 91.815 42.691 142.190-135.283 92.351 63.069 142.969-124.073 93.022 0.000 129.410 -76.266 # 33 total E -2.36191E+02 rmsd from N 0.000 %NC 0.00 0 93.611 82.295 137.516 -98.691 93.833 48.211 139.021-103.557 93.995 36.091 144.020-134.878 92.604 41.195 129.565 -76.263 92.447 44.057 143.292-157.466 91.866 34.161 139.729-150.738 92.636 39.497 129.238 -87.090 89.054 45.876 136.534 -85.531 90.494 57.191 142.841 -45.727 89.483 107.665 135.848-140.818 102.936-138.931 150.861 -33.715 93.500 50.130 100.725-112.169 91.431 59.712 112.242 -83.037 91.936 89.032 144.666 -39.159 92.130 41.742 142.244-136.408 93.019 45.182 133.287 -90.776 93.266 98.041 131.926 -95.863 93.430 82.980 134.300-102.712 92.457 48.168 140.131-112.638 104.238-119.321 147.407-141.721 122.974-136.341 0.000 0.000 126.096 68.038 159.024 168.291 92.732 40.884 140.918 -88.058 93.513 35.893 136.500-106.264 92.018 46.202 115.909 -76.174 92.163 47.725 145.662 -39.654 93.154 51.339 139.924-104.056 91.973 52.977 142.791-124.178 117.490-163.785 152.101 -19.442 93.242 65.603 99.916-114.376 91.990 42.274 116.147 -76.245 92.756 55.534 137.181 -91.416 93.454 35.040 116.040 -76.222 93.668 34.821 129.460 -76.225 98.227 26.574 145.075-137.779 94.452 44.441 147.772 -36.159 91.159 38.219 144.609 -42.451 91.725 38.532 129.289 -76.129 92.235 43.788 129.294 -81.509 92.552 38.359 129.304 -76.093 93.272 34.966 137.897 -79.287 93.565 39.828 137.087 -92.299 92.559 43.214 144.782 -42.065 92.074 42.960 143.255-136.454 92.371 62.143 142.990-124.010 93.015 0.000 129.416 -76.270 # 34 total E -2.35951E+02 rmsd from N 0.000 %NC 0.00 1 93.765 99.637 139.564-107.129 93.417 50.027 139.232-101.249 91.823 40.224 143.335-133.377 92.269 41.265 129.616 -76.353 91.722 44.840 143.926-154.879 91.520 34.181 138.598-149.370 92.024 47.384 129.155 -88.008 87.679 66.762 139.337 -87.279 88.285 54.165 146.392-115.062 86.107 54.460 138.262-141.317 92.132 156.935 143.038 -42.604 117.058 54.370 122.723-132.331 92.189 39.009 143.205-133.723 93.830 42.932 146.236 -39.114 93.445 44.833 111.253 -81.949 92.817 42.628 132.085 -95.404 93.226 37.703 130.902 -88.465 94.026 123.744 139.699 -98.717 91.457 54.620 146.254 134.679 90.186 42.053 142.977-133.089 92.586 44.268 0.000 0.000 91.986 44.868 139.950-126.477 89.994 39.893 139.156 -92.309 92.105 45.185 135.684-103.123 89.840 47.015 115.657 -75.873 91.476 38.444 149.757-110.303 94.173 39.061 139.242-108.513 95.471 10.924 144.519-127.382 124.332 -98.849 153.409 -18.836 121.079 -68.653 121.221-128.247 91.910 80.358 116.656 -76.229 92.587 50.713 136.738-100.983 88.897 49.226 115.260 -75.690 92.097 44.300 129.098 -75.993 87.470 41.157 141.484-132.660 89.603 48.473 147.701-116.637 91.259 36.870 142.667 -44.344 92.644 36.233 129.490 -76.249 93.232 45.197 131.526 -85.586 92.638 37.388 129.288 -76.220 92.661 41.213 141.144 -83.608 92.436 41.180 133.356 -69.631 90.966 47.881 146.404-115.172 91.485 41.605 142.131-133.123 92.515 65.773 143.178-124.158 93.021 0.000 129.406 -76.261 # 35 total E -2.34530E+02 rmsd from N 0.000 %NC 0.00 1 93.603 81.506 137.475 -98.695 93.917 49.426 138.669-103.767 94.222 35.815 144.083-134.969 92.621 42.293 129.589 -76.248 92.592 46.294 143.228-153.254 92.457 32.363 140.119-151.729 93.055 46.210 130.733 -82.961 90.654 81.445 140.403 -86.790 90.832 67.781 148.206-111.810 89.151 96.816 138.246-139.255 93.201-145.341 146.102-108.408 92.311 57.977 100.443-112.140 91.692 76.776 110.411 -82.869 92.606 83.221 144.531 -39.297 91.720 39.565 142.518-135.575 93.022 50.352 133.469 -90.396 93.188 69.982 133.065 -93.020 92.717 81.879 135.643 -92.203 92.037 50.085 139.369-114.341 100.851-121.107 146.466-136.885 94.738 154.879 0.000 0.000 124.994 163.403 156.517 177.330 92.874 57.017 142.198 -88.612 93.227 33.377 136.797-105.185 91.597 48.706 116.165 -75.896 91.077 37.222 146.635-122.378 92.949 46.312 142.246-108.318 90.369 48.204 142.068-122.937 91.357 38.226 142.223-122.048 117.638 142.429 121.243-130.247 95.880 33.542 116.770 -76.630 94.353 39.587 137.864-103.815 95.874 31.768 116.404 -76.719 93.176 41.744 129.549 -76.314 92.065 36.838 142.807-133.294 92.169 41.064 145.769 -39.551 91.917 38.699 145.119 -40.813 92.185 38.375 129.373 -76.193 92.513 42.441 129.931 -87.809 92.579 37.240 129.295 -76.224 92.996 39.106 138.507 -76.257 93.072 39.346 137.133 -90.047 92.014 46.247 144.942 -41.197 91.601 42.010 142.445-133.504 92.468 63.403 143.045-124.231 93.020 0.000 129.413 -76.268 # 36 total E -2.33140E+02 rmsd from N 0.000 %NC 0.00 1 93.568 67.954 136.910 -98.061 93.830 49.503 138.858-103.175 93.657 37.179 143.927-134.627 92.503 42.065 129.440 -76.295 90.877 44.825 136.265-145.964 88.780 48.940 138.463-149.265 91.809 37.587 131.033 -90.686 88.552 51.008 142.793 -80.272 90.845 29.514 145.931-113.276 94.515 47.914 140.262-143.375 93.729 117.143 145.044 -41.610 93.968 88.279 100.002-111.841 122.985-111.127 113.637 -84.227 106.755 47.963 151.054 -29.363 92.539 38.943 143.506-134.700 93.065 55.943 137.169 -88.156 93.227 34.146 132.513 -88.130 93.360 49.224 138.574-108.218 94.134 55.136 139.095-110.523 115.669 -92.410 152.704 -21.416 95.545 97.130 0.000 0.000 119.732 29.810 160.143 171.657 93.251 37.801 138.787 -88.605 94.038 35.001 136.892-106.219 93.784 41.796 115.663 -76.015 92.895 40.446 146.922 -39.063 93.391 55.614 139.886 -96.485 92.133 52.877 142.870-124.304 116.576-162.447 152.056 -19.271 93.005 61.218 99.888-114.485 91.925 40.932 116.139 -76.255 92.829 46.283 135.153 -86.027 93.787 36.675 116.092 -76.378 93.865 30.600 129.473 -76.256 98.812 28.960 145.216-138.223 94.607 37.982 146.558 -39.767 92.445 40.386 145.399 -40.982 91.671 37.947 129.272 -76.126 91.343 45.717 129.427 -85.271 92.379 38.577 129.061 -76.055 93.152 36.476 137.947 -80.466 93.591 38.347 137.054 -92.180 92.612 44.885 145.150 -40.998 91.882 42.034 142.549-135.110 92.452 62.701 143.023-124.223 93.021 0.000 129.412 -76.266 # 37 total E -2.39684E+02 rmsd from N 0.000 %NC 0.00 1 93.635 79.689 138.177-101.587 93.586 49.361 139.448-102.495 92.932 37.555 143.698-134.206 92.483 41.171 129.479 -76.215 92.335 42.048 141.152-152.327 90.991 37.057 138.743-149.095 92.004 42.586 129.196 -87.413 89.115 42.468 138.914 -86.799 89.751 47.018 145.942-111.469 89.651 48.541 136.555-143.129 92.265 146.302 144.917 -39.721 92.651 82.646 100.935-116.651 91.360 52.641 142.545-133.282 92.780 140.813 145.814 -40.063 96.146 75.551 145.223-135.780 94.395 26.561 133.265 -91.596 93.920 55.278 135.755 -87.897 93.457 105.731 136.011-107.029 93.118 59.432 135.724 -66.843 92.973 38.519 143.895-135.478 93.234 44.017 0.000 0.000 91.684 50.876 137.498-128.574 89.109 41.195 138.346 -92.249 92.048 41.038 133.112 -92.375 91.708 44.172 115.069 -75.469 92.248 37.658 149.508-122.447 94.426 36.950 139.415-109.114 95.418 34.769 144.491-127.505 107.829-172.227 150.719-137.894 120.315 -1.110 121.325-129.006 93.895 58.865 116.506 -76.404 93.585 34.161 137.390-103.331 90.789 46.447 116.125 -76.457 91.651 48.713 129.280 -76.176 87.396 48.222 141.436-130.428 90.793 41.563 145.060 -39.100 91.113 41.036 146.296 -38.605 91.780 37.827 129.276 -76.093 91.624 43.841 129.370 -88.025 91.820 42.839 129.275 -76.196 92.383 38.460 137.611 -75.714 92.600 39.760 137.335 -90.239 91.706 48.608 144.778 -41.450 91.041 41.544 141.915-128.923 92.539 64.411 143.067-124.508 93.023 0.000 129.415 -76.269 # 38 total E -2.43849E+02 rmsd from N 0.000 %NC 0.00 1 93.957 132.595 139.656-104.180 93.143 52.791 138.219-101.825 91.591 44.297 143.258-133.291 92.542 37.971 129.412 -76.178 93.020 40.009 141.961-152.702 91.921 37.626 140.810-164.109 91.393 40.745 129.022 -86.840 87.867 42.845 135.422 -86.426 90.488 46.538 140.974 -47.310 92.527 38.799 137.426-141.637 93.080 130.976 146.296 -38.485 93.588 72.619 99.717-111.738 93.477 29.164 143.338-134.587 93.537 56.165 145.793 -39.052 93.877 109.188 143.042-128.946 94.567 37.452 133.387 -96.100 94.389 36.130 133.880 -87.909 93.708 73.713 137.885-106.973 93.306 58.652 135.925 -68.189 94.663 32.458 144.044-135.371 97.453 38.570 0.000 0.000 98.298 32.056 106.456 -82.140 92.687 46.905 145.217 -91.012 92.997 35.142 137.436-101.773 90.696 45.066 116.452 -76.172 89.747 51.038 147.001-112.356 92.703 47.839 140.640 -97.425 90.360 49.163 142.048-123.111 93.260 47.772 143.146-123.447 120.502 178.562 121.651-129.269 93.140 52.193 116.345 -76.342 93.493 41.019 137.386-103.053 90.554 44.956 116.355 -75.990 91.923 43.208 129.349 -76.209 88.152 42.746 141.685-130.757 90.853 44.096 145.108 -40.530 90.746 39.834 144.195 -41.666 91.883 38.550 129.294 -76.103 92.084 43.867 129.796 -87.874 92.333 37.943 129.253 -76.188 92.874 39.020 138.075 -73.587 93.026 39.313 137.323 -90.670 91.987 46.245 144.894 -41.271 91.545 42.087 142.356-133.083 92.452 63.347 143.012-124.242 93.019 0.000 129.418 -76.271 # 39 total E -2.40519E+02 rmsd from N 0.000 %NC 0.00 1 93.613 77.496 137.783-100.217 93.690 48.763 139.522-103.914 93.178 37.448 143.769-134.348 92.526 40.606 129.457 -76.194 93.044 43.121 142.849-146.878 92.924 34.439 139.254-150.382 93.114 40.497 129.828 -87.399 91.511 38.013 138.574 -86.501 91.344 47.590 149.299-122.085 92.688 53.521 138.311-142.079 93.884 67.478 146.359 -38.596 121.573-138.728 121.679-128.520 92.742 73.529 143.299-134.588 91.874 130.594 145.096 -41.446 95.645 65.084 142.163-138.740 93.981 31.842 133.334 -91.556 93.445 49.887 136.916 -90.708 92.729 55.535 135.700 -91.494 92.584 58.204 141.477-131.978 91.974 16.642 143.440-133.191 109.743-117.401 0.000 0.000 125.353-121.950 156.856 174.068 96.330 35.525 143.521 -89.979 93.046 51.434 143.065-122.088 90.309 58.440 115.679 -76.107 91.519 122.401 148.070-114.954 93.933 75.656 141.576-121.156 93.584 -10.595 109.523 -83.539 120.227 141.687 152.252 -18.933 122.507 170.317 120.476-126.221 95.320 34.640 116.663 -76.592 94.093 40.934 137.982-104.258 90.929 49.706 117.117 -76.237 91.833 42.519 129.311 -76.168 87.942 41.133 141.726-130.483 89.966 47.887 148.442-116.367 91.195 36.791 143.380 -44.175 92.680 36.063 129.388 -76.159 93.351 41.595 130.397 -86.705 92.663 37.356 129.565 -76.550 92.557 41.110 139.465 -76.338 92.232 40.916 137.306 -89.950 90.891 51.888 144.532 -42.157 90.401 41.529 141.330-125.135 92.540 66.164 143.058-124.315 93.024 0.000 129.415 -76.270 # 40 total E -2.43550E+02 rmsd from N 0.000 %NC 0.00 1 93.904 129.175 139.241-102.907 93.217 45.361 138.088 -98.797 91.909 46.639 143.331-133.559 92.817 34.581 129.415 -76.217 94.302 42.083 146.947-169.859 91.639 34.855 141.771-156.176 92.460 44.233 129.573 -87.184 89.312 41.405 138.349 -86.440 89.341 54.334 146.189-109.351 87.564 52.041 135.178-141.603 92.340 131.949 144.944 -40.388 92.552 76.960 100.977-114.781 92.407 46.511 142.982-133.774 94.028 175.895 146.620 -37.299 94.066 79.351 144.137-139.129 93.551 41.557 131.437 -91.333 92.929 49.350 134.870 -82.205 93.005 53.074 140.541-108.183 91.426 41.129 133.111 -44.409 91.813 43.965 143.566-134.902 92.183 43.016 0.000 0.000 90.919 47.791 136.848-125.768 90.402 37.516 138.483 -92.513 92.567 42.427 135.882-103.530 90.531 45.170 115.745 -76.186 91.233 45.669 150.794-121.903 93.795 47.856 139.587-109.007 94.238 -5.594 143.878-126.209 116.659 169.962 151.886 -19.593 94.124 66.873 99.774-114.398 97.606 19.226 117.043 -76.820 94.683 48.235 138.507-105.108 92.267 41.587 115.789 -77.155 91.843 45.686 129.344 -76.239 86.867 45.642 141.385-129.925 90.804 46.796 144.777 -39.436 90.440 40.975 145.538 -39.759 91.599 37.530 129.273 -76.083 91.770 44.409 129.460 -87.493 91.934 42.434 129.299 -76.211 91.970 38.045 138.285 -78.326 91.960 44.289 137.256 -90.241 90.717 50.844 143.671 -43.495 90.487 41.948 141.732-125.099 92.529 65.804 143.063-124.340 93.024 0.000 129.418 -76.272 # 41 total E -2.32956E+02 rmsd from N 0.000 %NC 0.00 0 93.986 137.965 139.317-102.345 93.131 56.801 138.836-100.131 92.208 41.537 143.438-133.680 92.690 36.629 129.424 -76.131 93.645 40.379 141.078-147.374 91.881 36.591 137.478-160.719 91.278 41.733 129.007 -86.583 86.689 51.523 139.463 -86.944 88.843 42.178 141.157 -46.985 90.354 52.586 138.931-140.131 93.645 38.629 145.456 -39.311 93.304 43.376 101.264-111.649 91.284 57.987 141.062-130.419 92.055-119.513 145.373-115.480 92.844 109.406 143.454-134.958 96.773 173.804 132.705 -95.364 118.700 110.143 156.270-124.100 94.882-173.875 137.091-103.190 117.811-137.660 143.987-110.134 94.814 24.158 144.231-135.375 124.372-109.261 0.000 0.000 125.875-146.704 157.839 174.766 92.187 47.310 141.498 -90.127 93.076 38.322 136.797-105.147 91.038 42.890 115.496 -76.082 90.760 50.180 147.691-116.415 93.068 50.076 140.977 -99.389 91.080 45.944 142.388-123.755 93.905 46.185 143.535-124.153 121.675 176.580 121.445-128.348 93.009 53.489 116.333 -76.349 93.451 42.457 137.358-103.085 90.083 45.595 116.202 -76.040 91.773 45.529 129.339 -76.202 87.821 44.045 141.595-130.587 90.735 44.483 145.143 -39.697 90.614 40.747 144.391 -40.849 91.813 38.042 129.286 -76.097 92.021 43.062 129.670 -88.001 92.242 39.174 129.237 -76.177 92.768 38.583 137.291 -71.802 93.004 39.783 137.367 -90.443 91.969 45.975 144.892 -41.281 91.584 42.241 142.413-133.177 92.451 63.279 143.002-124.233 93.022 0.000 129.414 -76.268 # 42 total E -2.35761E+02 rmsd from N 0.000 %NC 0.00 1 93.618 75.378 137.922-101.055 93.658 52.573 141.243-106.538 92.615 35.507 143.604-134.006 92.270 43.440 129.472 -76.207 91.544 43.816 140.029-150.066 91.090 36.339 140.750-149.868 92.178 41.060 129.247 -87.773 90.241 39.312 138.563 -86.701 90.091 49.006 147.994-111.016 90.838 46.224 137.080-139.827 93.830 35.578 146.707 -38.903 93.254 41.203 101.037-110.035 93.679 40.344 110.711 -82.456 94.092 36.884 146.146 -39.216 94.132 34.831 143.543-134.932 92.936 47.757 131.395 -91.050 92.934 69.827 132.225 -91.278 92.385 51.842 138.022 -99.884 91.369 28.717 139.795-110.393 99.925 -86.037 145.903-136.695 126.928 -72.714 0.000 0.000 130.852 -79.866 160.219 162.914 92.881 44.648 141.973 -92.013 92.986 41.618 136.830-104.984 91.782 53.871 115.544 -76.532 90.866 84.726 149.404-121.213 93.753 66.731 139.096-113.496 93.468 -7.154 143.496-125.665 123.160 143.852 152.631 -18.369 120.916 156.181 121.315-128.498 94.656 38.645 116.542 -76.538 93.623 42.815 137.347-103.403 91.548 84.458 116.406 -75.818 92.762 47.733 129.403 -76.225 92.901 28.803 143.518-134.342 92.017 50.982 146.822 -38.701 90.406 42.256 143.706 -45.005 91.779 37.937 129.297 -76.121 91.780 42.241 129.375 -81.746 92.198 42.628 129.111 -76.077 93.113 36.788 135.360 -72.058 93.415 38.541 137.369 -90.604 92.489 48.634 145.903 -40.266 91.033 46.227 142.577-135.054 91.606 71.376 142.602-123.603 93.019 0.000 129.362 -76.240 # 43 total E -2.43718E+02 rmsd from N 0.000 %NC 0.00 1 93.648 76.374 138.508-103.338 93.542 51.212 139.746-102.292 92.078 38.932 143.420-133.576 92.357 41.850 129.384 -76.156 92.431 41.966 138.044-142.524 92.836 35.217 139.002-151.533 92.749 40.525 129.647 -87.319 91.225 36.929 136.333 -84.481 92.233 46.190 148.980-122.028 94.200 54.364 138.142-143.764 94.229 71.852 146.900 -38.842 121.471-142.919 121.579-128.500 94.153 44.434 143.773-135.461 92.232 45.704 144.583 -39.036 90.468 47.937 142.370-139.754 92.688 45.499 132.894-103.592 92.995 32.542 130.923 -89.506 93.797 129.790 138.463-110.081 93.946 63.637 139.446-100.878 93.374 35.134 143.928-134.728 95.581 40.396 0.000 0.000 94.897 37.687 137.533-125.457 92.525 39.844 140.703 -93.466 92.648 37.917 136.042-104.101 92.175 39.371 115.150 -76.349 91.213 46.441 148.672-120.564 92.880 43.446 137.313 -80.953 91.547 45.802 142.628-124.389 93.255 129.910 143.315-126.798 93.366 86.421 99.584-113.126 92.549 52.244 116.207 -76.326 93.903 161.420 137.576-101.590 92.571 50.081 116.455 -76.060 92.485 38.642 129.391 -76.152 89.121 44.608 142.245-131.085 89.958 43.209 144.434-115.761 88.825 46.850 149.460-127.525 90.975 41.305 129.265 -76.057 90.906 42.032 129.516 -86.397 91.623 41.338 129.159 -76.006 92.434 40.999 137.881 -86.137 92.509 39.211 137.003 -92.420 90.860 50.147 143.595 -41.454 91.401 40.901 139.721-134.179 92.482 65.801 143.031-124.492 93.023 0.000 129.410 -76.267 # 44 total E -2.31403E+02 rmsd from N 0.000 %NC 0.00 1 93.607 61.556 137.716-102.502 93.554 50.063 138.834 -96.849 93.768 39.625 144.093-135.629 92.891 35.445 129.813 -76.651 93.399 41.848 133.697 -27.807 94.984 32.167 137.413-151.597 94.087 40.965 131.636 -84.882 93.911 31.650 140.316 -85.531 93.643 49.204 148.233 -36.291 92.714 47.682 143.062-136.555 93.932 37.985 148.378-115.691 95.543 32.653 100.426-110.973 96.536 45.811 144.231-134.495 94.233 169.742 152.182-129.520 108.361-101.398 149.044-148.247 94.669 29.708 134.314 -91.262 94.832 55.570 134.268 -87.345 94.452 -31.529 138.691-102.914 119.345 -98.333 142.055-105.065 119.074 -55.758 112.671 -83.802 141.817 -75.743 0.000 0.000 142.555 -70.091 110.128 -89.205 92.384 46.525 138.882 -88.451 94.074 32.514 134.537-101.360 94.528 43.691 115.923 -76.333 93.372 108.033 149.779-127.555 93.589 60.206 140.837-111.110 92.673 -9.507 109.367 -83.528 116.212-174.012 151.773 -19.769 120.547 141.160 121.621-129.197 92.325 45.489 116.139 -76.266 93.321 39.233 135.804-104.330 90.506 45.583 116.537 -75.751 92.217 39.999 129.310 -76.174 90.164 37.230 142.332-132.028 90.871 47.213 145.946 -40.494 90.345 40.390 142.607 -44.785 91.762 38.209 129.292 -76.104 91.968 44.597 129.374 -86.621 92.598 37.643 128.956 -76.002 93.336 36.613 137.721 -79.560 93.674 38.575 137.104 -92.422 92.861 42.701 145.011 -40.957 92.407 42.737 142.798-137.817 92.424 61.549 142.956-124.341 93.020 0.000 129.413 -76.265 # 45 total E -2.31681E+02 rmsd from N 0.000 %NC 0.00 0 93.770 107.621 139.006-104.310 93.310 52.209 139.451-101.710 91.904 41.071 143.360-133.445 92.478 38.819 129.454 -76.205 92.814 42.293 143.715-150.614 92.345 35.003 138.523-151.158 92.185 43.163 129.415 -86.691 88.104 53.472 140.210 -87.190 89.585 36.580 142.757 -99.876 92.969 58.576 140.419-141.908 94.149 69.679 146.409 -39.547 122.219-145.127 121.247-126.976 91.070 71.965 142.292-132.358 91.972 122.478 145.226 -41.823 94.028 64.643 143.028-135.130 93.540 33.825 133.124 -91.450 93.026 48.866 135.309 -89.317 92.677 48.758 132.697 -91.438 92.522 59.290 139.484-135.564 92.443 42.966 143.573-133.482 94.143 107.351 0.000 0.000 124.876 161.695 156.363 176.593 114.592 -99.840 139.838 -86.007 92.774 47.989 137.487-106.349 89.116 48.199 115.261 -75.934 90.625 48.869 143.809 -43.516 93.209 53.645 138.198 -97.958 93.136 92.505 109.313 -83.549 116.412-117.032 152.151 -20.488 92.792 79.437 100.067-114.267 91.154 42.191 115.865 -76.129 92.968 47.814 138.626-104.081 90.622 37.919 115.608 -75.957 92.375 39.817 129.341 -76.167 89.683 42.420 142.177-131.333 90.182 42.858 146.260-114.108 90.869 39.323 144.524 -41.689 91.864 38.367 129.319 -76.116 92.040 44.463 131.426 -84.651 92.335 37.214 129.291 -76.199 92.984 37.185 137.766 -79.200 93.225 43.110 137.176 -91.964 92.115 39.660 143.534 -42.562 93.229 44.684 142.524-144.110 92.308 60.678 142.928-124.044 93.018 0.000 129.411 -76.262 # 46 total E -2.35753E+02 rmsd from N 0.000 %NC 0.00 0 93.620 76.967 137.964-101.039 93.655 50.698 140.839-105.981 92.577 37.323 143.587-134.080 92.366 41.577 129.455 -76.243 92.108 44.318 141.111-147.312 95.493 28.779 142.666-142.137 96.424 33.532 132.667 -89.359 99.227 26.422 140.210 -85.011 95.403 40.750 146.581 -38.427 94.309 54.606 137.139-152.880 92.869 40.633 145.581 -40.584 94.647 27.206 99.930-109.869 95.634 52.942 110.581 -82.477 92.854 46.320 145.587 -42.514 90.687 54.742 144.840-135.503 93.055 44.158 132.594 -92.625 96.053-121.629 133.193 -88.161 94.316 120.557 137.814-103.933 115.497 173.132 142.891-152.029 94.681 74.815 144.243-135.275 96.631 78.198 0.000 0.000 94.482 36.510 138.506-120.582 94.665 39.744 141.230 -91.377 93.583 31.927 136.346-105.483 93.219 44.915 115.308 -76.436 93.170 57.035 146.358 -39.746 92.797 55.503 140.397 -99.592 90.500 33.936 142.074-122.935 113.680-162.243 151.583 -20.431 93.380 90.754 99.852-114.231 91.270 43.749 116.039 -76.178 92.627 75.262 138.607-109.471 90.443 46.678 115.090 -75.848 92.479 42.276 129.387 -76.146 93.824 32.203 143.728-134.801 93.214 42.026 147.070 -37.025 91.127 39.116 148.568-121.959 92.319 38.166 129.354 -76.159 92.612 38.402 129.765 -88.132 92.245 41.891 129.411 -76.291 92.718 37.759 137.022 -80.311 92.814 40.421 137.191 -91.897 91.735 47.262 144.760 -41.447 91.264 42.046 142.220-131.036 92.471 63.934 143.030-124.265 93.018 0.000 129.410 -76.260 # 47 total E -2.40024E+02 rmsd from N 0.000 %NC 0.00 0 93.758 97.155 139.491-107.095 93.374 51.444 139.298-101.469 91.790 40.686 143.331-133.410 92.327 40.629 129.402 -76.133 92.697 43.351 141.227-148.784 92.479 34.234 138.271-148.307 92.574 44.267 129.722 -92.215 89.576 42.541 138.483 -87.244 89.972 62.104 147.308-117.385 90.988 101.231 136.274-141.559 100.645-135.424 148.848 -34.232 120.427 20.240 121.688-129.016 92.990 55.281 143.472-134.154 92.135 95.714 146.984 -39.332 92.574 55.098 143.771-136.766 92.103 34.553 132.773 -91.169 92.146 60.396 131.411 -87.853 92.863 47.827 129.684 -79.952 95.862 29.831 137.744 -99.395 98.878 32.512 145.681-138.680 98.393 33.689 0.000 0.000 95.833 41.786 140.047-130.309 94.842 31.930 138.896 -91.990 93.811 36.357 136.647-105.959 93.342 43.419 115.728 -76.697 92.084 45.043 144.960 -39.297 93.086 37.038 139.738-101.038 92.709 47.440 143.199-125.096 94.661 -98.817 143.620-123.767 119.863 -97.682 121.413-129.371 92.427 81.287 116.353 -76.280 92.948 67.115 136.616-102.392 90.952 99.966 115.435 -76.027 92.977 54.654 129.265 -75.987 95.057 24.900 144.192-136.200 93.525 45.532 146.476 -38.215 91.975 36.363 142.398 -45.958 92.831 40.583 129.077 -76.064 93.842 41.008 130.520 -88.457 93.869 29.639 129.428 -76.292 94.441 42.492 142.588 -90.897 93.314 37.103 135.522 -80.400 92.479 43.112 145.156 -40.788 93.084 35.813 142.709-134.007 93.804 42.809 143.477-124.806 93.045 0.000 129.532 -76.371 # 48 total E -2.27014E+02 rmsd from N 0.000 %NC 0.00 1 93.865 129.306 138.602-100.206 93.270 51.785 139.297-104.267 92.088 43.778 143.414-133.634 92.655 34.360 129.426 -76.200 93.509 46.134 146.867-156.226 93.814 29.115 140.867-150.236 94.386 38.705 131.796 -85.071 94.388 34.125 139.396 -83.895 93.096 44.898 146.038 -43.098 93.888 50.878 141.289-140.332 91.826 41.303 148.306-113.939 123.900-121.695 118.877-122.938 96.739 -92.963 111.583 -82.531 92.947 46.892 147.877-113.930 96.700 61.970 144.639-137.435 97.075-166.930 134.359 -82.061 116.122 169.062 155.196 -94.861 94.380-169.318 135.613 -97.650 123.236-162.175 141.005-122.136 93.212 3.231 142.494-133.953 103.234 -66.797 0.000 0.000 126.543-158.004 158.069 174.097 91.683 48.933 144.126 -90.508 92.989 36.029 138.266-103.605 90.799 45.008 115.874 -75.893 89.869 44.034 145.590-114.418 92.898 48.563 140.484-102.350 90.510 47.106 142.110-123.115 92.079 43.158 142.579-122.369 119.116 159.885 121.518-129.948 93.461 45.731 116.400 -76.390 93.964 40.541 137.677-103.337 94.520 34.903 116.239 -76.073 92.986 40.987 129.441 -76.302 91.336 39.548 142.584-132.683 92.026 42.578 145.634 -40.037 92.466 35.670 144.253 -40.906 92.571 39.375 129.476 -76.238 93.163 42.890 130.295 -87.657 92.800 35.227 129.315 -76.207 93.207 40.354 139.290 -80.778 93.038 38.458 136.596 -87.639 92.036 46.696 144.990 -41.127 91.573 41.730 142.367-133.403 92.482 63.444 143.059-124.194 93.024 0.000 129.415 -76.269 # 49 total E -2.34540E+02 rmsd from N 0.000 %NC 0.00 1 93.628 74.255 138.133-102.060 93.583 50.799 139.775-102.905 93.000 36.493 143.717-134.222 92.496 41.724 129.488 -76.220 92.397 40.196 140.270-146.406 92.293 37.438 139.231-152.003 92.522 39.968 129.590 -86.536 89.392 41.376 141.071 -88.070 89.608 51.623 147.572-108.948 89.772 49.981 136.898-140.369 90.970 50.376 147.533-109.386 119.377-112.085 121.169-128.864 92.929 110.783 110.995 -83.024 92.794 62.120 150.072-125.585 92.342 39.863 145.087-136.864 92.987 38.467 133.851 -91.996 92.824 53.178 131.336 -85.662 92.911 88.198 134.566 -94.568 91.369 49.516 136.735-118.073 91.922 30.871 143.428-133.122 111.815-102.355 0.000 0.000 129.565-124.936 159.172 172.166 90.949 46.120 141.815 -88.996 92.591 41.870 136.737-105.016 90.413 42.774 115.135 -76.103 90.880 46.912 147.892-117.813 93.325 53.946 138.012 -97.074 92.422 34.824 143.010-124.690 114.727 -98.056 151.989 -20.519 119.127 100.357 121.749-130.198 91.194 44.341 115.549 -76.042 93.102 56.679 135.328 -97.369 92.973 35.945 115.920 -76.374 93.099 35.783 129.416 -76.208 91.154 43.572 142.808-131.453 91.744 43.462 143.559 -43.573 92.258 35.866 144.914 -41.455 92.792 36.911 129.373 -76.153 93.564 43.159 131.767 -87.223 92.735 37.969 129.385 -76.196 93.426 35.559 137.935 -76.446 93.981 37.390 137.109 -91.885 93.321 42.964 145.661 -40.459 92.336 42.392 142.943-137.580 92.425 61.826 142.997-124.148 93.019 0.000 129.409 -76.267 # 50 total E -2.33982E+02 rmsd from N 0.000 %NC 0.00 1 93.551 62.833 136.543 -97.451 93.352 54.820 140.777-111.279 91.703 43.505 143.297-133.328 92.460 36.838 129.390 -76.163 92.899 44.528 143.973-152.170 92.230 33.172 138.056-148.850 93.176 42.517 130.698 -83.914 91.658 36.440 139.905 -84.331 91.660 48.038 151.352-130.826 91.440 41.909 137.150-141.886 92.847 32.269 147.924-114.468 120.923-160.577 121.325-128.335 93.606 67.916 143.572-135.785 92.436 64.881 148.580-118.483 92.817 116.966 142.954-130.279 93.833 58.953 133.439 -95.316 93.249 71.791 133.099 -87.597 93.362 62.298 135.151 -99.896 93.023 67.288 142.424 -95.181 91.751 23.179 143.335-133.136 105.318-141.702 0.000 0.000 129.284 -82.354 160.748 163.930 92.965 48.522 142.519 -91.857 92.740 37.964 138.739-102.683 91.071 45.333 115.109 -76.150 91.357 84.579 147.404-118.453 93.668 78.267 141.813-115.039 91.473 57.107 142.567-124.082 93.619-150.342 144.132-124.845 93.040 70.743 99.859-114.687 91.788 43.382 116.129 -76.225 92.869 48.245 137.993-101.365 90.891 41.264 115.546 -75.977 92.315 37.805 129.351 -76.149 90.351 42.248 142.500-132.059 90.904 40.202 144.640-111.071 90.410 43.391 147.257-125.768 91.610 42.147 129.320 -76.106 91.683 42.585 129.883 -83.890 92.352 38.428 129.061 -75.980 93.347 37.036 137.497 -85.984 93.794 38.238 136.816 -93.512 92.633 45.354 146.022 -39.752 91.765 42.225 142.535-134.864 92.396 63.620 143.002-124.143 93.021 0.000 129.407 -76.264 # 51 total E -2.39112E+02 rmsd from N 0.000 %NC 0.00 1 93.603 57.504 137.580-102.604 93.619 52.329 139.610-103.419 93.229 37.641 143.796-134.571 92.542 39.636 129.853 -76.607 93.016 40.462 136.221 -26.943 92.990 35.256 139.542-149.989 93.080 41.511 129.738 -90.318 91.193 38.209 138.916 -84.799 91.741 52.503 145.118 -41.098 90.366 73.432 137.818-140.709 93.327-167.471 145.572 -39.270 92.756 65.152 100.719-113.688 92.158 46.907 142.642-132.931 92.536 87.174 147.119 -37.781 90.950 48.635 142.626-133.307 92.113 38.533 132.689 -91.124 92.070 50.589 130.370 -91.081 92.353 43.022 125.156 -70.983 92.421 49.900 135.392-166.658 91.234 30.436 143.207-132.594 100.901 -99.478 0.000 0.000 127.169-131.778 158.591 173.176 91.078 44.719 142.245 -91.004 92.730 36.734 136.771-104.885 90.212 44.786 115.363 -76.011 91.009 46.056 144.526 -43.063 92.904 47.973 136.707 -84.081 90.747 55.139 142.236-123.421 92.432-172.300 142.726-123.522 92.675 71.902 99.862-114.875 91.552 44.038 116.101 -76.193 93.160 42.292 137.003 -97.457 92.181 37.984 115.779 -76.142 92.646 37.647 129.361 -76.179 92.142 38.478 142.873-133.138 91.974 38.037 146.203-111.468 92.603 38.038 145.966 -40.879 92.364 38.453 129.341 -76.157 92.300 42.397 130.278 -86.822 92.309 38.702 129.346 -76.249 92.858 38.628 137.969 -75.108 92.988 39.357 137.300 -90.930 91.887 46.855 144.838 -41.346 91.430 42.013 142.049-132.324 92.464 63.622 143.014-124.287 93.022 0.000 129.413 -76.268 # 52 total E -2.44634E+02 rmsd from N 0.000 %NC 0.00 1 93.652 83.636 138.361-102.082 93.571 51.577 140.839-105.936 92.540 36.579 143.574-133.872 92.342 42.490 129.488 -76.198 91.812 43.488 140.834-155.953 90.985 36.377 138.612-153.996 91.661 44.893 128.775 -87.339 86.733 57.873 137.990 -85.790 88.449 48.990 144.103-105.682 89.296 51.585 138.898-138.600 93.166 58.085 147.014 -38.681 120.260 -69.239 121.544-128.613 94.600-176.840 143.695-134.670 111.678 161.916 152.716 -25.967 103.458 -95.308 146.644-142.016 93.755 52.182 134.289 -90.344 93.355 64.954 133.473 -87.517 93.014 80.331 136.287-100.491 92.355 45.086 137.919 -94.648 91.268 47.735 143.366-133.974 91.879 49.351 0.000 0.000 92.315 44.500 139.467-126.334 90.603 39.159 140.328 -91.817 92.446 39.220 135.906-103.645 91.421 42.410 115.305 -76.214 90.893 45.784 148.886-120.946 93.315 38.216 138.538 -97.646 91.964 56.688 142.854-124.510 93.590 164.622 143.032-124.841 92.679 56.210 99.967-115.204 91.175 43.256 116.037 -76.174 92.698 49.331 138.084-101.874 89.526 43.663 115.810 -76.000 92.092 40.306 129.314 -76.151 88.762 41.841 142.026-131.125 90.246 54.321 146.312 -40.398 89.723 42.503 143.703 -42.642 91.431 37.093 129.273 -76.077 91.774 45.091 129.509 -86.413 92.090 42.076 129.209 -76.102 92.311 36.757 137.912 -78.755 92.564 42.089 137.231 -90.945 91.542 46.238 143.891 -42.606 91.409 42.570 142.445-132.318 92.420 63.646 143.016-124.132 93.022 0.000 129.414 -76.269 # 53 total E -2.42248E+02 rmsd from N 0.000 %NC 0.00 1 93.549 72.140 136.507 -95.868 93.936 48.725 139.842-106.682 94.840 34.422 144.279-135.501 92.930 39.675 129.504 -76.223 93.064 42.098 139.948-144.872 91.957 36.757 137.738-158.964 91.899 43.554 129.105 -87.494 87.919 58.999 139.966 -86.244 89.446 40.244 143.004 -98.861 92.836 55.483 140.644-144.292 95.013 67.725 147.164 -38.255 123.623-133.488 120.708-125.410 91.520 73.132 142.959-133.644 91.118 130.440 144.565 -43.375 96.104 66.916 142.431-141.768 93.523 30.438 133.135 -91.444 93.255 47.685 134.882 -87.943 93.034 48.414 135.202 -89.946 93.505 37.274 142.515-120.608 94.464 36.649 144.239-135.703 96.852 33.633 0.000 0.000 94.597 44.908 140.774-128.220 91.867 33.714 139.564 -94.833 92.827 44.424 136.154-104.475 92.007 50.889 116.039 -76.222 90.638 44.899 146.069-100.127 93.944 47.950 140.151-116.944 94.422 -72.421 143.975-126.291 120.134 -97.822 152.797 -19.286 119.395 109.141 122.390-130.968 91.909 46.741 116.111 -76.228 92.671 58.922 136.128 -95.301 90.707 43.546 115.749 -76.600 92.086 39.906 129.369 -76.186 87.835 50.746 141.753-130.245 89.092 59.353 146.164-121.441 89.972 44.240 143.262 -41.929 91.644 38.724 129.310 -76.089 92.269 43.040 130.121 -87.597 92.308 40.394 129.362 -76.231 92.055 40.008 138.981 -77.758 91.999 43.481 137.301 -90.294 90.759 49.489 143.736 -42.850 90.786 42.177 142.136-127.662 92.470 65.322 143.032-124.262 93.024 0.000 129.416 -76.271 # 54 total E -2.42628E+02 rmsd from N 0.000 %NC 0.00 1 93.632 102.942 136.809 -95.800 93.754 46.661 139.600-104.627 94.273 35.221 144.130-135.290 92.704 40.093 129.854 -76.592 93.156 40.528 141.004 -22.308 90.143 38.241 138.675-149.663 91.730 43.171 129.554 -91.353 89.241 38.711 140.254 -85.734 90.832 45.467 144.916 -42.294 92.631 52.821 136.946-140.186 92.376 43.010 146.776-109.193 93.373 42.635 100.865-114.421 92.959 76.781 141.682-131.452 115.139-123.835 153.533-129.420 94.246 149.673 143.870-135.750 125.949-148.943 153.262-109.389 93.801 55.413 133.660 -89.022 92.798 96.902 136.821 -97.783 92.937 63.965 135.261 -91.292 93.572 37.755 144.052-136.155 93.649 39.577 0.000 0.000 91.604 48.930 134.517-124.536 90.474 41.682 138.148 -92.905 92.273 41.025 135.896-103.900 91.002 42.206 115.208 -76.154 90.886 42.611 146.464-112.675 93.465 42.968 140.843-111.729 91.843 50.059 142.780-124.322 93.196 43.795 143.039-123.192 120.937 168.938 121.812-129.301 92.422 51.442 116.223 -76.293 93.348 42.051 137.450-103.636 90.057 46.548 116.508 -75.686 91.776 41.731 129.368 -76.235 87.569 44.297 141.556-130.385 90.102 48.007 144.423 -41.532 90.459 40.796 143.118 -42.310 91.964 37.453 129.310 -76.107 92.548 42.584 129.805 -88.013 92.606 38.074 129.254 -76.192 92.896 38.676 137.999 -74.449 93.039 39.391 137.304 -90.822 91.984 46.348 144.898 -41.265 91.528 42.080 142.359-133.026 92.457 63.405 143.018-124.199 93.022 0.000 129.413 -76.268 # 55 total E -2.43246E+02 rmsd from N 0.000 %NC 0.00 1 93.879 125.833 139.225-103.161 93.223 45.635 137.947 -98.404 92.312 46.157 143.452-133.849 92.929 34.183 129.437 -76.229 94.318 41.560 146.065-168.116 91.681 35.312 142.161-156.507 92.304 44.125 129.518 -87.023 89.098 41.527 138.462 -86.479 89.360 54.693 146.364-109.882 87.477 52.704 135.197-141.638 92.292 132.740 144.895 -40.457 92.548 77.233 100.979-114.790 92.376 45.856 142.969-133.746 94.022 176.004 146.624 -37.304 94.046 79.230 144.136-139.166 93.542 41.840 131.436 -91.333 92.939 48.790 134.828 -81.947 93.010 51.361 140.121-107.197 91.460 41.764 133.581 -46.917 91.942 43.791 143.585-134.845 92.389 42.347 0.000 0.000 91.044 45.718 134.953-123.708 90.840 38.116 138.338 -91.977 92.651 42.370 135.898-103.580 90.875 42.188 115.526 -76.089 92.016 58.186 150.008-120.732 93.811 68.444 139.581-104.509 92.655 -61.329 143.044-124.802 114.887-148.222 151.724 -20.007 122.602 115.390 120.401-126.329 95.112 25.779 116.634 -76.544 94.090 49.864 137.652-103.334 92.604 36.213 115.929 -76.616 92.154 43.789 129.383 -76.262 88.034 46.387 141.706-130.611 91.068 45.896 144.860 -39.668 90.661 40.278 145.755 -39.239 91.714 37.252 129.282 -76.090 91.869 44.590 129.496 -87.298 91.935 42.766 129.306 -76.226 91.931 37.548 138.310 -78.478 91.948 44.509 137.253 -90.303 90.709 50.336 143.501 -43.785 90.563 42.024 141.831-125.653 92.518 65.635 143.058-124.337 93.024 0.000 129.418 -76.272 # 56 total E -2.41854E+02 rmsd from N 0.000 %NC 0.00 1 93.590 75.240 137.346 -98.746 93.761 51.094 140.954-106.827 93.128 35.405 143.757-134.305 92.475 41.793 129.492 -76.235 92.308 43.237 141.341-147.451 92.839 34.680 139.238-159.035 92.613 36.542 129.474 -88.154 88.755 48.330 138.017 -87.273 89.503 58.689 139.260 -51.707 88.105 70.251 135.435-140.175 92.354-167.415 144.957 -40.931 92.799 67.077 100.837-113.885 92.076 50.576 142.669-132.726 93.147 95.891 147.001 -37.064 91.389 60.119 144.741-140.306 92.012 38.813 133.491 -91.957 92.131 55.484 131.962 -87.133 92.443 94.827 132.715 -89.335 91.848 53.996 137.273-123.235 90.437 45.944 143.255-134.165 91.185 47.729 0.000 0.000 90.162 54.340 135.810-117.615 90.616 40.307 139.169 -90.669 92.618 38.983 135.706-103.137 91.792 43.390 115.385 -76.065 91.729 45.057 149.179-121.476 93.365 43.382 140.404-107.214 92.460 7.869 143.066-124.825 119.740 146.793 111.737 -82.124 93.243 48.104 100.076-115.037 92.530 39.994 116.253 -76.330 93.388 63.283 137.663-104.195 92.623 139.406 116.540 -75.869 92.473 44.052 129.366 -76.156 90.037 40.504 142.621-131.976 91.382 44.580 143.931 -41.005 91.620 36.415 144.233 -43.966 92.365 40.395 129.340 -76.132 92.855 42.579 131.595 -94.317 92.507 37.445 129.425 -76.207 93.279 36.803 138.060 -80.770 93.871 37.717 136.989 -92.356 92.789 44.383 145.833 -39.726 92.012 42.187 142.679-136.018 92.420 62.967 143.003-124.176 93.021 0.000 129.407 -76.264 # 57 total E -2.27109E+02 rmsd from N 0.000 %NC 0.00 1 93.621 72.287 138.020-101.889 93.612 50.553 139.727-103.419 92.968 37.107 143.695-134.165 92.559 40.804 129.460 -76.192 93.056 39.610 139.844-141.112 95.214 33.387 139.013-150.639 94.444 35.242 131.212 -85.648 92.423 40.362 141.968 -86.547 91.364 45.588 145.096 -42.340 92.049 49.778 139.270-141.281 92.864 37.775 148.958-115.482 93.266 39.139 101.588-113.358 92.026 41.405 142.615-132.377 91.179 42.721 145.853-114.544 89.426 61.138 140.527-130.420 92.711 56.661 134.480 -91.395 92.674 51.240 131.490 -90.298 93.385 29.478 136.022 -98.399 111.422-132.597 131.706 -45.813 93.797 44.826 144.067-134.547 117.605 -65.123 0.000 0.000 117.249-156.190 154.570 -1.365 91.061 55.204 138.797 -91.428 92.600 49.594 138.056-110.013 90.046 93.811 115.628 -75.756 93.855 -53.551 145.973 -39.620 94.342 92.906 138.948-103.395 93.690-134.635 143.487-125.566 120.666-171.376 152.386 -18.821 120.963 145.676 120.946-127.736 92.839 38.999 116.274 -76.317 93.668 40.615 137.987-101.124 92.927 38.299 116.625 -75.668 92.624 39.396 129.446 -76.289 89.660 40.438 142.084-131.312 89.663 49.431 148.336-120.648 90.820 38.645 143.212 -43.550 92.302 34.882 129.358 -76.142 92.382 44.911 130.001 -85.476 92.340 41.512 129.091 -76.204 92.421 36.944 138.296 -78.662 92.633 40.384 137.224 -90.985 91.638 47.412 144.175 -42.507 91.245 41.913 142.051-130.962 92.474 64.121 143.022-124.237 93.024 0.000 129.415 -76.270 # 58 total E -2.41215E+02 rmsd from N 0.000 %NC 0.00 1 93.630 74.714 138.168-102.082 93.596 49.509 139.496-102.596 92.925 37.592 143.778-134.115 92.501 40.842 129.498 -76.248 92.280 41.169 140.027-146.911 92.415 35.232 138.937-149.617 93.541 36.791 130.116 -86.692 91.612 39.377 139.282 -85.824 91.209 43.420 144.134 -42.716 91.633 53.229 138.128-143.461 93.036 40.977 145.727 -39.653 92.481 36.463 100.930-113.154 91.632 51.368 110.125 -83.222 91.516 42.587 143.732-108.800 92.158 40.625 143.423-133.590 93.331 37.625 132.539 -93.255 93.239 40.435 131.345 -86.447 93.040 55.724 139.281-101.982 91.777 53.335 140.707-127.669 91.503 24.007 143.283-132.857 109.144 -66.095 0.000 0.000 125.820-152.635 158.130 175.653 92.276 48.951 143.598 -90.876 92.952 35.275 136.749-104.597 91.509 45.239 115.644 -76.150 90.762 49.597 147.641-117.336 92.849 46.287 140.792 -98.546 90.927 48.463 142.333-123.602 93.614 44.461 143.334-123.755 120.566 179.536 121.886-129.601 93.089 52.938 116.352 -76.357 93.410 41.266 137.319-102.755 90.350 44.996 116.080 -75.755 92.076 45.339 129.311 -76.162 89.581 38.335 142.113-131.744 91.820 43.590 146.194 -37.504 91.344 38.952 144.804 -42.042 92.115 37.594 129.309 -76.131 91.926 44.292 129.621 -88.569 92.042 42.666 129.330 -76.284 92.174 38.005 138.883 -78.389 92.394 40.463 137.263 -90.714 91.617 46.958 144.203 -42.272 91.244 42.065 142.576-130.156 92.491 63.668 142.997-124.508 93.022 0.000 129.414 -76.269 # 59 total E -2.42533E+02 rmsd from N 0.000 %NC 0.00 1 93.856 113.410 140.055-108.420 93.276 52.944 139.252-100.770 91.164 42.351 143.141-132.853 92.253 40.580 129.507 -76.241 92.065 44.333 141.685-140.197 93.545 31.931 138.326-148.966 93.742 41.831 128.960 -81.547 94.297 31.517 137.561 -85.306 92.661 47.434 149.575-132.558 91.898 50.728 140.375-142.623 92.154 52.803 146.442 -39.463 120.487 -90.212 119.968-126.395 96.765-125.154 144.661-137.263 109.657 137.116 152.516 -26.882 130.443 -77.299 113.478 -84.811 93.874 58.180 133.974 -90.504 93.538 43.617 133.751 -87.277 93.075 43.315 134.865 -94.483 93.530 37.503 138.962 -96.208 94.833 41.489 144.382-136.105 96.459 30.176 0.000 0.000 95.098 41.643 139.267-126.688 95.650 30.802 137.801 -91.743 94.142 38.748 136.953-106.369 93.299 38.603 115.429 -76.273 93.299 46.176 146.786 -38.799 93.177 52.452 139.703 -95.536 91.935 25.532 142.760-124.194 118.071-160.732 152.260 -18.954 93.115 67.010 99.854-114.184 90.914 76.031 115.990 -76.156 92.935 78.820 135.512 -98.092 91.420 43.237 115.856 -75.819 92.444 38.538 129.378 -76.159 91.299 40.038 142.927-132.919 91.111 42.003 147.406-114.678 91.711 37.823 145.560 -41.131 92.179 38.846 129.337 -76.139 92.864 42.052 130.476 -86.757 92.679 35.792 129.460 -76.241 93.417 38.767 138.948 -77.601 93.346 38.103 137.216 -90.979 92.171 46.014 144.902 -41.190 91.868 41.579 141.603-135.372 92.482 63.289 143.041-124.339 93.021 0.000 129.412 -76.267 # 60 total E -2.41522E+02 rmsd from N 0.000 %NC 0.00 1 93.882 151.624 134.927 -86.876 93.902 43.063 141.843-117.554 92.044 36.582 143.596-134.709 91.965 44.716 129.805 -76.635 90.730 43.642 133.065 -29.846 92.882 33.584 139.255-141.779 93.539 41.404 130.131 -88.846 92.123 35.040 138.641 -86.017 92.408 48.037 145.472 -40.157 91.608 50.080 138.723-142.123 93.314 55.283 146.876 -39.405 121.541 -24.930 120.606-126.625 94.392-160.329 144.491-136.841 111.507 26.284 152.801 -27.187 95.129 43.908 144.387-136.599 93.938 41.198 133.713 -91.154 93.545 44.660 135.419 -92.161 92.874 43.712 138.869 -90.778 93.869 35.998 138.238 -85.983 96.097 37.744 144.784-137.272 95.351 34.900 0.000 0.000 93.613 48.805 140.236-130.966 91.340 36.725 138.774 -92.718 92.647 41.543 136.061-104.184 91.796 45.285 115.460 -75.981 91.655 43.489 147.528-116.269 93.793 35.319 140.105-109.674 93.379 50.611 143.560-125.744 94.325 153.788 143.372-124.429 93.195 47.850 99.876-114.267 92.374 41.698 116.232 -76.313 93.025 91.533 137.942-103.071 91.888 60.861 116.324 -76.214 92.620 36.874 129.379 -76.163 91.828 37.451 143.181-133.485 91.245 49.107 146.322 -40.485 90.903 43.894 143.797 -43.216 91.832 35.168 129.294 -76.106 92.192 46.157 132.878 -96.163 92.174 38.519 129.054 -76.074 92.588 40.063 137.866 -77.148 92.872 40.018 137.229 -90.526 91.898 46.682 145.075 -40.412 91.448 42.196 142.506-132.713 92.432 63.990 143.010-124.192 93.022 0.000 129.411 -76.268 # 61 total E -2.26167E+02 rmsd from N 0.000 %NC 0.00 1 93.695 79.558 139.394-106.796 93.427 50.740 139.096-104.715 91.674 40.210 143.296-133.277 92.255 44.204 129.482 -76.162 92.359 37.482 141.042-138.641 93.739 37.840 140.671-162.437 92.791 37.595 129.709 -86.279 90.265 42.072 141.320 -88.288 90.060 50.007 147.566-107.915 91.794 49.366 137.986-137.166 93.404 61.117 148.120-115.775 121.555 -23.885 121.422-127.933 96.061-175.196 111.374 -83.801 93.392 50.529 148.477-123.077 94.397 32.343 143.940-135.970 93.342 53.670 135.664 -94.342 93.021 70.085 128.636 -87.640 93.250 54.899 136.338-104.781 107.921 -11.310 142.365-118.408 113.034 59.457 152.332 -24.220 95.545 54.496 0.000 0.000 93.675 125.973 137.103-132.373 111.418-117.242 137.763 -85.839 92.692 55.235 136.965-104.107 91.908 156.879 115.614 -76.087 92.407 55.825 147.623-114.691 93.862 69.685 141.798-114.214 94.192 15.228 143.818-126.291 96.615 176.295 144.950-126.902 122.727 129.344 120.214-125.927 94.936 24.725 116.547 -76.527 93.780 54.466 137.594 -98.800 91.168 44.772 116.640 -76.183 92.163 36.964 129.361 -76.211 88.743 44.108 142.063-130.785 90.007 63.928 150.412-135.198 89.420 41.675 144.000 -42.490 91.404 36.854 129.311 -76.088 91.806 45.917 130.728 -79.430 92.031 40.967 129.289 -76.230 92.325 34.869 137.740 -79.728 92.308 46.510 137.149 -91.129 90.783 46.147 142.719 -45.549 91.319 43.404 142.510-131.372 92.373 64.068 142.996-124.080 93.024 0.000 129.430 -76.282 # 62 total E -2.37426E+02 rmsd from N 0.000 %NC 0.00 0 93.644 82.376 138.381-102.182 93.578 48.821 139.677-103.039 92.653 38.465 143.614-134.003 92.493 39.981 129.472 -76.232 92.727 43.195 142.414-149.613 93.623 32.563 139.497-151.838 93.675 36.529 130.183 -87.416 90.712 42.015 138.692 -86.627 90.610 45.849 142.703 -45.476 90.626 51.958 137.432-143.128 92.677 55.345 146.642 -39.626 119.355 -15.328 121.013-128.280 93.254-174.555 142.469-132.620 109.420 36.906 152.567 -27.469 93.166 37.206 143.683-135.281 93.343 54.769 133.915 -90.639 93.450 46.752 130.479 -91.553 93.211 87.490 139.725-108.738 113.346 -80.704 141.069-117.318 93.866 74.255 144.149-134.777 93.590 35.082 0.000 0.000 115.844 33.467 159.429 175.375 92.552 36.808 139.926 -89.545 93.630 34.115 136.624-105.973 93.397 44.391 115.596 -76.063 92.832 41.313 146.350 -39.748 93.623 39.167 139.000 -96.396 93.817 54.400 143.748-125.965 121.647-164.948 152.578 -18.958 92.881 71.928 99.900-114.567 91.815 42.046 116.146 -76.225 92.588 49.274 137.252 -95.309 90.923 39.376 115.528 -75.954 92.793 37.547 129.372 -76.182 93.593 33.441 143.525-134.473 92.316 44.366 147.224 -38.424 90.982 39.678 144.247 -42.997 91.932 37.258 129.286 -76.118 91.735 44.047 129.412 -87.448 91.989 43.776 129.257 -76.227 92.367 37.326 137.624 -77.576 92.727 39.612 137.284 -90.713 91.948 47.131 144.583 -41.528 91.339 41.859 142.076-131.642 92.487 63.765 143.018-124.313 93.024 0.000 129.414 -76.271 # 63 total E -2.42981E+02 rmsd from N 0.000 %NC 0.00 1 93.808 107.522 139.723-107.542 93.328 57.165 141.127-104.143 91.305 38.528 143.188-133.055 92.065 43.914 129.538 -76.264 90.531 43.258 139.357-153.944 89.560 40.679 138.299-149.821 91.196 46.838 128.905 -87.733 86.664 58.364 138.340 -82.435 88.494 47.816 145.142-117.264 88.763 54.678 138.524-138.290 91.839 160.543 144.599 -41.413 93.468 75.249 100.676-114.608 95.462 31.023 143.869-135.635 94.339 41.415 145.599 -39.452 94.663 44.531 110.789 -83.959 93.431 43.787 134.024 -89.717 94.420 36.412 131.445 -88.666 95.016 16.974 140.129-104.896 125.318-159.507 143.987-162.944 94.763 57.100 144.335-135.278 116.756-143.386 0.000 0.000 129.827 -4.632 159.019 170.233 92.524 53.101 141.492 -90.821 93.158 33.503 136.459-105.138 91.907 47.094 115.576 -75.599 91.232 41.516 147.556-123.163 93.247 42.822 139.461 -98.750 91.242 61.980 142.503-123.792 92.714 165.281 142.406-122.365 92.925 47.025 99.959-115.068 91.438 41.142 116.067 -76.202 92.827 47.753 139.030-108.222 88.870 47.455 116.182 -75.807 91.993 37.013 129.332 -76.147 88.643 43.180 142.027-131.047 90.088 52.914 145.269 -42.613 88.883 42.609 146.040-109.282 91.768 37.569 129.321 -76.097 92.297 39.768 129.800 -88.937 91.938 45.057 129.388 -76.238 91.725 37.289 137.927 -84.913 91.594 45.578 136.998 -91.960 90.209 52.248 142.775 -44.466 90.390 41.858 141.189-125.212 92.508 66.688 143.066-124.196 93.025 0.000 129.419 -76.274 # 64 total E -2.36413E+02 rmsd from N 0.000 %NC 0.00 1 93.922 124.106 140.116-106.907 93.203 59.608 141.585-109.384 90.503 40.593 142.906-132.489 92.087 42.129 129.385 -76.098 91.776 41.667 137.985-140.608 91.735 36.326 139.585-155.038 91.812 46.071 129.081 -86.844 88.059 66.924 141.422 -86.896 89.060 39.395 145.673-109.676 92.375 47.559 139.668-143.565 93.515 142.938 146.268-104.380 120.722 98.651 120.930-127.539 104.844-107.703 147.328-143.263 93.531 60.890 146.558 -38.004 92.111 39.242 143.320-134.678 92.480 49.744 131.755 -92.370 92.956 69.287 131.886 -88.963 92.695 55.031 137.123 -98.184 91.560 29.375 139.469-109.075 107.635 -70.246 112.234 -84.132 126.246 -87.844 0.000 0.000 127.619-144.953 158.686 167.890 93.321 43.831 138.742 -89.749 93.352 40.011 136.664-105.457 92.135 41.760 115.800 -76.112 91.955 41.025 148.676-115.726 93.634 43.594 141.436-107.821 92.261 49.866 143.000-124.732 93.755 47.311 143.343-123.838 122.504 174.806 121.346-127.683 91.388 56.136 116.064 -76.198 93.148 47.589 137.251-102.427 89.757 45.879 116.268 -75.436 91.963 41.262 129.346 -76.186 88.803 41.629 142.020-131.258 90.686 46.132 144.934 -40.655 90.406 41.787 144.064 -41.943 91.818 37.483 129.288 -76.100 92.123 41.499 129.599 -88.256 92.181 41.848 129.215 -76.153 92.544 37.733 135.613 -67.778 92.927 40.851 137.453 -89.749 91.889 45.781 144.848 -41.352 91.565 42.522 142.469-133.128 92.428 63.306 142.994-124.157 93.024 0.000 129.414 -76.268 # 65 total E -2.38314E+02 rmsd from N 0.000 %NC 0.00 1 93.629 74.307 138.153-102.106 93.593 49.650 139.389-102.489 92.912 37.501 143.711-134.183 92.468 41.448 129.487 -76.226 92.245 41.291 140.220-147.105 91.688 36.890 138.355-148.343 92.571 40.458 129.364 -87.360 90.584 40.061 138.565 -85.704 90.144 46.524 147.407-113.075 91.420 49.691 137.068-140.134 93.791 40.570 147.316 -38.023 92.743 38.744 101.180-112.500 89.754 51.651 141.132-130.072 90.764 50.996 144.675-115.539 90.380 42.931 142.752-132.212 92.476 37.437 132.630 -92.332 92.372 46.985 130.761 -85.371 92.584 58.701 132.290 -87.467 92.247 53.224 138.126-109.987 92.058 14.937 143.463-133.186 111.626-121.047 0.000 0.000 124.703-112.206 158.272 176.417 92.053 39.574 143.416 -91.996 93.052 49.331 137.057-105.741 92.010 67.444 115.751 -76.034 91.630 103.433 149.381-119.500 93.695 53.416 139.579-110.158 92.518 82.306 143.153-124.918 94.558-155.004 144.569-127.051 121.520 6.316 121.083-127.959 93.586 49.197 116.440 -76.389 92.944 37.885 137.222-102.292 90.329 49.424 115.282 -75.801 91.996 41.590 129.285 -76.134 89.278 39.479 142.104-131.532 91.279 45.289 145.102 -39.763 90.919 40.197 146.394-113.114 92.219 35.464 129.360 -76.136 92.775 41.430 130.164 -88.113 92.831 38.310 129.010 -76.057 93.357 35.465 137.874 -88.251 93.470 39.354 136.707 -94.500 92.431 43.669 144.522 -41.833 92.091 42.835 142.628-136.880 92.325 63.437 142.919-124.304 93.020 0.000 129.403 -76.262 # 66 total E -2.30989E+02 rmsd from N 0.000 %NC 0.00 1 93.690 86.665 138.955-104.498 93.448 50.569 139.503-101.727 92.234 39.163 143.471-133.623 92.428 40.946 129.390 -76.133 92.327 42.490 139.701-152.333 91.150 36.173 138.865-153.751 91.517 48.653 128.757 -86.021 87.231 63.805 140.857 -87.417 88.301 42.419 144.115-107.663 92.088 54.700 139.605-141.071 92.684 43.849 148.338-109.088 93.146 40.478 101.160-113.927 93.901 77.207 110.200 -83.453 92.964 -81.796 148.477-124.529 112.124 66.545 149.925-148.889 123.906-161.082 155.314-110.415 94.601 64.951 134.949 -89.765 93.856 130.038 137.790-103.395 118.408 6.459 138.969-129.959 132.634 -99.027 113.667 -84.125 93.318 61.450 0.000 0.000 90.765 52.506 134.619-121.356 92.042 36.818 138.176 -91.599 93.232 41.504 136.227-104.237 92.845 37.319 115.509 -76.336 91.900 56.612 151.037-124.828 93.154 59.480 137.947 -90.785 91.841 20.177 142.700-124.228 116.329-105.077 152.106 -20.067 119.262 108.443 121.749-130.115 91.806 51.259 116.102 -76.132 92.589 57.125 131.814 -65.472 93.275 32.444 115.977 -76.446 93.591 35.292 129.444 -76.224 94.254 37.072 143.746-134.685 91.834 43.086 146.000 -41.524 91.019 38.979 144.376 -42.184 92.022 37.464 129.302 -76.124 92.273 44.893 132.898 -83.513 92.311 38.390 129.251 -76.156 92.993 35.499 137.866 -79.239 93.223 41.217 137.063 -91.629 91.891 44.646 144.089 -42.775 91.811 42.681 142.438-134.903 92.402 62.853 143.007-124.125 93.021 0.000 129.413 -76.269 # 67 total E -2.34058E+02 rmsd from N 0.000 %NC 0.00 1 94.374 169.578 137.792 -98.879 93.344 52.935 139.363 -99.726 94.882 38.021 150.226 -33.075 93.069 36.465 129.489 -76.230 93.966 40.556 143.948-152.840 92.423 36.050 141.501-153.991 93.233 38.792 131.382 -79.951 93.621 32.438 139.724 -84.758 93.683 40.768 148.333-118.548 95.836 52.029 140.472-146.945 91.737 43.159 149.345-117.589 117.865 -95.031 121.725-130.717 103.114-109.402 146.761-142.074 91.771 73.450 151.299-134.246 89.786 64.865 142.474-132.428 93.115 114.636 132.466 -88.375 93.760 76.239 133.664 -95.984 92.988 114.513 137.883-101.212 119.569 -94.739 139.628 -98.529 94.606 46.695 111.346 -82.961 93.199 38.470 0.000 0.000 92.268 49.916 135.343-116.850 93.532 34.042 139.061 -91.779 93.714 33.358 136.509-105.349 93.752 43.720 115.548 -76.242 93.549 34.808 146.164 -41.883 94.200 51.497 140.094-105.347 94.918 41.476 109.802 -83.863 95.204 157.056 145.345-128.396 93.334 46.798 100.003-115.478 93.624 34.842 116.420 -76.431 92.873 57.857 137.744 -98.376 90.276 48.755 114.531 -76.206 91.883 36.988 129.336 -76.160 89.581 42.446 142.376-131.754 90.852 42.377 146.310-114.108 90.539 40.187 145.091 -41.772 91.342 40.066 129.266 -76.080 91.473 44.633 130.258 -95.836 91.769 39.291 129.289 -76.099 92.042 38.802 138.509 -82.956 91.957 52.600 137.092 -92.123 89.771 49.076 143.326-106.896 90.926 43.675 142.502-127.603 92.415 67.334 143.001-124.199 93.024 0.000 129.415 -76.267 # 68 total E -2.33027E+02 rmsd from N 0.000 %NC 0.00 1 93.742 94.151 139.527-106.957 93.263 52.881 139.366-100.510 91.731 39.374 143.308-133.321 92.285 42.534 129.581 -76.246 91.802 40.046 140.453-150.902 90.835 37.069 137.974-146.993 92.150 45.194 128.580 -97.564 89.020 39.458 136.891 -83.873 90.232 49.363 145.627-115.639 91.720 72.467 135.946-139.685 94.773-158.146 145.870 -37.653 92.061 75.418 100.662-113.595 90.888 44.991 141.897-130.476 90.905 67.322 149.335-122.088 92.276 119.803 141.240-127.134 122.292-137.972 152.919-112.883 94.178 60.909 133.934 -89.475 93.566 48.551 137.630-102.674 93.429 137.720 135.364 -37.553 96.493 61.261 111.458 -83.026 94.441 35.272 0.000 0.000 92.493 54.830 139.631-126.199 90.860 39.070 138.860 -91.531 92.502 40.324 136.071-104.535 91.412 43.568 115.298 -76.128 92.105 40.941 148.743-114.668 94.034 52.265 141.816-118.353 93.057 -9.089 143.328-125.483 118.121-146.781 152.036 -19.435 118.964 120.946 122.660-131.763 92.114 45.447 116.116 -76.268 92.713 77.066 136.145 -97.143 91.135 51.125 115.265 -75.673 92.731 37.713 129.395 -76.171 94.443 31.201 143.961-135.345 92.889 45.365 146.870 -37.725 91.089 38.896 143.828 -44.490 91.966 38.327 129.310 -76.132 92.408 42.317 129.780 -87.759 92.511 38.121 129.243 -76.140 92.894 38.755 138.133 -74.815 93.019 39.353 137.297 -90.877 91.936 46.476 144.867 -41.313 91.505 42.073 142.234-132.746 92.462 63.461 143.014-124.289 93.021 0.000 129.414 -76.268 # 69 total E -2.33018E+02 rmsd from N 0.000 %NC 0.00 1 93.679 83.001 138.917-104.442 93.476 47.382 138.784-103.763 91.047 43.838 143.100-132.996 92.209 42.339 129.437 -76.243 91.836 43.691 141.329-146.893 92.294 33.057 140.959-144.953 93.749 45.722 131.295 -84.958 94.127 28.693 140.218 -85.474 93.643 47.874 147.397 -37.802 93.133 49.168 139.876-140.936 92.347 52.187 148.510-116.802 119.778 -16.950 120.968-128.288 94.554 62.150 144.343-135.591 92.628 34.291 150.464-125.260 95.395 44.869 143.786-137.520 95.060 1.459 132.481 -94.623 116.336 174.441 154.481 -98.619 94.867 49.380 140.588-112.730 97.169 25.182 141.528-119.309 99.273 49.794 145.863-138.688 98.436 137.121 0.000 0.000 127.931 -85.015 161.155 167.907 91.908 50.939 140.370 -90.644 93.028 36.752 136.470-103.783 91.889 43.124 115.159 -76.164 92.038 86.921 148.880-119.473 93.743 52.896 140.441-108.940 92.487 44.556 143.098-125.001 94.328 38.342 143.829-124.457 121.820 162.116 121.365-128.020 94.272 38.406 116.521 -76.475 94.038 41.052 136.344 -93.006 93.288 38.445 116.727 -76.196 92.492 42.691 129.421 -76.294 90.114 37.435 142.218-131.952 91.551 43.778 145.272 -39.136 91.561 38.922 144.130 -42.538 92.466 36.170 129.306 -76.141 93.252 41.765 130.059 -87.924 93.070 35.954 129.309 -76.246 92.989 39.615 139.285 -72.682 92.882 38.398 137.418 -90.527 91.745 47.778 144.799 -41.426 91.246 41.704 141.895-131.345 92.478 63.881 143.005-124.216 93.022 0.000 129.413 -76.268 # 70 total E -2.37756E+02 rmsd from N 0.000 %NC 0.00 1 93.627 72.458 138.138-102.329 93.578 50.786 139.476-102.493 92.934 37.159 143.694-134.171 92.484 41.736 129.511 -76.232 92.197 40.720 139.320-144.062 92.539 36.517 138.833-148.808 93.105 40.604 129.537 -85.087 92.179 35.356 137.424 -85.368 91.916 43.609 148.401-126.226 92.904 45.756 138.239-141.743 93.098 121.479 145.989 -38.948 92.913 64.278 100.290-112.444 94.578 35.354 143.740-135.359 93.858 41.292 145.966 -37.986 91.991 46.233 111.777 -83.728 92.737 42.877 131.418 -96.027 93.289 51.747 130.954 -88.713 93.713 6.698 134.563 -90.387 122.610-146.900 146.803-146.780 92.591 74.642 143.835-133.994 92.452 73.279 0.000 0.000 91.874 61.570 137.802-127.140 90.319 37.304 138.905 -90.903 92.376 45.320 136.207-104.091 91.236 49.643 115.990 -75.792 90.947 43.828 149.723-112.697 94.253 46.822 139.425-109.119 95.612 -72.810 144.553-127.426 117.813-114.995 152.189 -19.163 120.618 118.593 123.061-131.406 91.700 45.537 116.089 -76.229 92.640 58.543 136.472 -98.494 89.009 58.114 116.135 -76.121 91.874 40.037 129.217 -75.990 88.280 42.894 141.973-130.921 89.882 44.465 145.322-111.153 90.646 44.007 143.902 -42.321 91.573 39.436 129.288 -76.095 92.026 42.815 129.889 -87.400 92.586 38.009 129.202 -76.080 92.940 38.763 138.053 -75.104 93.064 39.477 137.299 -90.999 92.062 45.346 144.863 -41.330 91.800 42.097 142.550-133.807 92.488 63.045 143.026-124.545 93.021 0.000 129.413 -76.268 # 71 total E -2.38722E+02 rmsd from N 0.000 %NC 0.00 1 93.642 80.871 138.262-101.860 93.595 48.513 139.333-102.394 92.875 37.959 143.740-134.187 92.475 40.800 129.496 -76.227 92.391 42.361 141.988-152.963 91.147 35.070 138.765-148.256 92.443 42.927 131.735 -87.601 90.137 39.018 139.219 -85.814 89.724 44.597 147.573-117.330 91.673 54.454 136.491-138.765 93.608 45.247 145.386 -39.424 93.428 33.966 100.949-114.146 91.272 55.181 142.233-131.743 91.869 89.079 146.331-121.190 90.796 56.482 142.958-136.214 93.127 50.247 132.480 -91.248 95.572-177.073 132.059 -91.076 94.323 61.346 137.866-106.559 95.734 119.375 140.629-102.657 122.293 -99.228 154.246 -13.040 96.631 38.445 0.000 0.000 92.224 48.147 138.759-121.348 92.301 37.341 139.063 -93.105 92.963 40.075 136.291-105.871 91.348 41.143 115.200 -76.217 91.191 56.294 149.192-123.225 92.760 45.129 137.555 -88.736 91.169 49.605 142.451-123.845 93.334-178.160 143.283-124.348 92.981 68.637 99.891-114.787 91.818 42.817 116.139 -76.231 92.894 47.445 136.166 -91.940 91.357 40.296 115.859 -76.314 92.418 37.660 129.351 -76.173 90.588 41.167 142.549-132.187 90.831 43.199 148.413-121.788 90.736 40.972 145.379 -40.783 91.598 37.469 129.291 -76.104 91.265 48.443 129.932 -80.351 92.091 40.247 128.823 -75.958 92.797 36.182 137.855 -83.997 93.436 40.384 136.983 -92.849 92.628 41.762 144.469 -41.053 92.616 43.297 143.119-139.910 92.375 61.445 142.980-124.139 93.020 0.000 129.414 -76.266 # 72 total E -2.25671E+02 rmsd from N 0.000 %NC 0.00 1 93.646 80.831 138.346-102.203 93.583 48.492 139.283-102.354 92.747 38.333 143.651-134.068 92.458 40.857 129.476 -76.221 92.328 42.972 141.669-152.497 91.477 34.807 138.714-148.303 92.242 43.765 129.750 -84.038 89.606 39.750 139.053 -86.718 89.891 50.776 147.539-117.814 92.413 48.412 136.647-140.485 92.914 41.792 149.409-114.213 92.971 41.134 100.971-114.943 93.421 45.130 110.350 -83.609 93.602 175.195 146.364 -38.317 111.307 -91.250 150.061-149.196 94.535 40.996 131.338-101.471 94.434 67.788 134.002 -88.153 93.896 -11.857 136.000 -96.131 119.898-131.833 144.566-129.721 95.015 94.163 150.544 -29.527 92.162 55.181 0.000 0.000 90.482 43.228 130.605 -39.591 92.257 41.977 139.106 -86.859 93.081 39.668 135.498-102.169 93.647 35.390 115.557 -76.545 94.186 93.725 152.650-134.134 93.561 64.321 139.974-100.657 92.137 -25.862 142.886-124.494 118.968-158.085 152.155 -19.251 119.286 124.315 121.762-130.203 92.122 71.357 116.184 -76.208 93.320 46.039 135.180 -92.284 93.244 37.527 116.251 -76.121 93.133 37.230 129.427 -76.196 92.152 39.651 142.902-132.788 91.098 43.597 147.674-123.799 89.608 46.133 150.516-133.184 91.109 39.295 129.288 -76.090 90.826 50.056 129.070 -78.360 91.935 44.521 128.780 -75.844 92.491 35.803 137.725 -84.670 93.116 40.398 136.989 -92.540 92.317 44.486 144.407 -41.230 91.931 42.491 142.706-135.735 92.414 62.752 143.003-124.173 93.019 0.000 129.413 -76.266 # 73 total E -2.42137E+02 rmsd from N 0.000 %NC 0.00 0 93.637 84.427 138.128-100.996 93.617 46.650 139.079-102.678 92.739 39.835 143.629-134.090 92.496 39.209 129.456 -76.242 92.434 45.829 142.935-154.327 92.483 31.752 139.498-149.764 92.965 40.565 129.869 -87.661 90.076 39.863 136.952 -86.024 90.959 52.447 143.957 -41.934 90.084 40.237 137.147-139.685 93.212 32.850 147.003 -40.212 122.846 3.738 120.020-124.580 96.890 47.356 143.344-134.857 93.434 35.696 146.121 -39.092 91.203 47.730 142.349-136.064 92.698 42.566 134.095 -87.769 93.101 39.132 130.922 -89.148 93.347 43.549 137.143-101.667 106.686 169.126 135.066-106.489 93.753 55.790 144.513-135.398 93.703 46.531 0.000 0.000 93.243 106.588 138.415-127.710 91.002 44.183 139.695 -89.791 92.387 40.067 136.492-104.956 90.318 45.090 115.183 -75.945 91.686 43.676 144.399 -40.859 92.938 40.080 140.649-111.265 90.460 62.596 142.136-122.955 92.370 48.577 142.485-122.271 120.059 144.254 121.623-129.219 92.382 39.772 116.193 -76.264 93.548 43.063 137.813-100.784 92.174 38.430 116.562 -75.899 92.480 39.744 129.395 -76.237 88.646 44.001 141.801-130.702 89.461 49.889 147.445-120.483 90.707 37.713 142.985 -43.248 92.327 35.746 129.360 -76.128 92.899 43.782 130.493 -86.636 92.691 36.144 129.239 -76.278 93.177 38.909 138.797 -78.519 93.212 38.730 137.231 -91.646 92.215 45.159 144.919 -41.208 91.812 42.286 142.548-134.599 92.429 62.629 142.973-124.331 93.020 0.000 129.401 -76.259 # 74 total E -2.32037E+02 rmsd from N 0.000 %NC 0.00 1 93.791 101.388 139.894-108.682 93.307 52.777 139.378-100.128 91.033 41.532 143.098-132.884 92.167 42.493 129.463 -76.235 91.438 42.209 140.930-139.822 92.785 34.378 137.879-148.140 93.565 41.010 130.951 -84.531 92.348 35.201 140.758 -86.014 91.776 45.801 149.420-121.924 92.560 49.223 138.531-140.955 92.983 36.810 149.345-119.866 94.068 49.834 101.059-110.390 93.379 87.435 141.719-132.936 107.452-154.922 152.456-135.125 95.455 51.210 144.253-136.694 94.089 33.655 133.590 -90.827 93.614 75.897 137.316 -93.612 93.494 84.821 137.140-105.822 93.003 66.737 139.804-111.759 124.785 -42.538 113.590 -84.176 96.668 150.607 0.000 0.000 132.154 -87.989 161.367 163.677 93.857 36.842 138.879 -90.803 93.353 48.509 136.761-106.128 91.939 52.993 115.182 -76.125 92.900 111.868 151.172-121.076 93.734 34.896 140.374-109.964 93.272 104.220 143.514-125.478 122.749-147.775 152.930 -18.383 121.506 9.178 121.052-127.892 93.789 46.710 116.467 -76.416 92.604 43.086 137.261 -97.127 90.575 45.266 115.107 -75.989 92.444 39.810 129.358 -76.168 94.177 31.960 143.656-134.902 93.948 38.747 145.948 -37.267 92.588 38.997 148.218-123.550 92.751 35.451 129.386 -76.195 93.250 38.361 130.244 -83.787 92.845 39.097 129.326 -76.296 93.272 37.235 137.877 -83.940 93.134 38.160 137.010 -92.562 91.828 50.207 145.685 -40.996 90.508 45.298 143.097-133.100 91.589 73.750 142.615-123.609 93.017 0.000 129.342 -76.228 # 75 total E -2.35431E+02 rmsd from N 0.000 %NC 0.00 1 93.626 71.802 138.157-102.510 93.558 51.848 139.183-101.514 92.986 36.660 143.728-134.215 92.363 43.890 129.609 -76.274 91.097 41.539 138.277-147.567 90.075 41.801 137.989-146.769 91.989 47.489 129.481 -89.797 89.476 36.957 139.218 -84.791 91.891 57.333 144.909 -40.079 93.153 89.600 137.259-142.310 107.398-156.216 151.441 -28.393 92.748 54.653 100.747-112.437 92.291 33.895 142.721-132.472 92.012 68.661 147.274 -38.794 89.529 47.614 139.837-127.606 91.871 41.643 132.190 -91.849 92.226 44.359 130.922 -85.261 92.591 45.704 133.567 -78.765 92.724 47.638 138.852-145.552 92.547 29.482 143.628-133.596 109.399 -65.749 0.000 0.000 126.257-147.510 158.187 173.912 92.998 45.693 141.468 -89.900 93.001 38.956 136.922-105.103 91.640 44.582 115.835 -76.056 91.355 47.164 148.587-118.734 93.464 32.786 140.966-113.136 92.223 60.622 143.139-126.922 93.967 65.170 143.323-123.806 119.746 146.385 122.115-130.185 91.880 44.416 116.120 -76.227 93.145 44.513 137.335-102.258 90.557 41.273 115.990 -75.536 92.585 38.943 129.281 -76.099 91.911 36.079 142.899-133.628 92.332 42.126 145.807 -39.548 91.641 38.166 144.307 -42.562 92.266 38.095 129.421 -76.239 92.726 42.158 130.038 -87.710 92.697 37.080 129.298 -76.206 92.999 38.772 138.028 -71.208 93.112 39.507 137.494 -91.939 92.003 45.946 144.912 -41.247 91.592 42.281 142.481-133.505 92.440 63.217 143.002-124.159 93.020 0.000 129.413 -76.268 # 76 total E -2.37783E+02 rmsd from N 0.000 %NC 0.00 1 93.705 98.135 138.612-103.010 93.507 47.793 139.144-102.146 92.315 40.938 143.496-133.790 92.465 38.484 129.458 -76.243 92.819 45.526 145.292-157.155 92.511 31.671 139.609-149.489 93.332 39.121 130.039 -87.487 90.304 41.118 137.860 -86.910 90.229 47.544 143.539 -45.791 90.631 54.240 137.007-140.063 92.757 61.013 146.368 -37.879 116.790 146.285 122.098-131.676 96.139 42.978 144.326-137.785 93.265 41.918 145.909 -38.927 90.671 44.840 142.577-135.095 92.599 46.527 127.555 -92.083 92.950 55.834 131.239 -89.102 93.294 66.860 137.103-101.255 112.715-124.043 142.520 -97.578 94.033 26.723 144.091-134.676 128.151-101.836 0.000 0.000 129.147 -93.817 160.431 169.875 92.117 41.467 139.896 -92.328 92.961 39.010 135.215-107.141 91.426 51.762 114.942 -76.029 92.676 101.291 145.975 -40.930 93.621 73.432 138.132 -95.630 93.344 4.314 143.454-125.863 106.309-174.226 150.149-137.066 120.792 133.695 121.220-128.560 92.665 38.615 116.124 -76.303 93.026 48.712 138.297-108.688 89.487 47.666 116.311 -75.701 92.093 38.049 129.343 -76.162 88.984 41.959 142.142-131.306 90.257 51.631 145.153 -42.916 88.533 45.418 145.917-110.014 91.539 38.259 129.296 -76.082 91.982 39.396 129.464 -89.120 91.836 43.450 129.432 -76.345 92.044 41.806 137.209 -82.577 91.844 45.508 137.242 -91.137 90.514 50.008 143.690 -42.747 90.800 42.373 141.989-128.078 92.443 65.968 143.013-124.209 93.022 0.000 129.415 -76.272 # 77 total E -2.28247E+02 rmsd from N 0.000 %NC 0.00 1 93.632 77.546 138.154-101.731 93.616 48.931 139.641-103.460 92.692 38.630 143.622-134.013 92.479 40.668 129.480 -76.238 92.140 44.699 140.965-147.706 92.240 34.091 138.025-153.724 92.210 46.771 129.979 -85.131 89.322 66.375 139.238 -88.033 90.682 45.640 144.913-108.119 100.055 -99.542 143.256-149.944 107.670 155.985 152.140 -28.834 119.135 -15.466 121.147-129.055 92.031 111.244 143.156-133.564 92.385 96.328 147.693-115.971 92.864 54.205 111.304 -83.396 93.176 56.326 132.792 -90.529 95.632 171.139 132.443 -88.505 93.697 66.001 138.075-104.165 93.400 116.282 140.429-109.316 117.695-129.102 151.562 -22.318 91.979 55.163 0.000 0.000 91.403 50.432 136.282-122.385 91.806 38.649 138.454 -88.855 93.020 38.462 136.181-104.835 92.890 40.555 115.392 -76.145 92.834 39.416 149.420-129.304 93.667 52.618 140.765-105.684 92.302 14.737 142.965-124.445 115.889-164.095 152.314 -19.209 121.479 2.545 121.109-128.011 93.094 53.433 116.376 -76.330 93.215 37.274 138.262-105.589 91.368 43.834 115.653 -75.384 92.591 39.154 129.409 -76.207 92.637 33.963 143.042-134.017 92.612 41.512 145.890 -39.473 91.608 38.080 142.761 -45.027 92.747 37.414 129.318 -76.257 93.984 42.511 130.608 -87.950 93.803 30.391 129.400 -76.268 94.133 41.663 142.451 -90.539 93.200 37.914 137.096 -88.023 91.945 44.620 144.935 -41.258 91.954 40.771 142.332-133.370 92.874 58.812 143.107-123.714 93.026 0.000 129.439 -76.289 # 78 total E -2.36732E+02 rmsd from N 0.000 %NC 0.00 1 93.607 70.791 137.739-100.935 93.721 54.111 142.243-111.902 92.316 34.351 143.501-133.828 92.207 44.278 129.477 -76.213 91.348 43.025 139.189-147.016 92.203 35.577 143.543-150.766 93.093 36.085 129.741 -87.440 92.739 36.522 138.507 -85.835 92.641 43.238 143.940 -41.356 93.062 53.775 140.342-149.585 93.179 60.505 146.794 -39.316 121.909 -42.958 120.363-126.031 94.366 74.759 143.874-135.084 92.605 54.142 146.591 -39.733 90.915 49.589 143.488-132.736 92.777 37.549 132.716 -91.375 95.536-179.349 131.855 -83.637 94.912-174.583 140.674-108.907 121.116-115.583 139.164-114.298 92.449 45.761 143.649-133.717 93.444 51.854 0.000 0.000 119.281 14.063 158.092-179.810 92.646 46.218 139.563 -90.699 93.156 38.491 136.202-104.872 92.934 48.010 115.446 -75.653 92.338 35.872 145.936-107.838 94.597 41.248 140.417-117.060 94.013 43.741 143.856-126.343 94.400 149.383 143.582-124.412 93.803 39.368 99.665-113.515 94.265 39.110 116.530 -76.504 93.516 87.148 137.810-104.539 93.228 92.669 116.549 -75.930 92.511 38.258 129.372 -76.156 91.640 37.628 143.129-133.478 91.697 48.257 145.575 -39.717 90.600 38.467 144.372 -46.296 91.823 39.029 129.312 -76.120 91.554 54.797 129.559 -87.105 91.813 48.596 129.277 -76.244 91.676 37.227 137.483 -67.765 92.093 43.288 137.523 -87.736 91.198 47.812 143.649 -42.726 91.138 42.223 141.991-129.865 92.475 64.534 143.023-124.494 93.023 0.000 129.415 -76.271 # 79 total E -2.44165E+02 rmsd from N 0.000 %NC 0.00 1 93.704 89.296 139.063-104.939 93.388 50.187 139.474-101.515 91.725 40.506 143.305-133.334 92.330 40.598 129.410 -76.183 92.692 42.450 142.268-146.284 93.262 34.254 138.625-148.465 93.308 41.331 129.953 -87.051 91.384 37.880 138.742 -86.212 91.244 47.761 148.511-114.925 92.328 51.350 137.781-140.300 93.649 60.683 147.095 -38.281 120.914 171.843 120.919-127.677 94.902 38.401 143.822-136.018 93.483 41.270 145.017 -39.512 92.405 57.485 142.586-141.203 92.990 38.207 130.669 -92.299 93.851 44.647 132.201 -88.477 94.396 14.368 138.607-105.939 118.792-173.507 145.731 -94.930 94.581 63.596 144.543-135.624 116.722 177.877 0.000 0.000 124.105 51.717 158.589 170.257 92.544 34.931 140.370 -89.276 93.496 37.145 135.330-106.864 92.388 49.659 115.592 -76.581 92.204 38.763 144.475 -41.340 94.162 55.340 139.593-111.654 95.432 -21.321 144.436-127.220 125.931 173.593 152.993 -17.783 121.892 134.790 119.972-126.112 96.732 25.864 116.879 -76.715 94.020 48.183 139.105-102.760 91.733 37.999 116.188 -76.459 92.567 41.602 129.395 -76.212 92.250 34.595 143.047-133.539 92.194 41.950 145.623 -39.558 90.828 41.011 146.780-122.303 92.075 37.534 129.335 -76.142 92.283 38.557 129.629 -88.359 92.246 41.122 129.313 -76.260 92.825 38.403 137.673 -85.319 92.742 39.887 136.991 -92.851 91.626 48.232 144.761 -41.467 91.080 41.757 142.042-129.782 92.505 64.303 143.033-124.334 93.022 0.000 129.415 -76.268 # 80 total E -2.39777E+02 rmsd from N 0.000 %NC 0.00 1 93.629 74.547 138.161-102.108 93.593 49.372 139.406-102.584 92.871 37.837 143.694-134.158 92.488 40.920 129.491 -76.244 92.211 41.663 139.941-146.849 92.373 35.059 138.703-149.129 93.198 37.962 130.316 -86.824 91.064 39.927 138.903 -85.217 90.979 45.201 144.298 -42.426 91.199 50.956 137.610-141.046 93.522 39.425 146.827 -38.576 92.731 38.876 101.059-112.314 90.113 51.818 141.256-129.504 91.188 51.800 146.393-113.746 91.305 37.628 142.598-133.020 92.688 39.533 132.629 -91.416 92.835 71.692 130.602 -82.311 93.424 44.334 135.018-101.488 94.110 31.724 139.277-101.453 94.583 46.281 144.379-135.829 94.018 42.674 0.000 0.000 93.810 40.423 138.206-128.033 93.678 33.068 138.418 -91.488 93.229 43.765 136.396-104.959 92.281 44.029 115.628 -76.375 91.235 44.476 149.858-121.919 93.936 46.040 139.327-106.954 95.494 -78.950 144.504-127.347 120.161 -94.702 152.900 -19.374 120.394 111.037 122.084-129.961 92.702 39.554 116.236 -76.313 92.665 58.077 136.446 -99.324 89.963 51.008 115.354 -76.033 92.087 38.952 129.338 -76.133 90.069 39.703 142.566-132.188 91.099 47.895 146.163 -40.612 89.643 41.419 145.745-107.493 91.905 36.957 129.334 -76.115 92.639 40.405 129.977 -86.623 92.632 38.010 129.153 -76.072 93.407 37.250 137.583 -85.248 93.545 38.614 136.899 -93.046 92.521 44.487 145.143 -40.455 92.010 42.603 142.510-137.370 92.306 64.187 142.950-124.084 93.021 0.000 129.400 -76.260 # 81 total E -2.41048E+02 rmsd from N 0.000 %NC 0.00 1 93.936 125.133 140.233-107.480 93.239 52.101 139.193 -99.811 90.800 42.387 143.017-132.726 92.173 41.673 129.388 -76.139 91.500 44.183 144.407-149.199 91.979 33.747 137.784-147.544 92.646 43.468 129.078 -89.071 89.218 42.334 138.761 -88.523 90.065 58.589 147.280-112.861 89.786 101.694 135.891-141.184 102.322-134.237 149.669 -34.368 120.443 20.512 121.694-129.005 92.716 55.742 143.384-134.004 91.948 93.492 146.353 -40.296 92.924 56.954 143.633-136.565 92.289 34.674 132.758 -91.108 92.276 60.700 130.651 -85.071 93.264 44.721 129.912 -83.983 96.534 30.629 139.013-103.329 99.405 30.191 145.835-138.941 98.562 35.269 0.000 0.000 96.372 39.567 139.352-130.702 93.771 34.993 138.715 -91.960 93.198 40.008 136.408-105.097 93.189 41.353 115.434 -76.468 92.217 41.317 149.180-121.234 93.796 41.888 139.921-107.587 93.647 47.085 143.663-125.846 123.985 171.118 112.827 -82.422 93.515 50.952 99.922-114.256 92.746 41.507 116.287 -76.347 92.909 76.175 138.922-103.976 91.435 48.363 115.985 -76.035 92.640 36.174 129.378 -76.165 92.223 37.245 143.280-133.819 91.657 46.319 145.671 -40.445 90.700 40.072 143.591 -44.715 91.988 37.252 129.308 -76.115 92.256 43.525 129.598 -87.804 92.287 39.981 129.173 -76.235 92.310 39.661 138.418 -78.213 92.393 42.547 137.266 -90.719 91.341 47.976 144.336 -41.863 90.948 42.678 142.741-130.165 92.397 64.504 142.957-123.976 93.023 0.000 129.414 -76.270 # 82 total E -2.28836E+02 rmsd from N 0.000 %NC 0.00 1 93.645 78.390 138.325-102.312 93.575 48.598 139.364-102.227 92.914 38.498 144.176-134.241 92.554 40.053 129.478 -76.211 92.097 41.248 139.722-150.208 90.800 37.617 138.404-147.735 92.133 44.564 127.938 -93.652 89.392 36.890 137.652 -84.008 90.199 50.785 145.537-110.897 92.152 45.487 136.879-141.505 92.370 48.423 148.547-111.847 119.257 -12.208 121.949-130.224 95.347 61.104 144.090-135.469 92.569 128.485 149.093-123.775 92.751 63.084 143.023-140.879 93.594 96.106 132.851 -90.194 96.340-161.132 132.840 -82.713 94.882-162.426 137.625-104.801 117.939 -76.762 142.182-106.422 96.314 -37.584 150.402 -30.872 95.315 103.839 0.000 0.000 115.981 18.072 153.848 -3.269 90.721 46.943 140.130 -87.207 92.731 39.198 136.260-101.311 91.523 39.542 115.257 -76.179 92.262 45.619 146.831 -37.410 92.944 58.610 137.841 -87.017 90.887 52.888 142.242-123.229 109.373-161.263 151.110 -21.120 93.153 71.964 99.804-114.366 93.534 36.440 116.400 -76.411 93.751 39.807 136.566 -98.630 93.882 36.987 115.983 -76.390 93.133 37.293 129.394 -76.222 95.750 29.825 143.990-135.769 95.083 37.028 146.591 -36.680 93.798 35.960 146.895 -40.683 92.754 37.794 129.351 -76.181 92.405 42.959 130.018 -86.438 92.174 41.284 129.283 -76.312 92.500 38.317 138.464 -78.300 92.785 39.847 137.295 -91.534 92.096 45.885 144.841 -41.280 91.480 42.313 142.961-131.852 92.461 63.203 142.985-124.408 93.021 0.000 129.415 -76.270 # 83 total E -2.36429E+02 rmsd from N 0.000 %NC 0.00 1 93.649 71.598 138.517-103.999 93.544 53.069 141.773-111.596 91.534 37.131 143.245-133.261 92.109 44.047 129.446 -76.188 91.340 42.401 139.463-142.727 92.090 36.105 140.193-146.945 92.999 40.290 130.497 -84.803 91.418 36.927 139.993 -87.010 91.584 44.945 148.078-120.133 94.236 53.315 138.670-139.520 93.004 68.043 149.146-118.235 120.342 -88.443 121.439-128.807 96.503-167.291 144.628-138.864 92.325 55.358 150.558-124.441 91.828 36.972 143.164-134.424 93.007 53.079 134.298 -89.721 93.213 89.838 132.357 -79.483 93.447 55.418 136.231-102.425 106.558 -26.665 142.133-117.712 116.242 71.914 112.541 -83.742 137.266 -15.625 0.000 0.000 94.232 47.847 137.411-124.254 94.097 33.224 138.993 -91.398 93.429 41.123 137.789-108.782 93.287 37.985 115.442 -76.439 92.425 40.061 148.503-117.906 93.596 45.193 142.731-123.718 91.194 49.664 142.513-123.668 92.556 49.624 142.738-122.637 121.526 167.309 120.977-127.681 94.407 38.675 116.529 -76.496 93.908 39.690 137.547-103.645 90.921 47.540 116.643 -75.945 92.027 42.555 129.345 -76.211 88.935 38.212 142.019-131.419 91.259 44.416 145.133 -40.213 91.057 39.411 143.746 -42.979 92.177 37.972 129.327 -76.135 92.514 40.984 129.818 -88.097 92.449 39.661 129.306 -76.231 92.731 38.251 137.034 -69.825 92.983 39.950 137.412 -90.308 91.939 45.915 144.870 -41.308 91.581 42.296 142.384-133.033 92.446 63.262 142.996-124.257 93.027 0.000 129.415 -76.266 # 84 total E -2.23240E+02 rmsd from N 0.000 %NC 0.00 0 94.118 154.023 137.916 -97.279 93.351 47.747 140.432-105.420 91.924 42.084 143.365-133.527 92.539 35.879 129.447 -76.218 94.518 47.765 152.653-172.210 92.578 32.550 142.486-152.305 93.921 47.001 130.251 -88.613 102.062 -90.565 139.288 -84.822 108.750 -98.395 150.498 -31.194 91.799 53.908 143.460-147.296 91.777-105.309 146.538-112.930 93.028 96.377 100.587-111.783 125.196-162.391 112.309 -84.776 93.595 87.521 150.004-123.534 92.160 47.650 143.188-134.136 93.434 83.019 136.372 -92.385 93.639 53.355 135.769 -72.021 93.343 38.383 137.403-102.794 94.107 27.843 139.802-109.139 125.450-159.901 113.239 -85.047 95.831 142.282 0.000 0.000 96.063 71.803 106.512 -79.606 91.465 43.855 141.565 -87.619 92.869 38.193 136.598-104.839 91.810 43.594 115.672 -76.091 91.890 57.363 151.345-119.042 92.974 37.300 139.522-101.156 92.221 49.062 142.988-124.759 94.805-179.727 143.958-125.165 92.893 75.193 100.045-114.859 92.034 42.097 116.170 -76.261 92.590 49.673 137.171-103.171 88.553 48.717 115.240 -76.080 91.633 41.559 129.290 -76.107 88.616 40.115 142.003-131.090 90.993 45.781 144.633 -39.202 89.991 39.545 146.490-118.538 92.057 38.172 129.348 -76.120 92.561 39.342 129.940 -87.757 92.326 40.412 129.196 -76.035 93.438 35.440 136.160 -82.289 93.693 38.378 137.054 -93.206 92.590 44.504 144.994 -40.974 92.122 42.030 141.724-136.539 92.449 62.397 142.999-124.392 93.018 0.000 129.418 -76.273 # 85 total E -2.30056E+02 rmsd from N 0.000 %NC 0.00 1 93.507 67.473 135.605 -93.170 93.900 49.861 139.395-104.618 95.094 32.993 144.364-135.634 92.945 40.822 129.564 -76.267 93.252 38.223 139.638-145.602 93.265 38.252 139.650-150.165 93.203 37.612 129.821 -86.880 91.196 40.051 140.319 -85.216 91.068 44.917 148.954-115.491 91.934 53.633 138.013-140.577 93.225 60.596 146.778 -39.340 121.517-176.739 120.599-126.642 94.176 32.634 143.770-135.652 92.675 50.157 145.792 -39.346 89.824 51.052 142.320-130.253 92.824 42.326 130.780 -96.202 93.039 34.258 131.024 -88.713 93.310 48.597 137.983-100.828 92.971 46.025 137.597 -91.955 93.050 36.919 143.732-135.082 94.280 37.269 0.000 0.000 93.213 46.784 135.828-122.764 91.206 43.189 141.338 -92.921 93.006 40.008 136.112-104.859 97.122 80.125 116.017 -76.864 95.115 -57.995 155.170-138.457 96.261 -60.191 139.558-113.062 96.976 -51.138 145.046-128.346 94.631 115.530 143.508-122.875 93.915 40.415 100.270-117.343 97.286 27.014 116.878 -76.800 94.032 57.567 145.130-112.970 90.438 42.053 115.607 -76.015 92.759 34.851 129.371 -76.197 93.585 35.549 143.634-134.680 91.735 44.032 146.571 -40.867 90.630 41.860 143.792 -42.832 91.532 37.557 129.265 -76.102 91.549 44.591 129.270 -86.355 92.301 39.584 129.095 -76.082 92.845 37.326 137.887 -78.141 93.116 39.396 137.200 -91.368 92.161 45.626 144.730 -41.477 91.683 42.230 142.399-134.140 92.441 63.049 143.020-124.180 93.021 0.000 129.413 -76.268 # 86 total E -2.32307E+02 rmsd from N 0.000 %NC 0.00 1 93.924 125.153 140.055-106.687 93.202 58.565 141.314-109.732 90.622 40.877 142.952-132.605 92.111 41.723 129.384 -76.111 91.883 40.991 139.001-143.316 91.519 37.088 139.671-151.526 91.805 42.584 129.511 -85.612 88.556 42.736 139.273 -86.088 90.083 46.972 145.813-112.397 92.613 50.370 137.249-140.294 92.889 44.385 148.807-116.911 92.948 37.200 101.831-116.600 92.753 60.399 149.676 -33.048 92.099 -16.897 146.341-117.131 120.609-137.722 113.091 -84.383 94.536 78.007 134.774 -87.455 94.341 55.822 133.957 -88.229 94.219 159.568 138.657-103.398 114.931-151.688 145.651-145.351 119.983-152.217 154.561 -19.442 95.130 83.408 0.000 0.000 93.157 83.938 138.964-127.230 91.289 41.306 138.479 -88.627 92.690 41.358 136.443-105.466 91.737 40.951 115.200 -76.102 91.705 42.403 148.190-114.759 93.572 42.462 140.941-106.201 92.282 51.021 143.007-124.761 93.688 47.302 143.281-123.709 122.430 173.037 121.399-127.787 91.172 56.275 116.027 -76.177 93.113 49.056 137.240-102.288 89.873 45.336 116.241 -75.380 92.057 40.792 129.347 -76.180 89.183 41.096 142.153-131.524 90.794 46.310 144.945 -40.537 90.549 41.740 144.216 -41.873 91.803 37.293 129.292 -76.103 92.216 41.958 129.634 -88.182 92.297 40.843 129.213 -76.146 92.591 38.030 136.073 -67.375 92.945 40.491 137.448 -89.776 91.899 45.882 144.856 -41.341 91.562 42.436 142.436-133.107 92.432 63.312 142.992-124.173 93.020 0.000 129.414 -76.268 # 87 total E -2.39393E+02 rmsd from N 0.000 %NC 0.00 1 93.665 82.223 138.659-103.439 93.491 49.984 139.245-101.968 92.414 39.420 143.530-133.855 92.425 40.510 129.453 -76.215 92.086 43.000 140.071-147.394 91.740 34.883 138.627-148.258 92.693 41.900 129.581 -87.287 90.492 37.300 138.452 -87.282 90.594 48.038 150.983-122.451 90.587 52.597 137.732-138.445 92.967 62.871 146.793 -39.317 118.843-160.892 121.939-130.077 93.076 53.355 143.415-134.848 92.625 45.084 145.474 -40.273 91.103 45.873 143.165-137.289 92.176 41.685 131.863-100.889 92.126 47.662 130.543 -88.483 92.856 95.004 135.783 -89.381 91.886 42.639 137.992-108.353 90.711 47.578 143.045-132.393 93.748 79.736 0.000 0.000 92.408 39.428 137.418-119.223 93.503 37.593 139.752 -90.905 93.152 39.729 136.343-104.426 92.304 43.040 115.293 -76.370 91.951 40.832 149.056-119.668 93.973 40.730 139.947-107.874 93.934 6.112 143.798-126.183 121.455 148.977 111.993 -82.087 93.270 48.467 100.000-115.100 92.785 40.665 116.293 -76.356 93.454 61.078 137.736-104.408 92.682 141.201 116.542 -76.072 92.655 44.372 129.383 -76.166 90.487 38.759 142.778-132.641 91.131 46.517 144.371 -41.188 91.563 37.588 143.758 -44.343 92.679 38.321 129.366 -76.156 93.391 38.914 129.937 -87.577 92.651 40.147 129.527 -76.356 92.652 40.382 137.803 -69.925 92.996 36.431 137.364 -89.934 92.229 47.133 145.477 -40.026 91.322 40.137 142.922-136.415 92.938 69.195 143.233-124.965 93.010 0.000 129.387 -76.217 # 88 total E -2.36840E+02 rmsd from N 0.000 %NC 0.00 0 93.489 65.617 135.168 -91.866 94.304 43.204 138.895-105.542 97.104 31.429 145.016-137.065 93.285 38.750 129.653 -76.327 93.805 42.339 144.349-160.516 92.157 34.522 141.059-153.866 93.341 36.271 130.512 -85.363 90.637 41.205 139.685 -86.485 91.425 44.214 143.448 -45.939 94.302 54.854 138.682-141.931 93.238 70.950 149.314-117.883 120.004-136.335 122.195-130.112 92.964 75.944 143.415-134.797 91.967 131.710 145.332 -41.938 95.914 62.458 141.837-138.223 93.782 33.006 133.380 -91.336 93.178 54.240 138.277 -93.125 92.682 47.485 136.558 -92.691 92.103 42.298 134.450 -49.330 91.947 43.038 143.535-134.293 93.263 41.345 0.000 0.000 93.159 39.728 135.185-119.485 94.085 35.484 138.276 -91.130 93.237 41.061 136.361-105.007 92.759 40.079 115.383 -76.297 92.556 43.400 150.101-123.849 93.778 36.838 139.636-101.998 93.425 75.000 143.574-125.726 97.175-121.469 144.969-128.680 120.773 -80.386 121.097-128.449 92.938 50.532 116.337 -76.314 92.865 39.410 137.095-102.260 88.789 50.047 115.391 -75.902 92.048 44.258 129.206 -76.161 89.700 36.559 142.250-132.143 91.433 44.301 145.543 -39.707 90.627 41.749 143.508 -43.777 92.015 37.964 129.205 -76.094 92.687 42.145 129.823 -88.832 92.818 35.278 129.321 -76.258 92.898 43.414 139.969 -78.271 92.848 37.522 135.915 -81.749 92.113 44.783 145.050 -40.981 92.406 38.744 142.511-133.680 92.977 59.654 143.335-123.857 93.026 0.000 129.444 -76.299 # 89 total E -2.41255E+02 rmsd from N 0.000 %NC 0.00 1 93.883 118.662 140.018-107.478 93.368 55.487 140.809-104.781 91.284 39.448 143.168-133.017 92.115 42.749 129.529 -76.232 91.798 43.270 143.538-146.444 93.911 31.544 139.237-151.593 94.281 35.580 130.886 -85.777 91.341 41.616 140.730 -86.911 91.286 45.560 143.432 -45.390 92.741 52.300 138.355-141.226 93.109 65.439 149.018-117.131 120.706 -17.976 121.900-128.964 95.083 172.456 143.924-136.675 92.493 50.070 148.952-121.724 92.804 35.553 143.443-134.736 92.814 45.589 134.263 -91.708 92.423 43.342 130.127 -93.167 92.648 53.453 135.807 -99.734 91.997 35.251 139.036-110.650 100.016 -97.366 146.016-138.409 125.638-104.400 0.000 0.000 124.264 11.871 158.201 171.917 90.222 55.393 138.924 -89.405 92.007 45.816 135.908-103.922 88.626 46.219 114.933 -76.233 92.072 52.051 144.806 -37.283 93.121 39.149 140.115-111.129 91.734 60.924 142.775-124.163 94.044-175.050 143.409-124.574 92.957 73.900 99.896-114.827 91.751 43.192 116.107 -76.223 92.676 51.798 138.560-101.993 90.174 42.154 115.567 -75.938 92.429 38.558 129.348 -76.169 90.893 38.678 142.702-132.323 90.277 48.405 150.638-135.882 89.822 40.763 143.962 -42.253 91.461 37.880 129.288 -76.094 91.579 44.677 130.686 -84.624 92.026 41.327 129.243 -76.167 92.284 35.541 137.763 -79.040 92.354 44.947 137.152 -90.899 90.973 46.448 143.121 -44.526 91.305 43.028 142.350-131.504 92.392 64.063 143.003-124.103 93.023 0.000 129.415 -76.270 # 90 total E -2.38373E+02 rmsd from N 0.000 %NC 0.00 1 93.637 76.119 138.307-102.442 93.569 49.821 139.364-102.249 92.876 37.482 143.708-133.758 92.502 41.641 129.515 -76.220 92.142 41.530 139.681-149.923 91.463 36.416 138.650-147.934 92.230 44.480 129.565 -87.309 90.655 36.530 136.204 -82.350 90.993 49.634 146.651-114.794 92.706 43.983 137.233-140.522 95.016 34.475 147.956 -36.945 95.215 34.798 100.895-108.176 94.923 41.320 142.545-132.781 93.689 36.864 145.189 -41.037 93.152 52.300 144.093-135.685 92.883 38.533 133.415 -94.189 94.177 53.561 131.946 -88.464 94.913 -52.296 137.833 -97.065 123.439-116.214 144.730-124.423 94.724 66.583 111.405 -82.971 93.680 75.096 0.000 0.000 91.975 56.951 135.866-123.575 91.201 40.156 138.794 -90.389 92.756 38.620 136.250-104.549 91.963 40.194 115.274 -76.221 91.306 47.497 149.596-126.069 92.710 42.054 140.964 -99.709 90.828 51.988 142.290-123.571 93.233 44.781 143.031-123.142 120.545-173.357 121.772-129.317 92.017 58.046 116.201 -76.241 93.418 42.057 137.350-102.693 91.040 41.374 116.240 -75.636 92.296 41.650 129.380 -76.214 89.740 39.344 142.102-131.659 91.616 42.770 144.802 -39.719 92.401 35.917 144.887 -42.479 92.898 37.529 129.378 -76.173 93.198 42.021 130.075 -87.528 92.526 40.014 129.427 -76.369 92.472 39.149 139.263 -77.357 92.634 39.419 137.308 -91.229 91.879 47.165 144.805 -41.374 91.226 41.970 142.725-130.298 92.484 63.703 143.009-124.386 93.022 0.000 129.416 -76.271 # 91 total E -2.38328E+02 rmsd from N 0.000 %NC 0.00 1 93.852 106.859 140.431-110.905 93.234 56.111 139.371-100.020 90.994 42.125 143.076-132.830 92.217 41.547 129.271 -76.067 91.857 41.002 135.556-141.096 93.314 34.082 138.331-148.642 93.544 39.365 132.083 -86.323 90.464 38.497 141.211 -86.353 91.339 47.142 144.277 -42.299 92.200 52.745 138.398-141.267 91.394 58.891 147.979-109.615 117.676 -92.094 121.857-131.167 95.425 -58.086 144.290-136.483 107.960-137.080 151.292 -28.040 116.956 159.190 152.548-149.703 93.522 37.934 134.130 -94.496 93.277 47.520 133.513 -87.577 92.782 74.913 140.714-102.963 90.739 41.072 134.797-109.496 89.826 51.089 143.009-133.136 91.069 47.662 0.000 0.000 90.747 43.954 136.477-118.432 93.628 32.813 137.765 -89.540 93.295 42.265 136.405-104.989 93.576 37.451 115.614 -76.699 92.630 43.558 152.751-127.561 93.578 35.519 140.135-102.261 93.158 81.097 143.453-125.513 107.719-126.118 150.396-136.506 120.150 -81.888 121.239-129.002 92.615 50.101 116.311 -76.295 92.994 40.877 137.152-102.234 89.710 45.337 115.616 -76.055 92.026 42.541 129.285 -76.180 89.077 39.090 141.998-131.602 91.054 45.079 145.334 -40.322 90.685 39.578 142.792 -43.684 92.214 38.178 129.263 -76.146 93.219 43.536 130.167 -88.377 93.119 33.116 129.344 -76.255 93.168 42.724 140.963 -85.171 92.758 39.969 136.419 -87.032 91.171 47.971 144.715 -41.666 90.697 43.747 141.957-132.839 92.058 64.816 142.856-120.419 93.020 0.000 129.406 -76.267 # 92 total E -2.29476E+02 rmsd from N 0.000 %NC 0.00 1 93.627 79.969 137.993-100.811 93.621 47.849 139.264-102.843 92.923 38.471 143.692-134.175 92.518 40.170 129.467 -76.214 92.561 43.794 142.199-151.717 92.022 34.479 138.848-149.926 92.030 43.844 130.679 -85.263 88.501 46.347 138.129 -86.944 89.371 41.187 146.193-110.018 92.527 56.070 137.072 -22.566 93.172 47.681 145.977 -40.140 92.976 38.390 101.938-115.541 108.860-125.895 151.655 -25.827 122.967 176.102 159.068-136.807 95.086-161.660 144.079-138.272 95.057 46.690 135.733 -94.116 94.569 57.625 133.836 -88.102 94.354 8.639 140.281-116.751 112.330-152.860 147.836-123.531 96.139 56.988 111.475 -82.977 93.655 130.021 0.000 0.000 93.964 40.983 131.445-123.155 92.303 40.021 139.198 -91.148 92.411 40.488 136.153-103.588 90.593 43.033 115.007 -76.348 92.172 41.505 146.356 -38.608 93.192 41.297 141.649-118.335 92.783 24.463 109.146 -83.405 117.034 112.435 151.288 -21.207 93.315 53.237 99.876-112.072 92.337 41.535 116.229 -76.283 93.239 43.183 139.564-104.561 91.508 39.896 116.262 -75.775 92.587 38.379 129.355 -76.197 89.995 41.002 142.261-131.694 90.038 46.522 147.309-119.325 91.058 37.663 143.367 -44.155 92.349 36.002 129.364 -76.145 92.820 43.456 130.416 -86.690 92.675 36.269 129.241 -76.269 93.167 38.911 138.835 -78.578 93.191 38.623 137.228 -91.627 92.195 45.417 144.924 -41.198 91.756 42.182 142.477-134.150 92.451 62.938 142.973-124.353 93.021 0.000 129.413 -76.268 # 93 total E -2.39761E+02 rmsd from N 0.000 %NC 0.00 1 93.630 74.145 138.176-102.234 93.587 50.029 139.402-102.370 92.913 37.302 143.719-134.160 92.454 41.744 129.539 -76.245 92.046 41.363 139.915-147.314 91.640 35.424 138.557-148.729 92.720 40.548 130.409 -92.492 89.160 40.787 141.239 -86.804 90.132 48.061 143.984 -42.923 91.648 51.341 136.963-139.804 92.393 41.118 146.624-107.271 92.861 37.677 101.106-115.149 90.067 49.028 141.072-129.361 91.119 69.130 144.838-115.175 90.074 50.611 140.562-135.109 92.940 42.755 132.675 -91.586 95.467-142.114 132.243 -90.167 96.221 170.501 139.258-106.728 102.634-160.899 143.072-114.928 95.621 52.349 144.677-136.879 95.948 33.590 0.000 0.000 94.059 43.171 136.808-126.697 91.752 39.626 138.865 -93.165 92.383 43.275 136.065-104.008 90.234 41.356 115.105 -76.133 90.747 46.402 149.092-116.885 93.137 39.728 141.214-113.102 91.438 54.300 142.596-123.941 93.512 55.774 143.148-123.683 121.675 154.242 121.379-127.958 92.868 40.150 116.287 -76.325 93.901 40.022 137.469-103.030 91.833 41.205 116.737 -75.927 92.100 41.742 129.443 -76.289 88.521 41.585 141.762-130.929 90.511 45.631 144.799 -41.205 90.740 38.958 143.058 -43.022 92.158 38.336 129.325 -76.124 92.649 42.631 130.000 -87.876 92.641 37.016 129.289 -76.215 93.050 39.000 138.518 -76.617 93.098 39.339 137.251 -90.988 92.003 46.188 144.925 -41.234 91.577 42.138 142.433-133.484 92.451 63.354 143.021-124.171 93.022 0.000 129.413 -76.268 # 94 total E -2.42152E+02 rmsd from N 0.000 %NC 0.00 1 93.646 78.435 138.418-102.733 93.585 51.357 139.570-102.395 92.731 37.251 143.625-134.009 92.417 42.362 129.470 -76.181 92.290 41.280 140.242-146.145 92.175 35.909 138.887-149.397 93.513 38.384 130.073 -86.859 93.516 35.254 137.847 -83.136 93.210 40.230 148.173-124.637 95.774 37.070 138.771-142.172 94.949 150.457 146.329 -38.161 121.870 143.925 120.579-126.458 91.299 34.139 142.663-133.302 92.131 52.198 144.998 -40.367 91.276 41.633 144.404-129.456 92.911 48.569 134.246-100.089 93.623 30.525 131.483 -89.133 94.252 155.213 138.650-100.726 94.359 59.885 146.916-127.218 95.878 25.393 144.658-135.822 96.593 36.216 0.000 0.000 120.019 17.025 157.929-175.118 92.717 45.121 138.865 -92.920 92.787 39.183 136.727-105.958 91.991 42.521 115.451 -76.087 91.650 39.498 149.502-115.917 93.884 43.100 139.510-100.345 93.051 22.368 143.367-125.398 115.171 149.615 110.969 -82.284 93.612 44.224 99.993-114.409 93.195 41.133 116.364 -76.401 93.430 77.170 137.651-104.176 93.064 115.283 117.183 -75.935 92.257 40.567 129.363 -76.158 88.220 45.451 142.060-131.007 90.317 53.674 145.061 -41.181 89.864 42.618 143.834 -41.859 91.391 36.774 129.267 -76.072 91.267 46.281 129.250 -86.660 91.887 44.093 129.122 -76.097 92.224 35.742 137.959 -80.067 92.472 41.569 137.196 -91.141 91.498 46.942 143.753 -43.066 91.322 42.085 142.163-131.208 92.452 64.239 143.013-124.511 93.022 0.000 129.411 -76.269 # 95 total E -2.37209E+02 rmsd from N 0.000 %NC 0.00 1 93.589 66.774 137.359-100.125 93.598 50.138 139.605-104.735 93.929 36.608 143.942-134.660 92.951 37.430 129.421 -76.179 94.745 36.707 140.702-136.794 98.235 33.486 138.658-150.004 95.919 33.854 132.725 -82.840 95.951 34.372 143.503 -88.647 93.208 42.182 152.594-134.929 93.772 53.286 142.627-145.113 91.913 42.585 149.206-119.115 93.511 50.886 100.765-112.768 92.746 85.224 141.870-132.851 107.184-154.128 152.360-133.957 95.482 52.588 144.249-136.642 94.133 34.510 133.653 -90.763 93.644 76.861 136.736 -95.091 93.732 102.762 136.828-107.250 93.094 52.615 140.048-118.087 120.060 -73.941 112.781 -83.827 107.509-168.254 0.000 0.000 128.417 12.901 158.076 169.725 91.190 47.908 141.952 -90.923 92.667 35.949 136.242-104.756 91.385 43.267 115.108 -76.075 90.858 45.398 148.357-118.392 92.880 45.636 141.536-101.550 90.871 47.995 142.296-123.540 93.407 43.640 143.206-123.497 121.088-179.361 121.572-128.764 92.680 52.744 116.283 -76.323 93.493 40.317 137.341-102.828 90.326 46.574 116.651 -75.750 91.900 40.962 129.232 -76.115 87.492 44.506 141.493-130.367 91.213 40.931 143.885 -41.642 92.427 38.536 145.599 -39.567 92.680 35.403 129.357 -76.156 93.128 42.028 130.074 -87.727 92.660 38.603 129.303 -76.316 92.537 39.750 137.739 -68.089 92.601 39.719 137.445 -89.657 91.426 48.836 144.674 -41.655 91.007 41.688 141.687-129.549 92.497 64.497 143.020-124.261 93.022 0.000 129.414 -76.269 # 96 total E -2.35181E+02 rmsd from N 0.000 %NC 0.00 1 93.893 125.743 139.481-104.185 93.194 48.235 137.960 -97.528 93.319 44.054 143.752-134.549 93.238 32.796 129.476 -76.247 94.459 40.659 143.951-159.345 92.252 35.811 141.667-157.529 92.388 44.568 129.878 -85.691 89.759 37.389 138.064 -84.917 91.580 56.645 146.891-116.844 92.642 61.502 138.386-143.076 91.349-120.431 147.568-110.011 120.857 96.190 120.954-127.677 114.459 175.322 153.331 -18.531 92.523 63.231 151.797-129.924 93.560 30.168 143.669-135.159 92.926 48.038 136.718 -83.311 92.557 46.298 130.365 -91.546 93.044 52.692 137.648 -97.423 105.291 1.657 141.683-110.479 110.312 38.209 152.173 -24.420 94.821 36.156 0.000 0.000 92.282 53.346 135.065-127.398 89.778 40.566 138.671 -91.929 92.239 40.861 135.813-103.198 91.011 43.550 115.414 -75.991 91.967 61.241 149.561-119.716 93.813 68.998 139.575-105.286 92.479 -61.938 142.964-124.651 114.730-146.893 151.709 -20.037 122.429 114.313 120.552-126.651 94.772 26.769 116.578 -76.511 93.959 50.118 137.591-103.063 92.192 38.057 115.979 -76.663 92.052 42.199 129.375 -76.253 87.456 47.677 141.573-130.234 90.644 47.857 144.693 -40.955 90.255 40.764 145.194 -39.268 91.573 37.271 129.271 -76.079 91.728 44.717 129.531 -86.351 91.911 43.146 129.312 -76.211 92.010 36.139 137.777 -78.020 92.134 44.764 137.298 -90.715 90.970 46.325 143.253 -44.299 91.196 42.898 142.655-129.002 92.454 63.821 142.976-124.556 93.023 0.000 129.416 -76.271 # 97 total E -2.27287E+02 rmsd from N 0.000 %NC 0.00 1 93.632 77.038 138.171-101.865 93.601 48.891 139.331-102.551 92.876 37.916 143.680-134.158 92.475 40.980 129.479 -76.223 92.368 42.290 141.160-149.192 91.711 35.802 138.667-148.380 92.425 41.205 129.457 -87.180 89.632 41.226 139.905 -88.665 89.321 45.636 148.839-114.140 89.950 51.380 136.314-139.059 92.931 40.262 144.930 -40.946 93.214 37.840 102.117-112.787 95.035 40.480 150.102 -32.512 93.628 36.675 145.508 -39.501 91.226 54.777 143.785-138.387 92.434 41.905 129.555 -85.403 93.107 56.241 131.465 -88.219 93.597 11.327 136.770-104.128 113.529-134.021 138.892 -53.170 95.445 40.201 111.406 -82.973 123.676 -50.587 0.000 0.000 127.024-145.659 160.077 168.915 119.743 -92.553 165.134-121.907 93.130 45.322 137.161-105.192 90.993 52.162 115.626 -76.169 91.061 45.018 146.665-110.684 92.812 51.670 141.088-110.315 90.019 69.954 141.915-122.532 91.477-170.513 142.397-122.411 121.270 0.700 121.232-128.329 92.481 60.345 116.228 -76.251 93.233 38.104 137.787-105.271 91.714 41.846 116.371 -75.913 92.390 39.942 129.462 -76.235 90.552 41.510 110.716 -82.871 89.800 51.540 151.030-126.095 90.016 38.195 145.760-109.381 92.431 35.498 129.406 -76.153 93.293 39.798 130.642 -86.224 92.623 38.960 129.225 -76.172 93.146 36.870 137.765 -84.162 93.158 39.898 136.991 -92.824 92.042 45.868 144.662 -41.631 91.618 42.182 142.358-133.871 92.448 63.239 143.034-124.170 93.022 0.000 129.414 -76.268 # 98 total E -2.32300E+02 rmsd from N 0.000 %NC 0.00 1 93.651 82.784 138.255-101.793 93.610 52.075 141.218-107.936 92.481 36.233 143.555-133.836 92.284 43.529 129.560 -76.215 92.040 44.410 141.538-155.638 91.585 34.846 139.004-151.846 91.941 47.671 128.979 -86.832 87.661 65.243 137.989 -86.272 89.219 41.496 144.225-111.790 94.008 56.757 140.444-140.577 94.223 76.476 150.817-113.493 119.050 -86.234 122.998-131.655 96.242-179.726 111.298 -83.148 112.541 88.976 155.228-135.439 96.029 90.697 150.522 -30.897 120.926-122.979 154.502-113.205 94.250 41.622 133.941 -89.025 93.205 47.895 137.469-101.844 92.169 61.628 140.809-140.424 91.513 64.454 143.471-136.067 92.295 157.301 0.000 0.000 119.374 61.674 157.488 179.796 90.502 46.103 140.844 -88.977 92.437 40.186 136.443-104.863 90.995 43.166 115.703 -76.001 91.202 44.990 149.612-116.317 93.493 38.031 138.700 -98.872 92.480 54.802 143.109-124.956 94.070 175.788 143.509-125.378 92.472 65.108 99.931-115.111 91.166 44.872 116.044 -76.166 92.571 47.378 135.205 -86.168 90.722 40.483 115.997 -76.344 92.406 38.836 129.339 -76.169 89.302 43.032 142.115-131.205 89.605 49.218 147.708-120.735 90.134 42.107 144.670 -41.436 91.514 37.027 129.287 -76.090 91.722 44.801 129.858 -86.274 91.996 42.944 129.222 -76.164 92.088 37.290 137.771 -77.883 92.301 43.540 137.283 -90.432 91.222 46.375 143.554 -43.170 91.407 42.801 142.316-132.434 92.401 63.920 143.005-124.121 93.027 0.000 129.414 -76.269 # 99 total E -2.42497E+02 rmsd from N 0.000 %NC 0.00 1 93.585 87.677 136.848 -95.892 93.638 45.129 139.088-101.446 94.845 38.405 144.251-135.583 93.347 34.733 129.527 -76.274 94.380 40.483 142.922-153.071 92.181 36.252 140.532-155.833 92.508 41.136 129.617 -86.623 90.521 38.112 138.446 -86.365 90.313 49.430 148.078-118.723 89.425 47.729 137.821-141.224 92.336 132.847 145.649 -39.412 92.294 82.107 101.045-115.173 90.401 55.536 142.285-132.384 92.128 153.474 145.366 -41.149 96.886 77.027 145.087-142.673 93.970 23.821 132.794 -91.596 93.408 59.162 136.951 -86.426 92.936 73.739 135.117 -97.320 91.437 47.888 135.202 -55.692 90.972 42.651 143.233-133.644 92.838 41.608 0.000 0.000 93.099 41.662 137.935-120.521 93.509 35.060 138.329 -91.040 93.323 39.119 136.263-104.888 93.385 40.121 115.565 -76.430 92.995 38.727 150.271-125.084 94.163 44.214 141.274-107.817 94.106 39.484 143.889-126.409 95.340 143.364 144.354-127.438 94.099 42.010 99.701-113.253 95.582 31.272 116.730 -76.629 93.308 52.476 137.855-105.890 90.310 59.659 114.961 -76.265 92.025 40.099 129.322 -76.167 89.878 37.441 142.522-132.106 91.527 54.798 146.407 -37.559 89.479 44.026 144.287 -43.085 91.140 36.672 129.250 -76.064 91.288 46.383 129.553 -78.880 91.961 42.856 129.190 -76.085 92.196 35.375 138.114 -80.831 92.345 42.848 137.158 -91.349 91.004 47.428 142.909 -44.309 91.339 42.092 141.338-132.097 92.456 64.208 143.034-124.282 93.023 0.000 129.416 -76.270 # 100 total E -2.45952E+02 rmsd from N 0.000 %NC 0.00 1 93.574 69.824 137.053 -98.352 93.805 54.169 141.723-111.686 92.746 34.204 143.634-134.021 92.243 44.754 129.451 -76.164 91.905 42.384 139.562-145.133 92.385 36.202 136.623-158.102 92.601 35.563 129.538 -87.121 88.766 49.295 140.255 -86.015 89.960 47.311 141.756 -46.779 93.434 58.108 137.425-143.639 94.095 75.538 148.526-113.273 120.724-139.124 122.674-130.418 94.456 43.761 143.734-135.551 92.304 44.114 144.928 -38.841 90.352 42.844 141.746-133.543 93.073 47.904 132.272-100.083 92.734 33.178 131.152 -89.341 93.360 124.652 139.627-112.975 93.160 64.556 137.934 -95.942 92.177 34.564 143.541-133.945 94.300 42.589 0.000 0.000 93.859 37.114 134.963-121.709 91.975 42.525 140.448 -94.327 91.985 41.220 135.778-103.309 88.728 49.662 114.937 -76.272 91.101 41.591 144.394 -42.151 93.870 55.956 137.283 -88.629 94.858 -38.785 144.143-126.825 123.413-105.567 153.149 -18.548 118.883 121.153 121.898-130.520 92.261 45.447 116.126 -76.268 92.789 78.664 139.344-102.192 91.000 39.576 115.518 -76.543 92.108 44.562 129.395 -76.173 87.525 61.115 141.723-130.158 89.474 49.163 144.479-111.094 91.248 39.267 144.726 -40.683 92.369 36.138 129.357 -76.125 92.766 42.663 130.314 -85.326 92.328 40.151 129.506 -76.484 91.803 42.406 138.958 -75.239 91.748 45.270 137.435 -89.619 90.740 47.283 143.654 -42.579 91.068 43.085 143.342-129.391 92.401 64.700 142.976-124.175 93.023 0.000 129.414 -76.271