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