+++ /dev/null
- jlee = 1 nbank = 100 nstep = 100 142814 0 4536.65870
- # 1 total E -1.60502E+02 rmsd from N 0.000 %NC 0.00
- 93.808 -15.753 136.683-101.585
- 124.907-110.738 150.696 -93.678
- 93.227 48.416 111.210 -82.885
- 92.342 48.313 129.460 -76.278
- 91.314 47.277 139.899-144.805
- 93.970 38.297 143.609-156.670
- 94.411 91.083 130.425 -87.755
- 125.461 103.350 164.207-105.515
- 91.783 49.809 151.427-115.911
- 93.693 57.293 142.784-140.842
- 91.716 66.996 149.627-120.166
- 117.104 10.952 121.787-131.104
- 92.429 111.768 143.215-133.784
- 92.285 98.839 148.435-116.697
- 93.064 71.125 143.399-135.043
- 114.828 -74.836 154.245-109.923
- 95.972 142.293 134.817 -88.068
- 123.954-152.700 150.696-101.843
- 119.256 -87.581 144.489-122.125
- 96.376 159.783 149.776 -26.152
- 92.046 63.411 0.000 0.000
- 114.941 18.821 152.562 -6.287
- 92.096 46.143 139.695 -89.121
- 92.824 40.039 136.290-104.315
- 91.652 42.295 115.210 -76.172
- 92.103 45.028 153.034-131.205
- 93.229 48.549 142.437-110.422
- 92.486 3.846 143.045-124.673
- 121.409 151.313 152.340 -18.926
- 121.983-165.512 120.740-126.979
- 111.585 -82.242 143.843 -80.556
- 93.754 63.479 137.548-103.546
- 94.296 119.449 116.450 -76.426
- 126.239-138.570 147.361 -83.239
- 111.649-166.704 153.026 -23.752
- 117.945 -89.261 156.488 -19.989
- 92.656 63.409 145.046 -40.434
- 92.597 39.606 129.308 -76.095
- 93.889 104.307 131.445 -92.060
- 93.300 -33.624 129.517 -76.370
- 94.466 -61.033 136.831 -91.046
- 92.889 -64.208 138.211 -93.387
- 94.675 -19.349 148.708 -34.109
- 95.125 -65.449 143.314-129.513
- 93.098 -1.201 143.609-126.426
- 93.048 0.000 129.505 -76.268
- # 2 total E -1.53642E+02 rmsd from N 0.000 %NC 0.00
- 93.771 111.849 138.535-102.171
- 93.787 63.705 137.764-103.295
- 128.594 -31.652 113.041 -84.088
- 121.610 17.132 147.365 -84.570
- 110.341 179.462 144.009 -11.662
- 108.632 109.988 138.097-164.462
- 121.217-118.193 153.275-108.299
- 119.128 25.159 164.931-116.399
- 91.316 44.792 149.299-114.670
- 92.522 54.510 141.536-145.330
- 93.076 65.320 147.112 -39.325
- 118.910 -93.203 121.354-129.196
- 94.725 125.325 150.064 -31.145
- 111.132-125.458 153.249-128.509
- 94.023 121.708 143.824-135.608
- 122.318 178.504 153.589-108.513
- 94.349 46.097 134.248 -89.236
- 121.611-135.254 151.647 -98.467
- 121.323 -80.812 149.083-178.607
- 97.203 129.240 149.677 -29.331
- 117.698 12.782 0.000 0.000
- 119.785 10.627 152.973 -3.716
- 92.623 50.003 140.655 -88.534
- 92.767 39.654 137.613-105.498
- 91.481 43.384 115.346 -76.240
- 92.088 50.456 149.134-119.749
- 93.696 16.740 139.480 -99.233
- 113.172-167.998 151.752 -19.538
- 111.788 -84.935 153.275-144.409
- 93.357 79.972 99.821-114.582
- 92.971 26.499 116.344 -76.385
- 95.132-143.908 138.368-106.748
- 120.053-158.670 121.198 -79.010
- 126.711 -92.798 146.504 -81.952
- 92.151 44.161 149.706 -32.286
- 90.839 49.295 149.920-122.592
- 89.961 41.515 147.378-109.654
- 91.925 37.064 129.376 -76.158
- 92.046 42.925 130.439 -84.783
- 92.187 40.706 129.150 -76.077
- 92.877 36.476 137.036 -80.002
- 93.214 40.451 137.127 -92.236
- 91.358 48.792 147.859-113.862
- 91.079 46.610 142.738-135.814
- 91.281 74.093 142.447-123.177
- 93.022 0.000 129.337 -76.244
- # 3 total E -1.52354E+02 rmsd from N 0.000 %NC 0.00
- 120.440 123.688 150.068 -70.292
- 93.964 41.930 142.045-109.930
- 94.640 44.111 145.258-134.753
- 93.202 9.508 129.653 -76.412
- 116.743-175.404 147.381 -7.641
- 96.263 61.961 142.775-162.213
- 94.850 179.794 135.435 -89.078
- 119.414-111.257 165.951-123.532
- 93.910 29.711 150.280-117.587
- 97.567 50.028 141.484-145.540
- 94.499 135.417 149.841-119.232
- 119.572 147.607 121.570-129.062
- 108.785-158.721 148.026-146.417
- 108.094 11.362 151.425 -27.848
- 94.512 66.462 144.149-136.309
- 95.496 -36.137 134.357 -93.030
- 119.049 95.812 153.836 -87.939
- 93.570 68.957 141.348-109.787
- 92.279 77.890 137.043-150.612
- 126.566-101.722 111.204 -83.235
- 93.283 34.539 0.000 0.000
- 122.922-157.253 157.548 178.972
- 109.306 -19.389 141.761 -88.299
- 94.269 76.649 137.116-107.410
- 94.566 115.496 117.191 -76.713
- 91.616 65.908 146.993-108.016
- 94.082 108.772 139.109-103.401
- 117.726 -99.845 112.396 -82.540
- 96.548 41.408 149.804 -23.954
- 120.336-133.044 121.201-128.835
- 95.042 24.306 116.733 -76.585
- 95.431 168.232 140.247-111.100
- 117.600 172.285 120.283 -78.677
- 92.786 55.267 129.420 -76.133
- 92.247 38.063 143.211-133.370
- 91.178 45.320 148.230-110.936
- 91.521 38.510 147.543-119.089
- 92.730 43.874 129.415 -76.160
- 93.650 51.709 130.528 -89.413
- 125.310-170.079 147.033 -83.969
- 93.591 66.029 137.536 -84.365
- 93.690 64.917 137.325 -88.958
- 91.884 22.273 148.560-115.244
- 113.798-178.005 112.911 -84.226
- 93.015 48.718 143.175-124.697
- 123.463 0.000 147.006 -83.662
- # 4 total E -1.51285E+02 rmsd from N 0.000 %NC 0.00
- 93.628 55.960 137.729-103.792
- 95.068-102.256 137.989-103.852
- 125.196-123.817 112.754 -83.497
- 123.159 171.499 145.924 -82.078
- 96.259 30.075 139.449-148.088
- 96.531 45.351 140.727-157.514
- 94.380 106.413 134.136 -91.484
- 100.846-116.594 139.532 -86.115
- 93.275 59.069 146.121 -37.849
- 92.966 38.990 140.225-141.360
- 92.515 43.131 148.458-112.494
- 121.669 -12.631 120.611-127.094
- 104.799 93.021 151.053 -27.611
- 104.391 -81.992 150.168 -31.776
- 92.475 90.882 143.205-133.666
- 93.835 97.551 133.637 -95.440
- 93.433 70.083 134.490 -95.265
- 92.892 98.706 137.364-102.190
- 112.804 -83.510 130.370 -96.667
- 95.224 -76.448 150.106 -32.103
- 94.327 27.390 0.000 0.000
- 123.339-119.337 151.981 -4.112
- 102.995-129.727 138.493 -86.778
- 93.516 55.963 138.013-110.979
- 94.230 89.658 116.086 -76.407
- 110.185 -85.859 152.728 -25.931
- 119.752 -0.528 145.739-110.500
- 118.337-118.401 111.938 -82.678
- 119.870-172.573 152.963 -18.257
- 120.883 -1.496 120.882-127.951
- 92.150 59.410 116.026 -76.207
- 93.006 40.973 137.180 -97.287
- 91.517 41.785 115.716 -75.815
- 92.597 37.129 129.460 -76.239
- 91.280 48.033 142.487-132.261
- 91.256 43.798 146.740-119.925
- 93.696-165.356 145.133 -38.693
- 92.463 58.621 129.508 -76.248
- 94.480 170.847 129.599 -91.853
- 93.162 67.734 129.665 -76.315
- 93.632 49.274 137.949 -85.569
- 116.816 -3.148 146.203 -91.209
- 93.131 58.010 148.469-117.349
- 115.267-151.250 151.993 -24.983
- 92.236 88.732 143.061-124.368
- 93.015 0.000 129.325 -76.189
- # 5 total E -1.45342E+02 rmsd from N 0.000 %NC 0.00
- 120.600 -32.119 152.490-100.694
- 125.175-116.082 151.458-129.448
- 93.843 47.632 144.075-134.876
- 92.401 48.017 130.033 -76.710
- 92.278 37.280 138.072 -26.852
- 91.163 42.076 141.720-155.880
- 92.252 50.795 128.632 -86.230
- 89.551 79.249 141.765 -85.560
- 89.978 16.893 147.950-114.553
- 103.648 -86.634 144.003 -14.093
- 105.492 145.057 150.100 -29.985
- 119.139 -18.763 121.179-129.182
- 97.466 48.337 145.070-137.158
- 120.701-111.651 158.670-139.552
- 110.282-177.493 149.103-147.656
- 96.750 -70.387 130.633 -87.033
- 94.442 98.012 134.221 -88.590
- 117.901-145.868 150.887 -94.266
- 94.889 107.284 140.768 -97.472
- 111.293 15.056 113.052 -83.223
- 94.335 37.080 0.000 0.000
- 120.778 135.565 157.864-177.657
- 94.205 57.288 140.880 -87.694
- 93.770 52.657 137.133-106.130
- 93.944 93.424 117.043 -75.803
- 91.589 60.861 150.544-118.616
- 94.110 17.437 139.398-104.880
- 97.422-150.516 145.520-129.211
- 123.097-108.955 113.234 -82.264
- 120.059 169.130 121.561-129.454
- 121.648-142.682 149.155 -71.154
- 94.447 -57.578 137.332 -99.681
- 92.573 12.144 116.035 -76.243
- 121.048 -81.951 145.123 -82.187
- 97.117-132.884 149.506 -28.709
- 93.743 36.795 146.535 -39.055
- 92.704 47.471 147.405-111.443
- 124.695 -1.517 147.002 -82.432
- 94.479 97.479 132.368 -88.880
- 125.244 153.769 146.866 -84.033
- 93.484 51.636 137.872 -86.157
- 93.160 46.929 137.283 -89.482
- 90.647 51.553 147.268-116.361
- 91.046 39.677 143.140-131.139
- 95.144 73.040 149.663 -23.466
- 93.014 0.000 129.386 -76.241
- # 6 total E -1.41805E+02 rmsd from N 0.000 %NC 0.00
- 123.300 -78.818 150.044 -71.434
- 94.653 -24.226 137.734-101.011
- 96.072 -66.003 145.044-132.915
- 92.848 105.143 129.561 -76.393
- 137.407 -1.076 107.786 -88.086
- 117.875 56.088 103.415 -82.337
- 93.142 6.311 133.029 -88.509
- 120.342 172.670 164.577-101.117
- 92.635 61.437 150.758-114.149
- 97.168 51.872 143.019 -18.508
- 94.190 75.761 147.251 -36.647
- 120.111-163.155 121.946-129.758
- 96.156 67.356 150.094 -31.197
- 93.000 84.430 147.505 -36.687
- 92.140 47.936 143.378-139.847
- 92.378 39.462 132.694 -90.753
- 93.590 121.655 132.031 -83.563
- 93.702 53.339 135.921-102.105
- 93.297 29.341 140.357-110.231
- 95.760 58.680 144.778-137.352
- 132.859 -98.528 0.000 0.000
- 125.453 136.031 158.186 174.597
- 108.313 -2.390 142.473 -86.062
- 94.009 70.577 138.780-114.793
- 93.031 133.514 116.553 -76.663
- 92.094 61.884 147.130-111.571
- 94.048 127.433 139.437-105.749
- 104.780-128.175 148.986-133.868
- 92.964 107.355 143.439-124.681
- 121.798 -83.229 119.816-125.902
- 90.345 -55.902 115.486 -76.046
- 93.767 -24.078 138.284-100.999
- 97.199 -64.333 116.687 -76.952
- 93.483 -52.995 129.479 -76.236
- 95.200 103.882 111.279 -82.879
- 92.958 26.722 145.688 -38.514
- 92.964 172.207 146.820 -39.669
- 124.384 15.902 147.945 -83.802
- 94.523 -70.936 132.970 -89.360
- 93.503-121.630 129.551 -76.262
- 115.971 -84.418 144.960 -65.606
- 93.316 73.547 138.286 -91.059
- 92.486-120.413 146.408-114.641
- 92.851 130.958 143.489-134.894
- 94.593 -5.099 143.735-126.125
- 123.647 0.000 147.016 -83.296
- # 7 total E -1.41743E+02 rmsd from N 0.000 %NC 0.00
- 93.901 135.248 138.079 -98.040
- 93.700 74.141 138.048-103.817
- 110.557 -22.652 151.245 -25.391
- 93.948-140.785 129.486 -76.207
- 104.746 -12.436 145.927-163.485
- 112.830 150.278 103.084 -79.914
- 96.735-129.737 135.315 -84.530
- 92.831 40.582 140.693 -85.628
- 92.953 46.635 149.152-117.007
- 118.488 4.548 145.165 -7.022
- 94.419 39.237 151.931-129.597
- 122.995-140.239 120.480-125.986
- 95.415 121.646 149.371 -31.680
- 117.096 178.527 156.657-137.643
- 107.775 145.478 147.941-145.430
- 95.199 -54.394 131.813 -93.625
- 94.591 -50.861 132.189 -90.627
- 93.344 130.371 138.355-102.556
- 116.944-140.178 141.217-131.156
- 114.480 156.739 152.736 -22.638
- 130.877 -85.267 0.000 0.000
- 126.259-137.958 157.974 176.781
- 110.190 28.789 166.225-129.825
- 92.109 52.436 136.381-109.179
- 89.308 60.291 115.234 -76.057
- 91.186 137.225 146.118-106.010
- 93.542 55.279 139.215 -90.310
- 91.809 46.873 142.871-124.502
- 93.084 141.074 143.113-123.187
- 121.539 63.756 120.191-126.616
- 93.061 36.563 116.332 -76.393
- 93.717 58.751 137.342-102.775
- 93.339 131.344 116.677 -76.457
- 122.917 63.528 146.774 -83.166
- 108.951 -87.858 148.774-145.986
- 114.289-177.832 156.007-131.700
- 93.160 103.318 145.432 -40.090
- 93.183 -69.148 129.391 -76.237
- 94.090 86.188 133.102 -89.538
- 93.359 159.063 129.459 -76.245
- 121.847-150.595 152.321-108.708
- 93.744 71.215 138.394 -92.147
- 92.581 -10.403 145.950-106.201
- 114.259 47.918 152.809 -26.383
- 121.700-161.889 112.879 -82.252
- 93.382 0.000 129.528 -76.271
- # 8 total E -1.40218E+02 rmsd from N 0.000 %NC 0.00
- 93.809 -25.853 134.918 -97.995
- 94.121 -76.829 135.267 -99.908
- 93.707 -36.026 150.022 -31.791
- 119.802-102.027 146.169 -82.753
- 120.472-145.178 151.918-177.001
- 124.611 -3.312 147.497 -0.630
- 122.934 108.899 154.762 -99.507
- 91.893 -0.047 141.605 -86.366
- 94.976-106.898 146.983 -37.746
- 120.233 -34.147 148.314-170.548
- 92.080 70.358 149.493-117.942
- 92.381 78.034 100.148-113.528
- 115.284 -36.180 111.119 -83.931
- 92.477 84.440 145.428 -41.505
- 101.511-110.891 145.479-137.653
- 123.246 156.160 155.252-103.986
- 122.167-105.259 152.910 -90.659
- 94.006 155.396 137.773-103.461
- 109.464-146.116 132.829 -76.657
- 92.464 70.512 143.710-133.501
- 131.071 -51.178 0.000 0.000
- 130.081 146.118 158.210 169.785
- 90.479 65.064 141.117 -87.242
- 92.893 31.843 136.663-104.861
- 92.719-177.543 116.217 -76.262
- 110.699-143.085 152.606 -27.017
- 93.946 93.671 138.933 -97.588
- 113.143 -80.061 152.108 -21.809
- 92.033 83.043 143.418-123.380
- 93.201 133.591 99.959-116.267
- 92.977 89.411 116.323 -76.348
- 94.374 -67.392 136.258-104.364
- 115.817-108.360 120.120 -78.695
- 117.220 101.396 146.739 -82.460
- 94.157 37.321 150.138 -31.822
- 92.103 155.931 148.716-106.428
- 104.390 30.224 150.814 -31.793
- 91.985 46.985 129.454 -76.144
- 92.236 68.600 132.016 -91.436
- 92.337 41.697 129.191 -76.211
- 92.829 34.688 138.025 -78.695
- 93.024 44.630 137.194 -91.451
- 91.664 44.388 143.898 -43.826
- 92.945 40.133 150.177 -33.319
- 95.310 64.816 149.692 -23.530
- 93.017 0.000 129.393 -76.262
- # 9 total E -1.39772E+02 rmsd from N 0.000 %NC 0.00
- 93.609 55.527 137.662-103.468
- 93.802 55.855 137.651-103.067
- 117.034-166.126 151.685 -19.222
- 93.253 -42.950 129.853 -76.605
- 111.307 -9.943 148.558 -8.802
- 94.871 -50.861 141.745-154.953
- 93.090 -7.451 132.196 -84.806
- 120.053 123.111 163.147-101.159
- 93.455 81.668 150.221-118.506
- 94.946 95.447 143.288-144.405
- 91.374-175.980 148.233-106.361
- 93.561 53.214 100.579-110.956
- 95.039 32.604 143.947-135.466
- 94.847 42.788 146.508 -38.054
- 95.941 67.181 112.488 -84.301
- 95.889 -57.701 133.300 -93.816
- 119.470 118.941 154.723-102.605
- 93.974 43.840 137.861-105.347
- 117.878-117.308 145.535-116.961
- 95.402 35.018 150.290 -30.891
- 115.241 -81.969 0.000 0.000
- 122.870 -20.823 152.840 -1.852
- 123.683-178.919 164.783-117.507
- 93.131 79.734 138.553-109.309
- 92.537 -26.899 115.557 -76.436
- 109.595-168.948 154.612-129.888
- 126.843-119.459 153.612-114.333
- 93.448 -63.801 142.898-125.610
- 117.805-119.063 152.282 -19.243
- 119.411 22.956 121.977-130.424
- 93.293 62.840 116.395 -76.365
- 93.600 163.104 137.828-103.957
- 123.227 167.327 148.728 -76.055
- 93.535 -10.286 129.429 -76.141
- 97.629 94.084 145.930-141.177
- 103.961 -28.580 149.555 -31.528
- 94.185 79.844 147.018 -38.988
- 93.145 165.339 129.251 -76.109
- 121.869 161.010 154.279-124.252
- 126.038-102.877 146.846 -82.709
- 93.600 34.522 137.953 -82.222
- 93.178 52.838 137.026 -90.892
- 91.730 75.169 144.672 -41.789
- 91.640 56.963 143.156-135.638
- 94.400 78.852 149.649 -23.350
- 93.023 0.000 129.395 -76.229
- # 10 total E -1.37509E+02 rmsd from N 0.000 %NC 0.00
- 93.600 55.062 137.547-103.130
- 94.438 -85.395 135.520 -94.369
- 94.549 -10.781 150.179 -31.541
- 121.817-124.762 146.963 -83.316
- 127.319-178.817 156.450 173.499
- 89.302 -45.682 140.671-151.169
- 94.088 -56.795 130.693 -73.549
- 82.126 128.527 138.688 -86.024
- 91.874 76.523 146.057-109.714
- 93.068 121.451 141.606-142.758
- 91.787 23.546 147.785-115.186
- 116.382 -58.934 120.668-129.774
- 91.762 -42.832 149.664 -31.971
- 92.174 107.762 150.541-123.115
- 115.715-118.774 151.069-151.082
- 123.040-175.487 153.377-125.347
- 94.658 36.489 132.984 -82.092
- 94.208 157.111 139.969-120.192
- 94.744 70.834 137.332 -99.602
- 94.944 -2.749 144.380-135.234
- 129.639 175.369 0.000 0.000
- 128.816 135.781 160.190 166.928
- 102.987 -95.871 140.211 -84.820
- 93.153 85.239 138.221-109.473
- 92.046 77.205 115.211 -76.543
- 92.501 41.159 149.792-120.542
- 93.421 56.513 139.054 -84.427
- 94.609 20.177 149.930 -23.803
- 109.118 -86.323 110.717 -82.204
- 118.791-108.186 121.404-129.962
- 92.181 55.653 116.554 -76.377
- 93.421 36.380 137.245-103.483
- 93.534-179.240 116.189 -76.309
- 128.317-143.209 147.332 -81.764
- 93.043 133.117 144.263-134.500
- 91.802 81.148 146.622-109.880
- 91.313 87.779 148.785-120.482
- 93.902 -17.306 129.489 -76.249
- 96.354 74.892 131.191 -89.167
- 128.888-149.725 147.832 -82.290
- 93.850 83.274 138.942 -93.113
- 119.219-176.427 141.013 -76.106
- 112.259-128.154 153.481 -23.879
- 93.512 42.345 142.472-136.145
- 93.662 75.081 143.384-124.673
- 93.027 0.000 129.430 -76.222
- # 11 total E -1.36967E+02 rmsd from N 0.000 %NC 0.00
- 123.187-122.809 151.385-101.176
- 125.319-154.928 149.066 -73.687
- 93.218 38.809 143.931-134.319
- 118.635 -4.855 146.905 -84.504
- 116.441-105.991 146.653 -7.711
- 113.992 -1.493 146.707-174.662
- 94.961 -87.740 135.345 -83.987
- 95.191 145.869 140.051 -85.043
- 110.000-144.277 152.042 -27.066
- 94.908 84.667 98.287 -77.339
- 111.630-100.708 155.831-136.506
- 123.079 17.539 120.357-125.592
- 110.308-136.171 149.456-147.548
- 115.858 13.741 154.694-134.945
- 95.602 49.413 143.644-137.227
- 115.846 5.893 154.461-109.774
- 93.762 54.663 133.639 -85.367
- 93.704 41.280 138.645-120.594
- 92.707 56.306 149.095-126.678
- 93.010 8.441 143.781-134.312
- 119.623 169.243 0.000 0.000
- 132.345 -75.213 162.289 160.962
- 93.860 -62.160 138.197 -90.898
- 93.116 90.472 138.184-109.289
- 93.700 34.918 115.498 -76.504
- 92.736 63.503 146.259 -37.919
- 93.831 43.889 139.496-119.435
- 93.403-102.502 143.454-125.153
- 121.260-174.807 152.480 -18.523
- 120.429-101.986 120.851-128.044
- 96.176 -5.096 116.892 -76.663
- 96.677 -72.477 139.630-106.845
- 122.992-112.836 121.504 -79.494
- 110.377 47.772 146.158 -83.514
- 91.330 41.979 112.353 -84.091
- 90.689 62.915 147.729-108.459
- 91.192 -4.347 144.725-111.333
- 123.880-165.447 147.220 -82.022
- 93.921 57.422 133.868 -89.721
- 92.829 46.348 129.461 -76.222
- 94.065 163.106 138.477 -93.374
- 125.857-118.104 151.191-101.841
- 108.227 -31.570 151.712 -28.825
- 92.831 -35.663 142.821-132.660
- 110.794 -92.309 151.433 -20.095
- 93.369 0.000 129.505 -76.303
- # 12 total E -1.36888E+02 rmsd from N 0.000 %NC 0.00
- 93.721 -4.903 136.519 -99.364
- 124.452-127.210 147.711 -63.314
- 93.985 62.248 111.266 -82.805
- 93.083 161.020 129.475 -76.213
- 114.033 97.265 149.843-168.686
- 92.712 45.706 141.091-156.621
- 93.085 39.675 130.011 -73.279
- 90.940 41.489 140.485 -86.009
- 91.771 37.412 147.568-114.259
- 95.444 47.934 98.413 -81.228
- 93.319 112.588 150.012-114.692
- 92.910 40.433 100.079-109.449
- 92.442 62.443 143.097-133.756
- 93.250 168.300 145.367 -39.787
- 95.254 72.449 150.626 -30.896
- 93.817 26.831 132.072 -91.346
- 113.901 159.806 153.480 -75.171
- 95.653-153.642 139.640-107.388
- 105.603-177.153 145.025-147.367
- 94.691 35.837 143.662-138.212
- 94.033 75.443 0.000 0.000
- 115.821 113.777 152.063-155.556
- 94.363 41.991 141.614 -89.479
- 93.348 36.925 137.050-105.966
- 92.460 80.832 116.475 -76.399
- 92.186 59.015 145.368 -39.420
- 93.248 32.343 139.718-104.979
- 92.069 77.215 142.903-124.214
- 118.277-117.253 151.842 -21.043
- 97.176-161.586 98.803-108.849
- 91.335 63.577 116.592 -75.837
- 93.194 10.535 137.277-103.032
- 106.817-129.681 118.122 -77.534
- 123.367-174.480 146.567 -80.711
- 95.350 46.382 150.158 -32.283
- 93.777 -97.824 150.592-129.945
- 116.043-161.941 154.674 -22.249
- 124.036 175.576 146.471 -82.988
- 126.263-121.097 154.039-123.601
- 126.663-109.689 147.812 -82.457
- 121.702-103.003 145.219 -63.252
- 93.534 57.096 138.052 -88.794
- 92.751 43.427 145.028 -40.698
- 92.677 45.977 144.003-137.114
- 92.420 91.170 142.942-124.574
- 123.894 0.000 146.580 -84.036
- # 13 total E -1.33052E+02 rmsd from N 0.000 %NC 0.00
- 119.562 -15.208 152.069 -93.648
- 95.391-113.959 138.623-108.065
- 95.852 142.166 144.475-135.387
- 123.117-131.386 150.726 -85.666
- 93.531 91.806 135.850 -28.966
- 128.018-119.334 146.353 -2.187
- 92.496 74.920 130.563 -87.136
- 89.541 89.936 139.156 -88.189
- 92.109 87.793 144.499 -42.487
- 118.225 37.845 148.477 -8.238
- 118.268-124.937 156.193-128.515
- 120.461 107.584 121.247-128.376
- 94.000 30.100 143.575-134.617
- 91.975 76.780 149.006-115.432
- 93.621 85.273 149.511 -37.621
- 95.905 -74.956 134.073 -93.258
- 94.851 107.099 134.352 -88.215
- 94.065 -24.487 135.111 -95.267
- 117.533-123.266 141.183 -87.265
- 92.965 63.533 143.841-130.453
- 131.203-114.219 0.000 0.000
- 129.406 149.690 157.715 172.995
- 90.556 60.808 141.864 -88.887
- 92.735 67.658 136.594-100.150
- 90.322 104.447 115.686 -75.867
- 92.115 124.040 146.619-119.961
- 93.865 88.401 139.163-104.101
- 94.045 -73.731 109.063 -83.437
- 115.612 133.886 151.771 -19.756
- 120.946 157.941 121.214-128.595
- 94.268 29.627 116.561 -76.497
- 94.704 149.063 137.695-104.704
- 110.107 169.954 119.198 -77.772
- 92.959 46.747 129.459 -76.210
- 92.853 36.642 111.115 -82.710
- 91.560 56.684 151.383-131.061
- 93.060 84.610 145.293 -39.179
- 122.555-157.708 147.084 -82.467
- 124.265 -88.218 153.346-150.351
- 124.725 -85.732 146.550 -83.269
- 94.355 -38.325 137.079 -89.488
- 94.311 -46.857 138.281 -97.168
- 106.817-100.204 150.518 -29.141
- 93.785 33.171 142.268-130.918
- 95.772 128.981 109.142 -83.072
- 124.726 0.000 146.753 -83.517
- # 14 total E -1.31115E+02 rmsd from N 0.000 %NC 0.00
- 119.602 -20.641 152.386-107.822
- 94.543 -79.878 135.102 -91.297
- 96.302 177.717 149.865 -30.281
- 120.785-162.224 148.062 -82.640
- 124.163 -58.253 150.922-178.328
- 94.184 65.977 140.261-155.568
- 92.152 13.193 131.135 -87.509
- 113.720 114.074 164.324 -88.320
- 92.275 44.252 147.342-116.560
- 95.351 32.755 141.211-142.929
- 94.321 178.956 146.916 -36.181
- 116.531 1.172 123.385-133.761
- 115.357-106.597 112.000 -83.651
- 92.701 75.140 148.935-126.414
- 96.349 118.023 150.504 -30.800
- 116.615 -67.157 153.827 -99.807
- 121.144 116.726 154.491-100.203
- 118.737 165.701 151.991 -82.987
- 108.639 41.227 142.567-117.268
- 93.698 38.799 144.017-134.499
- 117.798-118.867 0.000 0.000
- 124.695-102.834 157.354 178.905
- 116.534 -20.131 165.682-126.426
- 93.336 68.345 135.151-107.232
- 95.570 129.656 115.994 -76.507
- 94.730-123.182 151.434-123.911
- 93.927 44.763 139.460-102.053
- 93.514 48.771 109.894 -83.741
- 93.804 169.955 144.559-124.871
- 117.467-175.476 121.961-131.507
- 134.390 161.390 124.287 -81.831
- 93.408 46.649 137.628-100.862
- 92.341 44.437 116.113 -76.214
- 92.201 43.952 129.650 -76.387
- 87.475 44.392 142.651-131.076
- 89.342 51.651 147.645-112.588
- 91.570 38.798 143.940 -42.002
- 93.115 35.847 129.417 -76.110
- 94.526 68.962 130.292 -90.090
- 129.892-122.322 148.059 -85.326
- 95.212 -32.277 138.052 -92.560
- 96.382 -89.502 138.494-102.754
- 92.489 95.579 149.656-117.571
- 94.049 44.072 111.259 -83.107
- 92.877 103.768 143.442-125.790
- 124.100 0.000 147.104 -83.708
- # 15 total E -1.30054E+02 rmsd from N 0.000 %NC 0.00
- 122.841 174.786 149.985 -83.474
- 114.606 17.270 152.926 -94.469
- 94.172 54.922 144.181-135.526
- 93.208 171.275 129.519 -76.224
- 120.190-172.828 150.714-173.316
- 123.530 -95.678 148.716 -1.330
- 94.873 -48.853 135.570 -80.441
- 87.533 -45.016 140.819 -85.254
- 90.617 -42.663 146.119-105.651
- 94.979 -35.871 98.044 -76.576
- 93.008 -33.097 147.742-111.318
- 121.704 4.971 120.821-127.209
- 118.538-101.265 153.107 -20.195
- 92.529 74.735 151.118-129.945
- 93.881 65.097 111.135 -83.244
- 93.493 96.277 136.326 -86.927
- 93.507 61.078 133.386 -84.060
- 93.291 20.240 137.377-102.213
- 105.132 166.811 140.725-126.131
- 96.466 64.608 145.322-137.958
- 139.147 -36.938 0.000 0.000
- 94.419 68.024 137.419-122.667
- 93.892 25.966 138.842 -89.639
- 122.267 -67.275 150.920-125.060
- 117.200-137.075 120.135 -78.697
- 109.606 -59.997 154.894-132.383
- 94.905 -6.779 141.675-122.756
- 105.687-102.935 149.639-139.029
- 105.976-103.905 150.340-138.086
- 119.921-159.275 121.001-128.849
- 94.828 50.068 116.629 -76.599
- 95.625 -95.490 137.484-104.146
- 92.368 152.902 116.132 -75.977
- 93.874 -43.862 129.651 -76.337
- 117.157 42.119 152.032-155.482
- 107.171 87.375 152.478 -27.126
- 91.664 -1.560 148.728-118.972
- 113.870-121.437 146.005 -83.075
- 127.128 -22.645 154.707-133.219
- 122.509 30.203 146.731 -83.073
- 93.692 44.104 138.026 -85.533
- 93.667 36.529 138.188 -96.644
- 91.887 50.870 149.463-120.771
- 90.886 37.455 142.194-134.331
- 95.293 72.254 149.673 -23.559
- 93.016 0.000 129.376 -76.230
- # 16 total E -1.29817E+02 rmsd from N 0.000 %NC 0.00
- 93.998 -45.667 133.628 -90.385
- 122.050-104.617 149.340 -95.807
- 93.957 31.299 111.295 -82.803
- 92.802 62.848 129.704 -76.468
- 106.724 159.929 145.315 -11.429
- 124.272 -85.383 144.995-177.273
- 93.950 31.865 126.877 -84.285
- 93.394 63.337 141.736 -89.878
- 91.465 -39.772 145.458-100.379
- 116.863-143.431 145.811 -10.615
- 127.004 -88.318 161.771-146.997
- 117.573 -70.022 121.889-131.140
- 100.484-107.734 145.900-140.428
- 92.278 69.664 150.671-122.684
- 92.274 45.089 143.264-134.259
- 93.658 56.888 132.182 -88.646
- 123.262-129.064 150.724 -79.918
- 93.354 128.152 135.897 -92.851
- 120.401-149.209 136.601 -71.827
- 97.587 -47.668 144.717-136.761
- 94.343 25.163 0.000 0.000
- 140.571-133.999 111.977 -90.807
- 123.324 -94.980 164.397-127.364
- 93.295 32.395 138.005-116.380
- 92.709 56.084 115.874 -76.256
- 93.653 -40.353 144.736 -39.610
- 120.833-100.160 147.088-119.772
- 127.974 166.667 113.543 -82.309
- 116.221-162.521 151.521 -19.211
- 93.674 50.369 99.882-114.272
- 94.717 152.768 116.567 -76.528
- 118.099 -90.682 153.082-102.135
- 96.082 43.352 116.409 -76.611
- 93.987 -93.278 129.617 -76.280
- 93.887 -16.125 110.920 -82.863
- 106.622-127.241 153.676-129.900
- 93.282 48.738 149.610-121.731
- 93.259 44.185 129.615 -76.216
- 94.224 38.845 138.168 -81.524
- 116.784 -16.133 146.165 -84.334
- 114.790 -88.095 146.751 -95.028
- 118.874-105.823 147.901 -79.330
- 109.869 -96.218 153.219-128.136
- 94.221 -29.284 111.665 -83.595
- 114.670 175.405 151.446 -20.772
- 125.624 0.000 148.087 -82.806
- # 17 total E -1.28261E+02 rmsd from N 0.000 %NC 0.00
- 123.909-153.846 148.845 -69.454
- 120.443 161.201 150.341 -60.401
- 98.412 -49.193 144.853-139.045
- 92.686 109.104 129.415 -76.088
- 140.818-126.816 106.923 -87.920
- 104.099 -46.735 138.644-161.450
- 92.937 -5.183 131.581 -87.358
- 117.618 178.844 165.314-109.058
- 106.524 154.240 151.330 -29.303
- 106.008 -46.056 141.538-148.714
- 93.153 132.602 146.483 -39.517
- 120.074 -18.532 121.224-128.713
- 94.828 72.202 149.493 -32.540
- 93.505 171.560 146.027 -40.652
- 118.404 91.352 153.196 -22.568
- 117.507-111.473 156.346-114.755
- 94.210 40.470 133.992 -89.403
- 93.538 54.549 137.517-102.527
- 93.723 110.049 143.587-106.094
- 93.423 63.574 145.208-137.603
- 111.969 13.276 0.000 0.000
- 139.093-139.652 110.440 -91.318
- 126.616 -77.191 164.825-135.737
- 94.170 53.731 136.948-105.854
- 89.853 47.064 116.430 -75.683
- 90.165 47.279 148.025-121.443
- 93.300 37.469 136.677 -86.194
- 95.427 53.249 150.121 -23.342
- 92.944 -89.977 143.116-122.817
- 120.069-146.762 120.973-128.618
- 115.174 128.510 147.551 -83.914
- 93.561 -37.447 135.349 -98.325
- 94.685-121.587 116.610 -75.750
- 115.833 -15.323 145.644 -84.149
- 91.920 74.551 149.917 -30.765
- 92.017 36.309 147.994-120.876
- 93.515 154.707 146.098 -37.398
- 113.125 55.354 145.653 -83.782
- 93.810 115.945 132.460 -89.351
- 93.815-112.679 129.396 -76.271
- 93.663 54.950 137.951 -85.774
- 93.839 48.594 136.936 -86.854
- 92.086 32.517 150.399-122.080
- 113.213 177.430 112.252 -84.052
- 122.108-155.635 112.855 -82.352
- 125.548 0.000 147.244 -82.725
- # 18 total E -1.24924E+02 rmsd from N 0.000 %NC 0.00
- 122.857-177.400 150.524 -89.356
- 93.809 34.905 137.684-103.284
- 118.436 -78.956 112.424 -83.651
- 119.079 115.667 146.740 -86.673
- 111.792 0.584 148.491 -7.119
- 121.375-112.886 146.264 -4.906
- 94.594 3.362 131.508 -87.392
- 95.537-149.833 140.361 -84.793
- 111.365 171.541 153.655 -24.786
- 99.710-134.584 140.728-146.956
- 115.746-113.981 156.518 -22.213
- 118.201 -81.129 121.850-130.162
- 93.778 163.911 143.761-135.836
- 106.786 103.074 153.646-127.202
- 129.068 -41.544 113.365 -84.655
- 94.644 98.102 134.307 -89.556
- 122.218-104.769 153.613 -97.236
- 94.786 152.753 138.068-105.298
- 122.988-113.844 141.736-121.205
- 93.236 57.739 144.239-130.508
- 93.776 170.936 0.000 0.000
- 126.666 168.123 157.393 179.614
- 119.542 174.209 165.207-115.924
- 94.758-118.241 137.346-102.888
- 90.718 112.986 116.105 -76.068
- 92.646 -74.572 147.617-116.846
- 94.476 120.465 138.779-101.334
- 112.505 168.888 111.881 -82.936
- 120.705-151.626 152.564 -18.175
- 93.143 80.958 99.848-111.956
- 90.625 45.575 116.565 -76.392
- 92.410 56.077 136.979-102.566
- 91.635 176.433 115.215 -75.883
- 92.677 69.352 129.455 -76.210
- 91.699 92.316 149.992 -30.728
- 92.727 5.277 145.291 -41.582
- 94.975-140.140 150.019-116.132
- 116.978 24.324 146.845 -83.243
- 93.881 101.943 132.716 -89.181
- 127.228-172.329 146.327 -82.355
- 93.322 84.223 138.380 -81.412
- 93.967 119.592 138.581-103.748
- 93.088 104.557 144.858-111.364
- 131.077 149.219 114.293 -85.082
- 115.603 -6.852 150.889 -21.248
- 93.044 0.000 129.410 -76.241
- # 19 total E -1.24782E+02 rmsd from N 0.000 %NC 0.00
- 93.595 53.781 137.550-103.435
- 123.251-156.795 149.412 -75.265
- 93.125 55.548 143.856-134.169
- 124.543 -74.339 146.605 -83.112
- 118.882 106.059 153.001-174.736
- 108.868 -15.152 146.455-170.489
- 93.834 68.103 131.823 -88.333
- 102.030-159.451 139.662 -84.648
- 106.257-163.840 151.234 -29.937
- 94.951 81.759 138.453-144.968
- 91.945 82.083 148.329-113.463
- 93.368 19.851 99.709-111.025
- 107.772-165.921 151.531 -25.960
- 117.342-163.796 156.391-135.730
- 113.080 168.958 152.638 -23.780
- 123.273-127.569 154.284-112.600
- 122.781-112.447 154.948-108.247
- 125.279-145.859 148.955 -88.673
- 105.569 29.322 143.387 -96.326
- 94.610 41.639 144.266-135.692
- 96.019 26.802 0.000 0.000
- 100.192 43.967 154.478 -6.087
- 92.210 37.069 141.115 -89.320
- 93.254 45.690 136.626-104.532
- 95.439-177.947 116.050 -76.670
- 111.948 -97.055 154.793-131.076
- 124.560-111.558 149.482-107.165
- 114.962 -62.763 152.206 -20.527
- 94.581-152.329 144.717-125.834
- 120.550-105.683 120.385-127.421
- 92.323 36.381 116.153 -76.328
- 93.793 161.679 136.970-112.497
- 95.393 52.392 116.824 -76.558
- 93.110 33.584 129.459 -76.205
- 94.146 40.513 112.274 -83.417
- 91.772 38.684 146.971-109.609
- 91.543 45.294 149.288-125.775
- 92.341 36.249 129.354 -76.143
- 93.426 83.169 130.169 -89.189
- 125.943-108.687 145.969 -84.529
- 93.581 79.297 139.500 -89.404
- 94.002 38.465 135.550 -78.172
- 93.469 46.852 148.799-119.381
- 97.127 -5.021 111.605 -83.409
- 120.846 16.497 152.580 -18.534
- 93.019 0.000 129.403 -76.226
- # 20 total E -1.24190E+02 rmsd from N 0.000 %NC 0.00
- 120.524 -30.631 151.735-102.134
- 95.028 -81.606 137.228-100.303
- 119.354 -92.189 111.868 -83.386
- 111.766 -5.167 145.659 -83.899
- 114.365 161.843 153.687-174.822
- 122.657-106.063 147.915 -2.437
- 95.068 19.311 132.152 -87.677
- 94.636 59.592 139.622 -86.793
- 92.586 11.248 147.936-112.325
- 118.329 16.844 146.256 -5.801
- 106.979-135.229 152.924 -29.666
- 93.444 147.472 100.774-113.046
- 135.383 -94.082 113.435 -85.384
- 112.820 -97.751 154.207-129.197
- 92.386 89.558 143.237-134.319
- 95.913 -80.203 132.792 -92.837
- 121.599 141.961 154.424-105.299
- 93.700 60.416 138.933-105.079
- 92.807 83.582 151.284-115.505
- 93.407 69.474 150.093 -31.436
- 93.770 125.771 0.000 0.000
- 117.984 39.018 158.097 175.411
- 90.496 44.441 139.877 -88.936
- 92.602 41.714 136.298-104.741
- 90.753 43.317 115.214 -76.008
- 91.224 56.680 149.160-121.680
- 92.968 44.364 139.836-106.033
- 92.235 158.747 109.233 -83.349
- 122.166 144.125 151.642 -22.620
- 95.180 4.221 98.942-110.617
- 96.663 83.495 116.691 -76.592
- 93.380 94.559 141.865-111.512
- 93.111 77.697 116.279 -76.302
- 92.905 -69.320 129.334 -76.124
- 93.934 -72.868 111.207 -83.125
- 93.267 97.383 146.764 -36.623
- 92.591 113.292 149.659-124.424
- 123.815-104.883 145.855 -82.576
- 122.472-133.581 154.231-106.255
- 126.896-166.020 147.534 -82.472
- 124.173-117.001 148.278 -90.509
- 93.518 69.651 138.193 -90.678
- 92.081 20.770 148.326-117.364
- 104.288-131.673 147.302-141.889
- 114.747 118.400 111.460 -82.521
- 93.124 0.000 129.508 -76.314
- # 21 total E -1.23763E+02 rmsd from N 0.000 %NC 0.00
- 93.560 49.517 136.834-100.753
- 94.788 -98.231 133.708 -93.292
- 91.572 30.108 143.351-132.986
- 116.666-109.790 145.834 -83.531
- 142.147 176.332 107.876 -86.923
- 132.608-178.479 105.992 -82.657
- 93.451 22.777 130.889 -86.091
- 124.729 152.490 162.573 -83.458
- 90.518 57.024 152.223-122.507
- 99.174 11.897 140.049-141.090
- 120.716 -86.336 159.171-138.624
- 124.208 102.568 120.316-124.946
- 102.675 154.929 148.408-144.678
- 121.540-136.651 156.879-137.685
- 94.229 16.343 143.396-134.757
- 120.700 -10.885 154.067-111.106
- 122.024 -96.388 154.096 -94.367
- 93.818 33.502 137.257 -92.975
- 115.218-176.284 146.239-153.674
- 109.315 -77.135 148.026-140.515
- 118.574 -91.755 0.000 0.000
- 128.635-132.270 159.500 169.456
- 118.634-103.527 166.132-132.617
- 97.044 -46.031 137.768-108.705
- 93.075 111.277 116.264 -76.238
- 92.844 7.804 148.856-119.703
- 96.185-117.186 141.517-126.918
- 94.723 118.877 109.612 -82.632
- 93.025 77.226 142.709-125.519
- 93.571 125.359 100.367-116.147
- 92.988 -53.059 116.127 -76.392
- 94.175 -40.584 137.513-103.453
- 95.585-159.158 116.809 -76.210
- 93.185 -13.216 129.512 -76.290
- 110.489 82.325 112.619 -83.688
- 92.201 168.797 150.109-121.593
- 107.777-111.285 150.854 -30.364
- 92.872 34.741 129.516 -76.221
- 95.697 145.181 132.255 -89.432
- 126.442-150.824 147.867 -83.659
- 121.004 -14.977 145.258 -85.259
- 119.536 -89.402 145.710 -89.757
- 93.407 50.621 145.357 -39.522
- 94.674 65.651 144.013-139.297
- 115.509 77.598 151.498 -20.760
- 93.036 0.000 129.581 -76.302
- # 22 total E -1.23421E+02 rmsd from N 0.000 %NC 0.00
- 123.134-121.242 151.417 -99.606
- 120.781 111.998 151.450 -74.606
- 93.932 51.761 144.359-136.645
- 92.809 21.471 129.671 -76.399
- 114.267-166.839 144.257 -10.566
- 116.730 140.856 148.225 179.722
- 93.009 -10.021 130.195 -90.687
- 115.386-154.657 166.535-122.561
- 115.517 -71.254 157.300 -20.812
- 95.769 66.137 140.522 -24.030
- 91.901 159.836 146.767-104.177
- 93.172 86.872 100.658-111.777
- 120.430 -51.294 112.233 -84.109
- 91.736 70.972 148.897-118.454
- 93.320 17.618 143.294-132.101
- 97.144-154.303 132.124 -86.416
- 115.501 -78.866 155.569-118.391
- 120.841-129.201 153.810-119.845
- 122.683-165.454 143.733-144.286
- 119.428 -39.711 112.421 -83.745
- 94.385 44.019 0.000 0.000
- 128.834-141.074 159.663 170.997
- 118.994 -94.860 165.157-112.567
- 93.000 47.520 137.089-105.265
- 91.664 51.649 115.795 -76.225
- 92.043 45.974 146.755-105.942
- 94.226 51.617 140.229-108.270
- 93.858-111.208 143.682-125.767
- 116.576-161.843 112.198 -82.285
- 119.656-116.159 121.495-129.694
- 93.061 98.917 116.386 -76.380
- 94.577 176.227 134.205 -98.463
- 92.941 44.574 116.301 -76.266
- 92.765 36.776 129.494 -76.227
- 92.642 72.438 149.983 -31.014
- 92.497 -19.650 144.731 -42.535
- 109.921 141.974 156.113-134.586
- 121.582 -22.999 146.843 -83.741
- 93.823 12.067 132.777 -89.330
- 121.596-117.358 146.605 -82.625
- 95.385 -91.581 139.030-102.755
- 93.359 70.000 139.492 -91.400
- 91.946 60.757 147.851-114.369
- 93.201 55.629 143.321-134.268
- 115.575 157.393 151.591 -20.331
- 125.114 0.000 147.334 -82.682
- # 23 total E -1.23237E+02 rmsd from N 0.000 %NC 0.00
- 122.605 -86.115 152.268-101.665
- 123.972 -98.829 150.622 -94.574
- 94.338 69.789 150.036 -30.732
- 92.626 48.234 129.633 -76.387
- 113.663-179.768 144.340 -9.592
- 110.006-149.232 143.812-170.868
- 127.699-134.016 155.177 -95.090
- 121.540-120.068 163.079-100.560
- 110.031 -0.764 152.397 -26.962
- 96.546 46.836 100.612 -78.358
- 109.364 155.949 151.727 -27.790
- 114.347 -43.230 122.867-133.983
- 92.070 148.392 149.888 -31.058
- 92.992 60.098 147.714-122.971
- 95.430 0.048 150.489 -31.168
- 116.973-107.293 154.367-105.734
- 121.523-156.049 153.492 -80.515
- 94.336-148.212 137.420-104.290
- 93.360 87.880 141.783-155.658
- 108.318 -49.178 151.767 -26.098
- 127.569-164.234 0.000 0.000
- 121.069-142.257 156.611-175.785
- 112.030 3.930 140.799 -88.618
- 93.766 51.826 139.789-110.472
- 93.209 33.899 116.020 -76.480
- 93.673 44.995 145.775 -39.210
- 93.959 67.201 139.858-108.070
- 125.739 138.197 112.841 -82.627
- 94.312 91.522 109.973 -83.346
- 121.404-112.765 120.971-127.845
- 93.080 55.480 116.421 -76.334
- 93.112 42.551 137.305-100.289
- 90.147 44.964 115.858 -76.255
- 91.886 42.023 129.358 -76.185
- 88.259 56.640 141.758-130.737
- 91.247 69.043 146.500-115.975
- 91.873 161.841 148.682-109.076
- 122.327 130.744 146.604 -82.703
- 115.005 -88.636 153.369-104.590
- 121.268 93.255 146.539 -83.132
- 94.207 -51.090 137.306 -92.832
- 94.200 -38.135 137.918 -94.148
- 93.604 -40.740 144.980 -37.193
- 92.476 -41.666 140.177-135.184
- 93.978 -29.673 109.739 -83.038
- 124.477 0.000 147.208 -83.517
- # 24 total E -1.22471E+02 rmsd from N 0.000 %NC 0.00
- 93.612 55.883 137.594-103.717
- 123.203-141.127 150.485 -84.402
- 94.446 45.375 150.181 -30.817
- 92.559 46.248 129.878 -76.636
- 94.184 48.946 141.676 -21.330
- 92.016 121.160 140.926-158.179
- 95.304-160.603 128.237-106.382
- 125.557 157.482 163.197-101.453
- 92.377 45.906 148.286-103.509
- 109.911 21.844 146.931 -11.923
- 105.850-124.861 150.642 -30.714
- 118.785 119.912 121.837-130.070
- 113.023 104.828 152.214 -24.417
- 93.517-133.987 148.820-118.127
- 94.208 76.256 143.852-136.048
- 95.663 -76.070 133.530 -92.665
- 95.274 -72.061 134.175 -88.297
- 95.210-104.505 140.118-104.883
- 114.040-149.929 143.313-133.282
- 95.630 65.071 111.493 -83.007
- 95.028 162.144 0.000 0.000
- 128.112-141.848 158.053 175.703
- 94.545 21.271 139.956 -88.619
- 94.203 156.671 139.161-107.874
- 115.046 178.343 120.058 -79.230
- 119.900-162.714 157.201-132.823
- 118.701-100.025 147.824-119.814
- 92.806 48.475 143.941-128.586
- 93.508 171.256 143.729-124.910
- 119.394 -97.290 122.144-130.733
- 94.425 56.697 116.582 -76.542
- 94.721 -97.791 139.094-104.511
- 93.094 11.581 116.331 -76.255
- 125.167 154.927 147.423 -82.269
- 94.181 171.801 143.791-130.418
- 119.761 -92.315 157.901-140.418
- 115.455-103.248 154.628-137.478
- 124.186 -4.048 146.529 -82.767
- 119.184-130.721 153.631 -91.981
- 93.093 76.432 129.466 -76.292
- 94.321 -24.116 136.801 -89.908
- 123.719 -80.853 149.091 -83.227
- 104.326-168.155 150.078 -32.442
- 118.697 -10.864 153.277 -22.085
- 95.391 23.585 109.191 -82.972
- 93.033 0.000 129.545 -76.302
- # 25 total E -1.22347E+02 rmsd from N 0.000 %NC 0.00
- 122.429 -77.683 152.546-104.793
- 125.088-153.332 148.033 -56.360
- 92.944 77.203 143.745-134.135
- 92.935 128.195 129.463 -76.098
- 93.574 53.724 142.253-143.720
- 93.823 25.998 142.337-163.116
- 94.458-139.311 130.344 -85.290
- 122.911 169.186 163.998 -99.713
- 90.969 69.159 147.976-110.220
- 114.383 20.352 98.387 -81.476
- 92.868 -72.624 147.455-118.182
- 119.732-112.439 121.107-128.653
- 93.890 54.704 144.663-139.107
- 91.285 107.393 148.734-118.790
- 137.274 -85.744 112.277 -86.335
- 118.044-161.373 152.840 -96.852
- 94.201 68.334 135.171 -87.924
- 93.933 128.372 137.692-102.670
- 107.435 177.191 142.659-126.288
- 95.088 61.612 144.683-136.905
- 94.529 31.102 0.000 0.000
- 119.311-127.401 153.335 -1.834
- 118.671-122.931 137.955 -82.077
- 92.898 52.570 134.432-125.799
- 93.691-125.554 115.988 -75.939
- 108.143 107.019 151.406-129.938
- 94.972 173.924 137.856 -93.787
- 116.320 70.746 152.851 -19.208
- 93.772 82.917 143.823-124.650
- 94.453 -73.444 99.675-113.519
- 94.738 -73.765 116.532 -76.505
- 95.524 179.812 141.562-108.997
- 116.166 129.280 120.056 -78.934
- 126.829-115.353 146.670 -80.690
- 93.541 55.481 142.881-132.462
- 93.137 99.939 152.240-124.306
- 91.979 -62.958 148.513-112.678
- 93.146 99.115 129.536 -76.237
- 95.304 -22.281 131.297 -93.240
- 122.483-179.771 146.760 -82.822
- 126.494 164.673 155.818-131.663
- 94.186 71.554 137.128 -88.694
- 107.854 162.492 153.738-129.436
- 127.276 165.237 113.261 -84.512
- 93.403 52.522 143.629-125.479
- 92.993 0.000 129.488 -76.264
- # 26 total E -1.22338E+02 rmsd from N 0.000 %NC 0.00
- 121.045 146.935 150.824 -88.389
- 121.698 139.246 152.065 -93.313
- 115.218 17.125 112.907 -83.564
- 124.688 170.968 147.456 -81.869
- 120.062-161.694 151.404-172.667
- 122.428-159.028 149.517 0.128
- 94.626 46.842 132.211 -87.213
- 92.515 66.214 141.221 -86.370
- 93.075-146.004 146.825 -38.678
- 96.512 87.161 140.704-144.400
- 92.004 61.974 147.554-101.192
- 121.782 148.858 120.337-126.639
- 102.488-153.622 146.623-142.819
- 93.218 62.330 146.562 -38.174
- 93.771 64.041 111.359 -83.134
- 95.712-171.816 134.848 -91.784
- 94.083 63.252 134.048 -89.538
- 93.207 48.700 137.620-102.364
- 92.566 42.427 131.784 -47.728
- 95.050 129.088 143.984-140.096
- 112.697 12.320 0.000 0.000
- 125.515-174.908 158.664 173.145
- 120.450-167.903 165.069-113.941
- 124.569-127.386 150.790-101.437
- 92.124 75.199 116.205 -76.175
- 92.086 -15.332 148.149-116.424
- 118.662-125.791 148.234-111.231
- 116.934-131.808 153.368 -18.613
- 95.877 54.920 110.689 -82.557
- 93.946 62.896 100.652-110.484
- 94.541-144.243 116.802 -76.577
- 121.823-115.743 150.248 -97.185
- 94.881 21.350 116.541 -76.442
- 93.322 60.343 129.493 -76.262
- 111.789 -11.577 151.084 -21.311
- 93.432 60.664 149.055-128.044
- 91.881 8.368 148.631-119.376
- 120.901 104.491 146.051 -82.953
- 124.261-146.487 154.153-105.204
- 93.039 40.520 129.485 -76.253
- 94.098 166.430 138.021 -92.352
- 127.730 -95.781 152.556-112.321
- 109.966 -73.585 152.851-129.882
- 96.223 -77.580 144.813-136.796
- 120.155-142.946 152.395 -18.549
- 93.419 0.000 129.538 -76.177
- # 27 total E -1.22081E+02 rmsd from N 0.000 %NC 0.00
- 123.077 -90.754 151.098 -80.569
- 123.996-114.457 148.998 -85.483
- 92.779 45.875 143.693-133.858
- 92.863 55.951 129.529 -76.285
- 122.778-171.494 156.018 175.809
- 111.479 9.513 150.799-171.737
- 95.955-179.134 131.487 -83.071
- 97.617 -93.183 141.001 -83.803
- 114.873-129.870 157.923-137.032
- 94.344 55.964 140.907-142.831
- 91.799 37.441 149.019-111.942
- 120.043 134.458 120.825-128.395
- 92.555 48.768 142.780-137.057
- 92.392 75.217 148.496-117.827
- 92.393 121.477 142.196-131.901
- 121.660 105.752 150.717-101.951
- 116.150 97.563 154.379-102.723
- 113.521 -41.604 152.041 -83.344
- 102.376 -78.298 140.598-116.170
- 94.802 121.282 111.602 -82.569
- 129.420 -65.826 0.000 0.000
- 125.914-106.997 157.899 170.933
- 121.357 -12.552 164.727-120.660
- 93.655 52.343 137.420-122.062
- 92.586 166.732 115.665 -76.389
- 116.832-103.018 157.125 -19.923
- 95.827 -55.487 138.839-106.956
- 94.362 95.388 110.062 -83.542
- 92.203-144.757 143.010-123.325
- 121.785-179.203 121.147-127.897
- 108.437-162.514 118.751 -78.338
- 124.943-163.713 151.558 -92.692
- 117.981-158.397 146.315 -77.211
- 110.619 34.028 145.250 -83.274
- 90.519 47.615 110.871 -82.753
- 90.297 50.106 148.542-123.808
- 90.123 41.667 145.537-107.621
- 92.484 39.180 129.396 -76.158
- 95.100 151.512 130.944 -86.051
- 93.798-165.509 129.591 -76.317
- 116.128 -45.186 142.906 -94.851
- 93.963 115.262 138.859 -99.014
- 107.402-118.310 151.219 -29.489
- 95.152 -1.198 150.291 -31.428
- 117.891-116.341 151.817 -19.845
- 125.383 0.000 146.959 -82.390
- # 28 total E -1.21360E+02 rmsd from N 0.000 %NC 0.00
- 121.353 145.156 150.345 -73.445
- 94.194 146.328 138.955-109.841
- 109.754-141.092 147.923-142.478
- 124.370 17.711 147.600 -84.339
- 112.742 -34.233 146.246 -8.982
- 94.190 106.542 142.236-156.140
- 94.701 140.559 130.766 -93.619
- 121.076-153.888 164.043-103.449
- 92.809 43.694 149.182-114.037
- 95.282 130.057 139.881-143.974
- 93.212 142.053 146.129 -38.620
- 118.929 -89.041 121.101-129.302
- 92.478 117.817 143.436-134.796
- 108.576-159.483 151.420 -28.490
- 95.628 67.622 111.409 -83.194
- 96.089 -92.319 132.571 -91.035
- 95.559 -66.076 135.686 -84.412
- 94.237 -95.005 137.935-102.553
- 103.686 6.411 143.931-129.381
- 95.987 95.972 111.425 -82.981
- 131.490-101.765 0.000 0.000
- 117.190 154.463 155.013 -2.166
- 123.535-143.408 163.853-128.853
- 93.865 -53.870 137.739-107.573
- 108.916 -90.617 142.051 -78.803
- 104.878-162.514 153.716-128.830
- 129.298 130.218 146.508-139.248
- 92.261 -2.788 143.493-126.633
- 106.421 171.208 110.915 -82.721
- 96.075 -95.201 99.643-111.658
- 92.019 96.914 116.193 -76.293
- 94.273 -82.257 135.623-102.141
- 109.522 -76.927 119.207 -77.604
- 124.574-106.979 147.017 -83.762
- 94.708 34.693 150.431 -31.854
- 91.064 50.817 149.352-121.704
- 91.287 43.477 144.439 -41.206
- 92.199 45.315 129.315 -76.111
- 93.341 94.147 130.597 -89.652
- 93.068 -66.995 129.518 -76.349
- 94.959 -51.051 137.681 -94.099
- 94.389 159.333 138.740-101.224
- 110.359-170.824 152.478 -26.774
- 119.483 111.446 112.601 -83.991
- 115.199 112.095 151.653 -20.106
- 93.111 0.000 129.556 -76.352
- # 29 total E -1.21200E+02 rmsd from N 0.000 %NC 0.00
- 93.618 110.193 135.776 -91.671
- 94.073 54.239 137.277-102.141
- 97.532 -14.120 150.344 -29.928
- 120.275 57.895 146.560 -84.534
- 109.504 22.551 148.108-170.853
- 117.037 79.517 103.956 -82.359
- 92.561 4.120 129.612 -86.963
- 119.203-125.910 164.729-108.518
- 91.609 49.774 151.086-113.646
- 99.667 168.850 143.423 -16.010
- 119.871 -24.785 156.633-143.674
- 119.464 -4.880 121.453-129.384
- 94.685 -63.513 111.091 -82.941
- 94.065 157.767 149.569-120.107
- 94.702 44.604 110.858 -82.928
- 118.161-139.576 152.252-110.865
- 120.860-161.288 153.099 -75.680
- 119.226 153.659 152.573-124.941
- 120.194-119.833 143.357-143.826
- 94.918 48.079 111.369 -82.968
- 94.066 45.145 0.000 0.000
- 93.085 42.614 136.961-125.561
- 90.969 41.418 141.032 -93.991
- 91.910 42.411 135.741-101.210
- 88.693 57.134 115.007 -75.997
- 91.225 41.249 144.009 -42.665
- 92.974 53.329 138.271 -80.263
- 93.218 59.805 109.459 -83.497
- 116.122-124.986 151.858 -20.110
- 120.674 113.972 121.394-128.847
- 96.211 -93.369 116.699 -76.735
- 94.172 -36.606 137.684-103.855
- 113.944 148.329 146.094 -79.590
- 125.728 48.750 147.221 -82.539
- 96.745 -10.348 149.759 -31.203
- 111.777-104.817 153.063-118.803
- 107.246-166.428 153.794-133.086
- 112.517 19.636 145.547 -85.033
- 94.289 132.658 132.940 -90.585
- 93.570 -68.255 129.604 -76.246
- 94.310 45.632 136.288 -79.657
- 123.452 175.836 142.224 -70.904
- 111.483-160.779 152.668 -25.095
- 92.879 59.103 143.203-134.234
- 93.080 123.859 142.731-124.274
- 124.428 0.000 146.782 -83.287
- # 30 total E -1.21168E+02 rmsd from N 0.000 %NC 0.00
- 93.616 65.311 137.916-102.739
- 93.677 59.203 137.566-103.038
- 95.610 98.939 150.248 -30.450
- 124.713 156.939 146.873 -81.418
- 94.649 31.963 141.498-148.100
- 95.235 65.474 141.279-159.239
- 116.004 -18.106 153.908-104.118
- 92.786 58.552 141.745 -84.543
- 92.059 32.650 147.293 -39.017
- 102.128 -88.254 145.188 -17.690
- 108.318 131.339 153.713-126.928
- 118.602-160.089 121.308-129.540
- 121.845 113.973 112.575 -84.073
- 92.077 105.602 148.730-119.344
- 109.396-155.960 148.409-143.428
- 115.113 118.778 154.608-109.119
- 122.313 -92.696 154.008-103.799
- 123.831 -97.111 150.521 -97.046
- 93.616 99.430 142.304-124.372
- 96.079 67.904 110.970 -83.137
- 133.180 -71.351 0.000 0.000
- 124.411 -90.746 152.716 -0.976
- 92.635 38.992 139.551 -87.311
- 93.496 48.997 139.303-110.973
- 92.113 -4.933 115.499 -76.181
- 117.930-179.148 154.950-128.033
- 123.208-175.197 154.756 -72.504
- 116.914 -85.106 152.163 -19.943
- 115.259 51.515 151.961 -19.166
- 119.258 146.502 121.550-129.895
- 95.407 -32.446 116.327 -76.722
- 95.830-114.014 137.062-103.961
- 91.505 47.284 116.091 -76.138
- 92.623 54.369 129.479 -76.217
- 92.254 115.168 149.590 -31.663
- 92.457 81.421 147.501-117.089
- 93.580 -88.415 146.208 -37.056
- 126.974 -98.172 148.516 -82.771
- 94.083 83.168 131.725 -91.191
- 93.740-161.508 129.568 -76.308
- 94.283 122.168 138.900 -99.384
- 93.877 52.318 137.895 -88.761
- 91.527 54.319 148.957-115.945
- 91.598 39.740 143.223-132.968
- 93.677 92.918 109.173 -83.066
- 123.901 0.000 146.525 -84.056
- # 31 total E -1.20761E+02 rmsd from N 0.000 %NC 0.00
- 93.613 62.557 137.721-103.592
- 117.982 109.204 152.435 -79.659
- 93.741 30.745 144.026-134.610
- 117.744 138.554 146.349 -82.942
- 138.949 0.651 110.734 -88.907
- 123.429-139.696 145.992 -4.416
- 97.363 -97.188 132.863 -86.005
- 124.189-170.272 162.248 -89.979
- 108.453-178.808 154.899-115.330
- 103.957 15.404 143.657-148.057
- 94.108-101.342 148.569-111.965
- 118.481 -99.391 121.833-130.528
- 94.726 -39.796 144.576-136.567
- 112.385 -19.842 155.001-127.363
- 117.306 -92.248 152.891 -22.438
- 94.290 93.234 134.886 -89.793
- 120.228 9.001 152.944 -91.698
- 93.868 59.257 136.013 -99.430
- 115.262-101.621 143.445-133.966
- 110.262-129.945 152.063 -24.869
- 118.538 161.250 0.000 0.000
- 91.119 24.781 131.659 -38.491
- 120.797-145.833 164.049-109.513
- 93.431 101.647 137.003-107.206
- 119.618-154.795 120.258 -79.650
- 108.588 134.760 151.609 -27.398
- 112.105 141.593 146.957-116.205
- 119.782-149.365 152.227 -20.523
- 112.960 148.651 151.492 -20.118
- 94.434 -80.588 99.307-112.773
- 91.230 92.421 116.051 -76.215
- 95.278-131.439 136.105 -97.698
- 121.520 -90.204 120.734 -79.442
- 92.583 49.131 129.420 -76.179
- 90.541 39.514 110.726 -82.837
- 90.771 48.326 145.141 -40.819
- 90.704 41.297 143.834 -41.460
- 92.426 37.926 129.356 -76.173
- 93.981 38.218 129.780 -89.552
- 93.381 141.760 129.363 -76.275
- 125.128-134.302 149.481 -84.628
- 93.481 57.326 137.449 -91.465
- 91.913 47.429 147.118-116.157
- 92.273 47.623 143.984-134.506
- 95.269 77.023 149.720 -23.571
- 93.015 0.000 129.413 -76.243
- # 32 total E -1.20491E+02 rmsd from N 0.000 %NC 0.00
- 123.280-125.545 151.341-101.146
- 123.785-175.189 150.813-107.517
- 116.656 -9.611 152.817 -21.258
- 93.291 138.565 129.600 -76.283
- 114.471 -19.487 148.386-170.312
- 114.729 -40.135 147.411-175.268
- 95.940-171.375 131.692 -90.046
- 120.993 15.037 165.267-116.870
- 93.217 147.511 149.061-117.642
- 133.833-106.442 103.835 -82.487
- 108.463-172.271 151.765-118.789
- 120.500 135.805 121.545-128.513
- 102.440 -68.525 146.375-141.502
- 92.470 28.384 148.843-118.297
- 117.474-178.637 112.495 -84.083
- 97.745-164.111 136.631 -86.814
- 93.480 68.881 133.402 -88.959
- 93.330 18.158 135.796-100.601
- 107.998-151.665 145.573-125.798
- 94.607 71.473 144.264-135.206
- 126.673-150.511 0.000 0.000
- 127.111-105.603 157.698 173.188
- 116.848 39.500 165.735-126.966
- 92.741 36.242 136.973-104.589
- 91.125 50.139 115.546 -76.153
- 92.814 25.829 144.568 -41.888
- 116.544 165.711 146.167-110.135
- 121.208-161.435 112.987 -82.524
- 120.703 -88.213 112.737 -82.311
- 119.205-104.178 121.568-129.917
- 118.996 -86.174 120.562 -79.210
- 93.204 53.758 137.410-102.262
- 91.007 45.776 115.912 -76.111
- 92.312 51.173 129.315 -76.170
- 91.485 41.319 143.014-131.812
- 93.604 163.325 146.594 -37.463
- 92.396 131.777 148.950-119.917
- 93.365 169.700 129.370 -76.208
- 119.487 84.029 154.112-124.377
- 93.212 37.516 129.510 -76.252
- 95.310 -90.566 137.199 -88.095
- 117.833-101.170 146.964 -87.192
- 92.373 53.929 149.469-119.581
- 92.968 40.153 143.525-135.045
- 94.073 104.771 109.122 -83.249
- 124.375 0.000 146.977 -84.157
- # 33 total E -1.19197E+02 rmsd from N 0.000 %NC 0.00
- 93.791 127.756 136.982 -98.593
- 119.737 134.932 151.981 -98.271
- 113.076-101.199 152.271 -23.528
- 93.011 29.885 129.848 -76.582
- 95.985 78.946 143.300 -18.102
- 107.408 134.126 141.907-162.831
- 94.538 41.891 132.393 -85.962
- 104.669-106.851 139.422 -84.241
- 91.221 108.003 145.278 -41.935
- 114.745 42.188 150.675 -10.766
- 93.416 138.227 145.345 -37.786
- 93.866-110.150 100.775-115.045
- 106.667-117.669 147.330-147.718
- 114.584 3.578 155.668-130.394
- 96.216 52.914 144.419-137.076
- 94.549 17.001 133.615 -91.810
- 118.725 -3.608 153.817 -90.475
- 123.783-125.269 151.044-116.802
- 93.974 109.023 139.751-109.015
- 129.028-104.124 114.335 -85.671
- 97.946 125.270 0.000 0.000
- 125.557 136.315 158.505 172.417
- 98.887 -91.878 139.105 -84.365
- 93.823 17.325 138.962-122.425
- 105.221-138.777 118.316 -77.568
- 120.342 110.569 155.676-131.231
- 95.070 -88.327 138.524-101.273
- 107.558 -4.290 151.704 -20.559
- 92.892-170.267 143.839-124.428
- 120.765 -1.501 121.562-129.032
- 94.404 -54.925 116.318 -76.632
- 94.051 -5.091 137.580-103.691
- 111.352 -81.710 119.156 -78.157
- 124.374 -73.284 147.386 -81.973
- 93.567 1.057 143.201-132.859
- 116.655 149.086 156.204-131.939
- 92.043 4.118 151.362-123.291
- 113.437 78.904 146.164 -83.335
- 95.948 -62.156 132.829 -90.443
- 125.317-110.659 147.512 -82.638
- 121.313 144.186 153.302 -70.024
- 93.666 100.896 138.545 -90.140
- 116.033-179.369 155.186-128.294
- 115.113 146.507 112.552 -84.080
- 127.497 -15.642 113.229 -82.730
- 93.079 0.000 129.397 -76.255
- # 34 total E -1.18455E+02 rmsd from N 0.000 %NC 0.00
- 122.877 -96.868 151.837 -98.470
- 124.776-125.419 148.786 -78.407
- 92.857 91.215 143.803-134.122
- 122.363-102.642 145.814 -83.244
- 101.720 152.560 141.127-145.194
- 117.797-115.211 148.381-172.782
- 93.417 53.704 137.007 -83.974
- 92.174 85.248 139.645 -84.291
- 92.031 -63.807 147.399-115.274
- 91.632 111.203 140.133-139.475
- 91.660 -46.386 145.995-114.839
- 119.475 167.545 121.137-128.897
- 119.436 118.741 151.887 -18.867
- 92.387 33.358 149.717-127.920
- 103.513-152.341 146.892-142.408
- 125.773 130.873 152.853 -82.296
- 118.218 92.201 154.329-101.912
- 93.844 -29.443 135.067 -88.305
- 112.816-100.712 139.822-124.919
- 93.107 137.118 144.047-134.191
- 95.514 54.738 0.000 0.000
- 122.769 -79.840 156.496 176.734
- 121.947-172.260 164.861-120.739
- 121.611 58.828 150.946-105.889
- 94.347 -33.333 116.522 -76.448
- 111.580-129.638 153.006 -25.621
- 124.753-100.212 150.804-134.772
- 94.414 106.879 109.829 -83.472
- 114.523 -38.881 153.146 -19.718
- 97.833 -77.608 100.159-110.778
- 99.155 19.059 117.099 -77.034
- 96.719-175.564 138.724-105.289
- 94.854 36.922 116.071 -76.493
- 93.157 48.074 129.445 -76.248
- 93.909 60.961 143.679-134.769
- 92.877 -38.887 149.360-126.656
- 116.723-164.016 156.887-133.842
- 92.880 47.523 129.582 -76.279
- 94.256 110.645 132.351 -89.337
- 93.962-120.761 129.388 -76.242
- 93.523 59.822 137.638 -84.660
- 93.322 59.077 137.089 -87.047
- 91.333 69.453 147.983-117.275
- 93.105 66.233 143.678-136.266
- 117.420 164.171 151.914 -18.860
- 125.204 0.000 147.364 -82.724
- # 35 total E -1.17027E+02 rmsd from N 0.000 %NC 0.00
- 119.668 14.210 151.365 -81.352
- 93.844 39.354 138.178-106.782
- 94.005 52.323 144.319-135.285
- 92.904 10.081 129.597 -76.298
- 115.710-171.940 147.943 -7.394
- 96.904 56.909 141.459-160.710
- 95.420-155.844 133.225 -86.139
- 122.017-172.546 166.215-118.166
- 91.694 -68.570 144.774-101.741
- 90.993-149.457 138.165-125.326
- 90.434 68.859 148.870-110.090
- 94.047 12.077 98.828-111.417
- 102.119-151.234 146.209-140.227
- 114.714-130.447 155.001-139.636
- 95.261 54.151 143.706-137.172
- 96.496 -85.463 134.300 -96.021
- 95.701 -38.380 131.596 -91.140
- 93.650 125.520 137.911 -96.997
- 117.197 37.408 140.923-144.682
- 94.750 19.458 143.953-134.310
- 113.122-133.848 0.000 0.000
- 120.311-138.366 154.063 -1.537
- 119.118 25.076 165.336-137.754
- 93.332 54.404 136.987-104.780
- 94.036 93.626 116.351 -76.428
- 92.781 -93.066 151.045-127.752
- 94.913 1.134 139.029-104.500
- 119.933 -83.865 152.716 -19.542
- 95.634 -94.010 145.473-127.184
- 119.074-122.395 121.391-129.897
- 93.236 -57.822 115.951 -76.131
- 94.111 -78.604 142.169-111.297
- 126.033-127.788 122.788 -80.477
- 111.292 40.077 146.291 -83.803
- 89.640 43.195 142.458-129.271
- 90.630 54.763 148.040-117.704
- 91.165 24.560 142.724-102.044
- 120.810 12.469 146.577 -82.719
- 125.226 -2.610 154.011-105.504
- 128.870 175.256 147.868 -82.682
- 121.756-171.476 148.623-114.421
- 122.818 -15.535 147.843 -78.894
- 92.751 51.373 148.788-118.839
- 122.675-166.889 112.931 -84.791
- 124.842-137.619 113.064 -82.207
- 125.323 0.000 147.149 -82.385
- # 36 total E -1.16904E+02 rmsd from N 0.000 %NC 0.00
- 93.608 55.314 137.701-103.598
- 93.830 65.644 137.712-103.173
- 127.609-147.345 113.128 -83.705
- 118.908 84.550 146.841 -85.471
- 112.105 -1.815 146.599 -8.689
- 123.579 154.445 145.097 -5.683
- 115.576 -18.723 153.970-104.351
- 93.327 122.662 140.552 -85.743
- 109.480-125.325 152.547 -27.613
- 96.526 101.371 141.374-144.488
- 93.051 -61.543 149.444-104.668
- 119.346 -90.859 120.997-128.899
- 96.133 -74.308 144.787-138.463
- 92.508 41.094 149.225-117.360
- 117.716 -86.849 112.498 -84.086
- 96.271 -81.684 132.790 -95.144
- 96.320-151.914 135.138 -93.225
- 93.901 48.291 137.663-103.547
- 93.608 30.950 140.391-111.318
- 107.712-167.074 148.903-145.797
- 129.076 -76.650 0.000 0.000
- 120.357 -13.581 157.523 177.558
- 120.199 -20.983 165.402-129.723
- 94.799 -88.707 136.919-104.580
- 91.839 107.403 116.201 -76.181
- 108.047 -92.378 151.577 -28.486
- 94.892 156.803 138.792-102.186
- 117.073-165.708 152.006 -20.314
- 116.679 90.240 112.392 -82.502
- 93.227 86.816 99.754-114.766
- 93.185 17.312 116.208 -76.268
- 119.790-114.513 151.616-135.916
- 96.624 25.192 116.682 -76.509
- 94.233-125.566 129.694 -76.337
- 96.633 37.069 150.531 -32.787
- 93.941 176.448 150.142-121.650
- 93.281 56.769 147.482-112.855
- 93.290 30.304 129.348 -76.173
- 95.179 116.030 135.108-101.629
- 93.601 -67.881 129.488 -76.354
- 94.561 -37.951 137.173 -89.186
- 117.640 151.317 152.252 -96.404
- 91.697 66.466 149.255-122.344
- 92.606 34.361 141.212-134.034
- 96.023 113.723 149.633 -23.747
- 124.487 0.000 146.878 -83.950
- # 37 total E -1.16668E+02 rmsd from N 0.000 %NC 0.00
- 120.509 146.287 151.822-107.727
- 93.948 13.542 137.700-103.332
- 103.129-152.120 147.087-141.358
- 126.803 178.471 147.308 -82.738
- 135.446 -91.902 108.262 -87.107
- 96.976 67.327 142.198-168.112
- 94.203 97.242 136.667 -87.770
- 121.665-150.108 164.100-108.579
- 94.306 49.689 146.582 -38.798
- 92.341 129.737 140.192-142.782
- 114.701-169.894 154.652 -25.385
- 120.452 -2.109 121.434-128.723
- 99.808 63.263 111.147 -82.415
- 91.857 53.711 147.613-117.073
- 95.272 125.910 150.821 -32.777
- 121.320-116.928 153.304-105.972
- 116.151 101.115 154.520-102.861
- 93.599 3.300 135.917 -96.397
- 112.316-114.182 135.179-103.876
- 94.510 2.330 150.190 -31.291
- 116.583-120.051 0.000 0.000
- 139.486 102.436 109.133 -88.899
- 93.816 78.499 139.747 -88.846
- 94.591 -58.705 137.790-110.782
- 111.167 157.990 143.759 -78.693
- 114.208 -60.791 155.144 -22.436
- 125.158 8.244 145.828-104.104
- 123.451-122.948 112.229 -82.287
- 110.596 171.962 152.736-143.213
- 95.048-145.978 99.629-111.259
- 112.166 -3.804 119.384 -78.413
- 93.589 75.313 136.815-102.403
- 92.372 -23.260 115.725 -75.992
- 124.906-109.755 146.460 -80.551
- 92.840 -17.530 143.455-132.642
- 116.605 31.590 158.163-140.722
- 118.560-170.803 158.956-135.196
- 126.665-152.551 147.627 -82.385
- 115.487 14.395 153.885-125.642
- 93.238-174.868 129.506 -76.253
- 126.099 162.539 148.002 -97.139
- 93.695 57.949 137.919 -89.172
- 93.352 20.366 145.390 -39.657
- 112.686-164.448 152.607 -24.649
- 93.007 78.373 143.431-125.574
- 93.022 0.000 129.424 -76.221
- # 38 total E -1.16563E+02 rmsd from N 0.000 %NC 0.00
- 123.319-121.226 150.916 -93.095
- 94.373 139.094 137.265 -99.631
- 129.644 84.397 113.306 -84.187
- 93.131 -46.102 129.610 -76.148
- 117.375 124.519 150.133-169.336
- 97.944 -55.905 124.749 -32.770
- 93.219 79.908 130.472 -89.731
- 96.770-153.025 138.104 -84.723
- 105.277 150.703 154.166-117.228
- 95.752 41.340 140.041-139.908
- 92.518 159.568 148.049-116.504
- 93.494 63.992 100.790-111.399
- 92.584 56.387 143.593-135.715
- 92.053-167.817 149.196-122.076
- 113.341-115.868 150.518-151.243
- 120.925 95.903 155.293-106.899
- 94.236 46.413 133.723 -88.950
- 94.922 -92.191 137.642-103.277
- 93.618 138.892 127.048 -17.309
- 117.264 8.497 112.317 -83.404
- 95.128 164.918 0.000 0.000
- 120.226-167.804 154.592 -1.577
- 92.788 50.449 137.628 -93.286
- 93.887-125.121 135.903-103.442
- 120.682-133.105 149.121 -75.983
- 110.590 -87.772 152.971 -26.476
- 111.578 1.808 147.365 -74.432
- 93.603 84.748 110.025 -83.696
- 92.902 83.418 143.500-124.424
- 93.343 78.422 99.719-112.791
- 92.471 110.171 116.272 -76.322
- 121.588 173.910 148.862-111.406
- 94.839 34.937 116.618 -76.388
- 93.126 49.428 129.493 -76.218
- 93.649 30.946 144.381-138.082
- 93.174 156.211 151.188-129.751
- 114.199-139.372 154.484 -23.577
- 124.600 -68.429 147.653 -82.430
- 118.778 131.411 155.266-121.543
- 118.441 -12.529 145.653 -83.046
- 94.233 -44.306 137.419 -91.284
- 94.452 -26.747 138.836 -98.183
- 107.245-115.825 154.500-133.494
- 96.741 -17.110 150.955 -31.291
- 95.409 39.850 144.304-126.420
- 122.978 0.000 147.083 -82.585
- # 39 total E -1.16477E+02 rmsd from N 0.000 %NC 0.00
- 94.802-103.986 136.756-101.569
- 117.349 178.866 152.276 -97.714
- 139.018 179.554 114.219 -84.826
- 92.685 31.655 129.778 -76.509
- 95.372 75.292 141.825 -20.152
- 119.147 164.509 151.404 179.327
- 95.210 -36.951 137.214 -75.056
- 95.228 -3.172 141.054 -84.374
- 123.270 -47.992 160.656-138.976
- 125.515-159.226 153.030-167.848
- 106.119-101.784 148.617-104.793
- 114.693 -21.288 122.517-133.389
- 92.289-112.479 111.822 -82.726
- 93.956 56.240 147.012 -38.616
- 95.168 78.485 144.242-136.586
- 97.033-129.571 135.070 -82.949
- 95.589 -72.145 133.872 -88.539
- 120.035-112.326 154.316 -72.877
- 107.546 -41.725 138.834-143.508
- 93.308 100.211 143.884-134.086
- 133.316 -69.814 0.000 0.000
- 124.457 160.509 158.528 177.877
- 92.230 55.446 141.526 -89.085
- 93.545 -5.502 136.931-105.318
- 115.823-166.290 145.865 -72.700
- 106.477 123.268 152.802-125.095
- 94.129 66.719 141.194-125.284
- 91.875 88.069 142.903-124.380
- 92.841-168.580 143.781-121.767
- 93.176 97.686 99.915-114.478
- 92.261 7.678 115.993 -76.031
- 120.465-121.422 150.111-100.929
- 113.734-109.549 119.558 -78.367
- 92.850 43.286 129.549 -76.275
- 93.957 49.685 110.977 -82.928
- 94.044 169.169 146.108 -38.238
- 104.730-176.569 149.861 -31.053
- 126.693 -91.172 147.883 -83.237
- 116.665-130.943 154.615-107.244
- 127.912-141.505 148.124 -83.217
- 94.994 -65.735 138.520-101.237
- 119.635 -33.161 149.658 -89.605
- 92.454 81.814 149.356-122.180
- 93.768 42.706 111.509 -83.368
- 92.551 99.763 143.114-122.180
- 123.999 0.000 147.149 -83.534
- # 40 total E -1.16002E+02 rmsd from N 0.000 %NC 0.00
- 93.790 119.524 137.817-103.460
- 118.415 -11.438 151.837 -85.472
- 94.788 171.451 144.511-135.355
- 125.666-139.206 147.065 -82.771
- 113.739 100.864 149.778-171.157
- 93.015 45.346 141.253-151.953
- 94.029 41.617 129.359 -88.858
- 93.481 88.114 141.035 -84.983
- 92.800 -63.457 149.869-121.526
- 95.034 131.897 141.860 -19.117
- 93.876 -72.785 147.350-119.582
- 93.382 84.986 100.194-112.302
- 94.758 54.646 149.926 -35.823
- 92.486 62.617 149.357-120.387
- 109.281 154.965 112.029 -83.844
- 122.445 110.365 155.357-110.804
- 93.840 23.260 133.611 -89.276
- 93.998-171.526 137.586-102.668
- 122.537-163.217 142.945 -80.088
- 103.831 -24.307 151.277 -27.912
- 94.943 149.310 0.000 0.000
- 123.500 66.294 158.041 172.111
- 85.047 177.628 138.406 -86.914
- 124.775 -83.976 150.985-123.060
- 91.872 58.921 116.049 -76.146
- 92.689 37.811 147.716-115.480
- 94.360 59.348 139.208 -99.699
- 93.701-104.465 143.618-126.476
- 117.597-170.504 152.475 -18.813
- 121.618 -2.976 120.957-127.703
- 93.210 61.686 116.380 -76.509
- 93.328 42.617 138.291-106.639
- 92.561 127.529 116.000 -76.124
- 125.370-105.454 147.110 -83.034
- 92.603 42.102 143.504-133.992
- 93.123 54.075 146.403 -37.915
- 91.746 68.901 148.499-113.725
- 118.451 -62.308 145.848 -83.002
- 95.481 149.151 133.627 -88.804
- 127.720-108.504 146.831 -83.503
- 93.239 56.024 135.979 -78.600
- 93.792 83.397 138.200 -94.212
- 91.308 54.928 147.084-110.240
- 92.096 36.813 143.202-134.293
- 93.210 91.156 143.426-124.752
- 123.880 0.000 146.739 -83.833
- # 41 total E -1.15703E+02 rmsd from N 0.000 %NC 0.00
- 93.574 44.036 137.053-102.380
- 94.035 -31.586 135.347 -97.404
- 98.527-146.716 150.309 -29.866
- 120.728 32.850 147.277 -84.632
- 116.974 151.665 145.454 -8.534
- 131.605 26.338 104.775 -83.563
- 95.468 -62.434 130.626-104.446
- 94.877 -5.985 138.821 -82.530
- 110.920-102.429 150.742-116.019
- 91.041 120.819 139.517-134.485
- 93.773 51.924 146.142-108.670
- 117.374 69.860 122.804-132.614
- 94.977 81.725 144.121-134.749
- 92.905 137.295 150.248-114.512
- 105.973-103.479 151.774 -26.823
- 93.965 39.277 134.095 -90.428
- 93.980 69.678 133.904 -87.177
- 94.128 166.070 135.074 -96.168
- 101.698 172.423 141.722-119.913
- 140.243-124.304 113.814 -84.988
- 92.038 60.716 0.000 0.000
- 113.995 14.240 152.006 -6.828
- 92.000 50.640 139.000 -87.037
- 92.923 37.791 137.087-112.557
- 94.586 49.049 115.746 -76.651
- 93.756 -15.320 150.469-113.069
- 126.629-125.679 149.225-114.184
- 93.141 1.366 110.067 -83.770
- 111.826-113.007 111.729 -82.118
- 118.880-100.872 121.994-130.806
- 94.063 51.811 116.457 -76.426
- 122.247-129.843 152.773-110.054
- 122.314-115.488 121.095 -79.462
- 124.719 89.548 146.905 -82.665
- 98.614 -27.427 145.286-138.196
- 92.156 -57.707 147.352-112.802
- 91.590 -1.434 149.603-121.715
- 117.292 -58.949 146.273 -82.707
- 94.403 -5.159 133.071 -89.042
- 119.236 138.605 146.287 -83.293
- 121.402 -88.083 147.765 -99.743
- 95.002-103.403 139.182-102.737
- 112.278-178.993 153.088 -24.484
- 105.358 -36.102 151.361 -27.514
- 93.908 -2.797 144.013-125.484
- 122.938 0.000 147.133 -81.845
- # 42 total E -1.15346E+02 rmsd from N 0.000 %NC 0.00
- 93.625 56.109 137.969-104.077
- 93.752 92.054 139.320-106.174
- 95.386 112.015 144.439-135.896
- 120.427 135.451 145.789 -83.678
- 122.014 16.985 154.285 178.138
- 91.415 63.498 123.620 -30.877
- 93.864 20.475 130.202 -88.610
- 99.144-106.761 141.127 -85.966
- 93.722 -19.240 149.163-115.880
- 117.984 -67.445 148.182-162.026
- 91.587 145.071 145.906-111.663
- 93.423 41.605 100.694-112.828
- 93.633 50.663 144.259-138.291
- 91.415 46.643 148.711-116.212
- 90.562 43.538 141.756-132.643
- 93.224 99.096 132.344 -91.077
- 94.115 88.056 136.052 -81.279
- 93.061 58.465 137.433-102.837
- 106.084 -67.205 142.004-119.167
- 94.911 137.410 145.108-135.139
- 119.821 32.714 0.000 0.000
- 124.131-142.390 158.022 178.531
- 111.338 4.980 140.467 -88.202
- 94.262 51.839 138.753-114.475
- 93.712 63.515 116.427 -76.328
- 93.644 -2.332 146.118 -39.734
- 120.786-106.204 149.763-122.677
- 115.912 165.331 152.073 -19.981
- 121.708 -63.092 113.619 -83.239
- 119.813-128.546 120.429-127.965
- 93.564 60.418 116.497 -76.462
- 121.525 -84.743 150.972 -99.308
- 92.900 111.971 116.361 -76.191
- 93.599 -20.265 129.476 -76.236
- 98.295 137.133 150.265 -30.255
- 115.087-157.623 157.070-137.878
- 111.045-108.168 153.417 -26.401
- 126.461 -92.726 147.867 -82.598
- 94.049 31.206 133.688 -89.502
- 111.110 91.302 145.366 -83.625
- 119.215 -78.859 145.064-106.123
- 116.548 -98.856 144.723 -86.016
- 114.734-168.308 156.653-133.054
- 94.362 49.561 143.409-135.186
- 93.594 42.091 143.477-124.538
- 123.360 0.000 147.038 -83.581
- # 43 total E -1.14112E+02 rmsd from N 0.000 %NC 0.00
- 93.622 57.594 137.952-104.238
- 95.411 -77.056 137.898-104.337
- 114.675 65.639 112.307 -83.595
- 92.765 43.422 129.506 -76.271
- 92.955 84.834 142.693-152.015
- 92.063 39.832 139.440-152.204
- 94.879-145.047 128.837 -84.784
- 106.551-138.224 141.132 -84.887
- 107.746 -82.296 151.231 -29.721
- 92.552 56.432 139.958-141.217
- 93.157-121.497 147.059-107.953
- 92.534 76.195 100.259-112.470
- 126.329-166.440 112.433 -84.427
- 108.158 -67.048 153.378-128.394
- 95.894 73.115 150.500 -31.061
- 95.988-159.198 133.718 -89.002
- 123.101-136.034 154.671-105.494
- 124.145-156.240 151.051-102.018
- 119.787-114.859 141.221 -84.649
- 112.513 -60.860 152.395 -23.730
- 133.966-115.141 0.000 0.000
- 126.293 131.880 159.937 175.465
- 108.018-150.024 141.344 -87.190
- 93.715 55.295 137.048-108.388
- 94.598 10.591 116.228 -76.420
- 109.116 30.169 152.113 -27.596
- 120.355 179.320 144.134-111.620
- 119.635 157.093 152.472 -18.300
- 96.074 28.861 149.837 -23.685
- 120.762-157.608 121.331-128.695
- 93.181 79.583 116.317 -76.409
- 94.274 -43.994 136.041-101.730
- 112.404-172.833 119.308 -78.409
- 93.252 55.307 129.378 -76.183
- 93.989 38.061 143.883-137.612
- 91.895 61.626 150.087-123.041
- 91.952-165.485 147.077-119.415
- 93.592 -26.298 129.554 -76.249
- 95.177 101.855 135.873 -87.194
- 128.103-154.252 147.244 -83.274
- 122.731-166.543 154.689-105.657
- 123.146-101.888 148.867 -97.753
- 112.945-123.865 153.054 -25.147
- 93.235 -4.384 143.558-134.444
- 115.366-146.598 151.665 -20.081
- 93.427 0.000 129.507 -76.277
- # 44 total E -1.14005E+02 rmsd from N 0.000 %NC 0.00
- 124.008-152.775 148.875 -69.782
- 116.290 23.263 152.347 -97.518
- 96.604 32.923 110.835 -82.284
- 125.417-112.294 149.656 -88.723
- 115.689 -4.758 149.710 -7.091
- 115.579 -11.585 147.387 -2.910
- 115.577-112.929 154.013-109.906
- 119.526 99.064 164.958-110.121
- 93.243 80.962 145.696 -40.434
- 120.812-114.840 102.742 -84.175
- 114.657-155.030 154.675 -22.433
- 92.969 44.159 100.633-111.617
- 96.807-139.638 144.382-137.583
- 122.256-126.412 158.781-142.507
- 93.432 47.450 143.316-136.658
- 93.605 38.777 133.570 -90.731
- 93.138 53.013 134.340 -86.326
- 93.352 112.533 135.087-102.414
- 108.363 33.920 142.645-115.845
- 94.926 27.290 111.404 -83.011
- 111.300-160.708 0.000 0.000
- 139.104-101.947 111.244 -89.465
- 92.692 -68.081 138.555 -93.938
- 121.091-132.103 152.976 -94.740
- 92.180 105.632 116.194 -76.249
- 92.756 -69.088 147.962-117.133
- 94.147 112.983 138.827 -95.494
- 94.374 141.776 109.668 -82.479
- 92.052 30.333 142.762-122.335
- 120.527-162.047 120.958-128.329
- 93.358 93.713 116.003 -76.493
- 94.442 -61.734 137.307 -93.162
- 98.390 -39.922 117.015 -77.094
- 94.577-169.391 129.343 -76.171
- 103.311 -1.753 150.080 -24.993
- 93.488 84.293 151.370-125.941
- 92.249 55.168 149.700-122.026
- 122.064-132.935 147.398 -82.796
- 96.588 148.944 134.231 -89.424
- 93.839-117.413 129.585 -76.300
- 93.682 41.883 137.454 -81.634
- 93.275 65.249 136.338 -82.470
- 91.968 60.739 145.223 -41.005
- 93.161 76.425 150.516 -31.044
- 92.520 79.465 142.831-123.735
- 122.970 0.000 146.839 -82.414
- # 45 total E -1.13890E+02 rmsd from N 0.000 %NC 0.00
- 93.656 95.880 138.039-101.590
- 94.209 146.087 138.494-104.439
- 126.841 115.516 112.663 -84.293
- 126.269 163.615 147.945 -82.834
- 120.950 21.271 108.325 -84.858
- 113.803 -6.226 147.307 -3.512
- 113.662-151.343 155.673-129.960
- 92.539 62.746 141.900 -89.375
- 92.680 3.081 148.426-111.482
- 120.253 147.426 102.629 -81.989
- 104.630 -69.238 151.014-128.894
- 113.577 11.347 122.494-133.971
- 91.806 101.529 143.157-133.453
- 93.621 118.211 145.545 -38.916
- 121.811 107.344 112.860 -84.372
- 121.893-141.143 153.756-103.376
- 118.135 91.606 154.730-106.186
- 94.130 64.533 137.442-103.037
- 114.967 -62.569 139.908 -53.614
- 95.244 -48.322 143.862-134.890
- 96.687 55.534 0.000 0.000
- 141.339-178.171 112.350 -90.905
- 124.349 167.913 163.553-116.461
- 94.506 -99.779 138.246 -96.994
- 91.365 106.053 116.071 -76.065
- 93.975-113.004 147.559-122.238
- 94.151 14.336 138.385 -96.108
- 113.490 -96.252 151.522 -20.264
- 115.084 -80.286 154.082 -17.775
- 121.770 96.713 121.037-127.569
- 95.272 -91.460 116.869 -76.807
- 93.697 3.903 137.551-103.427
- 106.447-155.021 118.432 -77.582
- 128.344-148.972 147.388 -81.837
- 108.154 -71.898 111.309 -83.104
- 92.496 18.927 149.380-117.516
- 109.421 135.352 153.594 -25.649
- 126.281 105.154 146.447 -82.713
- 95.330 -1.498 135.009 -94.434
- 117.328 -63.487 145.116 -82.958
- 93.575 -21.215 136.683 -83.914
- 94.751 -77.725 138.864 -98.403
- 110.362-106.808 155.972-130.781
- 95.920 38.870 111.299 -83.404
- 94.313 112.509 143.847-125.855
- 124.160 0.000 146.887 -83.230
- # 46 total E -1.13286E+02 rmsd from N 0.000 %NC 0.00
- 123.107-101.930 151.247 -94.433
- 94.598 -52.277 134.978 -93.661
- 110.670 -92.164 111.537 -83.574
- 120.837 175.317 147.411 -82.676
- 115.234 -74.296 147.619-166.765
- 93.248 29.304 141.585-157.695
- 113.902 123.922 153.378 -85.065
- 120.089 105.025 164.946-104.582
- 92.043 -46.300 147.464-108.579
- 94.574 129.403 99.561 -77.678
- 123.554 -63.615 159.835-144.472
- 94.112 68.273 100.270-113.908
- 94.882 37.861 150.219 -30.416
- 92.658 63.149 149.456-120.932
- 95.765 80.482 148.865 -23.569
- 95.373 12.503 133.177 -92.148
- 96.118 57.431 134.873 -87.215
- 94.914 -5.842 137.740-101.831
- 123.552-127.988 139.686-103.565
- 95.076 74.837 150.045 -31.813
- 126.837-143.717 0.000 0.000
- 129.199 145.177 157.459 175.197
- 123.351-121.125 164.396-105.462
- 93.623 59.863 140.042-112.115
- 90.414 144.270 115.479 -75.944
- 93.765 27.502 144.360-122.379
- 94.515 95.820 139.794-109.155
- 116.400 -90.676 152.221 -20.704
- 115.472-129.382 151.800 -20.076
- 121.158 110.785 121.175-128.273
- 94.587 27.042 116.558 -76.511
- 94.327 55.729 137.538-104.441
- 116.449 167.931 120.294 -78.671
- 117.391 67.831 146.211 -83.153
- 92.886 118.876 143.074-132.171
- 95.129-140.990 146.271-107.292
- 91.265 79.594 150.195-118.449
- 115.542 -21.201 145.129 -82.518
- 93.562 64.703 131.923 -89.250
- 92.646 4.921 129.333 -76.129
- 113.578-106.452 145.688 -94.336
- 117.725-140.145 148.198 -88.609
- 92.404 59.015 150.574-124.090
- 93.948 36.368 150.262 -31.767
- 93.172 98.877 143.468-124.764
- 124.202 0.000 146.979 -84.209
- # 47 total E -1.13176E+02 rmsd from N 0.000 %NC 0.00
- 93.756 117.676 137.677 -99.380
- 95.387 -98.128 138.154-104.588
- 116.430-122.864 152.495 -22.087
- 93.387 -78.548 129.297 -76.147
- 120.186 -91.268 150.950-175.331
- 92.886 62.709 141.493-160.112
- 92.976 21.964 130.600 -88.484
- 92.622-170.297 140.533 -84.614
- 113.563 171.558 154.267 -22.763
- 96.750 171.832 140.546-145.209
- 108.921 178.097 152.438 -28.231
- 94.588 -53.650 100.536-112.190
- 96.348 145.776 111.157 -82.989
- 101.471 -95.137 152.029-122.251
- 93.176 102.101 143.501-134.811
- 121.761-119.829 153.333-111.347
- 120.933-118.532 154.291-102.058
- 124.303-105.508 152.814-121.578
- 117.951-109.746 143.513-129.166
- 115.585-163.960 152.434 -21.254
- 134.311 -62.505 0.000 0.000
- 127.315 -31.776 159.599 167.936
- 92.174 62.735 139.555 -90.228
- 92.932 7.483 136.566-104.927
- 101.537-122.345 117.423 -77.259
- 121.596 178.925 159.422-142.072
- 94.202 33.753 137.901 -88.798
- 94.196-117.583 143.540-124.470
- 108.690 118.535 151.062 -20.973
- 122.614-132.879 120.064-125.814
- 90.943 152.161 116.091 -76.221
- 95.484 170.341 135.093-100.614
- 93.477 32.287 116.369 -76.323
- 93.347 70.101 129.527 -76.264
- 114.907-133.674 152.676 -21.930
- 121.704-142.433 157.141-132.801
- 106.478-169.684 152.488-122.100
- 127.739-127.412 147.445 -82.345
- 95.569 -15.689 132.982 -94.687
- 120.469 78.955 146.650 -83.252
- 118.288 -90.524 147.194 -95.233
- 95.002 -83.868 138.359 -94.363
- 92.599 68.808 150.407-122.110
- 112.463 -81.489 152.547 -23.713
- 118.791 134.766 112.258 -82.420
- 93.148 0.000 129.465 -76.239
- # 48 total E -1.12885E+02 rmsd from N 0.000 %NC 0.00
- 93.540 77.261 136.065 -95.062
- 127.706 175.333 148.401 -57.349
- 102.332 -4.222 151.033 -27.999
- 115.009 -10.970 146.027 -83.824
- 117.940 166.031 152.388-173.012
- 119.621 15.952 149.428 -0.719
- 96.076-136.168 133.464 -87.126
- 124.327-148.718 162.489 -89.125
- 102.871 -86.572 153.036-122.158
- 117.337 -29.752 146.381 -9.320
- 93.267 89.835 146.064 -40.837
- 94.198 72.402 99.049-109.296
- 96.932 118.229 145.622-141.117
- 91.828-122.141 149.176-109.641
- 94.637 131.912 143.940-137.508
- 122.419-131.626 154.521-119.586
- 94.646 88.148 134.064 -88.929
- 125.486-163.720 148.373 -86.658
- 105.199 34.104 141.995-113.022
- 93.404 39.740 143.926-134.482
- 93.098 52.489 0.000 0.000
- 90.614 39.753 130.972 -38.182
- 112.091 100.010 166.479-127.288
- 93.690 -69.361 134.111-103.091
- 92.806 150.669 116.325 -76.204
- 108.481 104.763 152.817-126.736
- 120.535-104.657 150.330 -79.736
- 104.575-121.079 149.081-135.745
- 117.991 89.263 112.793 -82.950
- 120.313-107.631 121.039-128.544
- 92.850 55.230 116.388 -76.274
- 93.379 51.649 137.634-104.743
- 92.456 112.707 116.162 -76.315
- 123.187 -87.115 146.772 -82.945
- 92.745 -37.757 142.945-129.107
- 100.523 -99.143 148.380 -35.395
- 116.243-124.201 156.986-135.295
- 92.830 40.942 129.579 -76.245
- 95.118 136.997 132.786 -89.332
- 125.642-102.276 146.669 -84.149
- 93.444 43.289 137.677 -83.775
- 93.185 53.473 137.547 -92.405
- 90.721 54.859 147.092-115.306
- 91.873 46.425 150.067 -32.752
- 93.321 100.851 108.739 -82.534
- 123.757 0.000 146.251 -83.539
- # 49 total E -1.12699E+02 rmsd from N 0.000 %NC 0.00
- 123.576-109.634 150.356 -80.533
- 94.763 -53.761 137.401-106.629
- 93.354 -51.892 143.179-132.670
- 92.941 141.707 129.531 -76.239
- 111.866 144.813 144.341-153.788
- 118.121 132.393 151.163 178.603
- 95.295 -85.617 131.343 -86.789
- 91.809 63.707 141.448 -84.593
- 93.563 82.725 145.442 -40.507
- 115.751 8.361 145.099-153.267
- 93.874 164.195 147.461-110.409
- 121.031 141.508 120.675-126.976
- 102.251 -85.696 146.336-141.375
- 92.429 37.636 148.729-115.073
- 121.668 170.327 112.958 -84.409
- 122.877-177.842 153.615-122.173
- 94.185 60.449 133.748 -89.211
- 93.637 33.044 137.221 -99.406
- 113.787-123.650 136.675 -74.353
- 95.323 143.477 149.848 -29.037
- 94.066 56.106 0.000 0.000
- 123.760 125.472 160.423 174.271
- 96.737-106.859 140.812 -87.327
- 93.123 42.154 137.974-108.335
- 92.869 59.672 115.780 -76.544
- 93.325 -19.419 145.337 -39.225
- 122.566-140.875 143.255 -73.601
- 109.280 153.156 151.334 -20.976
- 112.116-134.071 153.338-143.534
- 93.043 88.345 99.852-114.658
- 92.921 92.295 116.184 -76.463
- 119.094 141.415 148.985 -73.772
- 93.801 43.371 116.383 -76.378
- 93.242 47.741 129.512 -76.239
- 96.055 140.130 150.717 -28.992
- 110.308-121.040 152.722-124.981
- 112.394 176.299 153.619 -25.428
- 124.336-172.298 147.443 -83.218
- 123.746-124.063 154.231-121.030
- 126.693-166.135 147.377 -82.740
- 124.303-120.840 149.627-102.708
- 123.345-108.394 148.691 -84.690
- 112.770-161.546 152.858 -24.939
- 93.289 60.081 143.630-134.832
- 93.134 75.385 143.180-124.154
- 93.011 0.000 129.418 -76.206
- # 50 total E -1.12044E+02 rmsd from N 0.000 %NC 0.00
- 123.201-106.384 151.353 -93.257
- 125.031-120.218 148.504 -75.016
- 108.538-110.560 150.379 -26.942
- 120.075 142.762 147.836 -81.236
- 122.475 -81.796 151.283-178.582
- 95.053 28.489 137.758-147.359
- 94.910 57.011 132.487 -91.413
- 93.335 -50.654 139.832 -81.835
- 120.555 -71.828 159.802-136.317
- 118.976 -79.180 144.800-155.399
- 91.908 100.288 145.910-107.532
- 120.986 -76.356 120.314-126.977
- 93.791 -52.704 150.002 -31.009
- 109.874-176.669 155.235-137.108
- 130.153-173.606 112.937 -84.503
- 120.543-177.801 154.889-119.576
- 121.320 -84.839 155.767-116.414
- 94.528 -2.408 137.984-103.912
- 116.096 66.795 144.157-123.901
- 120.855 144.406 113.424 -83.734
- 95.678 66.352 0.000 0.000
- 128.302-127.721 157.335 167.625
- 123.010-139.235 163.228-103.751
- 92.830 58.547 137.393-106.960
- 92.426 132.277 115.695 -76.132
- 91.977 60.650 147.909-114.757
- 93.769 48.939 139.557-105.527
- 113.041-157.543 111.477 -82.964
- 116.459 -37.498 112.994 -82.635
- 119.007 -65.226 122.098-130.931
- 94.713 26.692 116.502 -76.563
- 121.636 -74.844 151.445 -78.344
- 113.232-153.106 119.529 -78.409
- 128.396-129.594 148.818 -82.766
- 116.691 -25.913 112.288 -83.535
- 100.511-143.851 150.418-120.772
- 111.890 16.535 154.469-129.957
- 93.340 49.291 129.542 -76.297
- 93.979 15.181 136.433 -87.560
- 119.303-171.527 146.095 -82.918
- 119.276 110.846 150.396-109.993
- 117.233-152.914 147.036 -76.941
- 112.706 -91.154 153.575 -24.033
- 93.056 64.324 143.020-134.376
- 92.797 69.293 143.229-123.615
- 93.012 0.000 129.423 -76.249
- # 51 total E -1.12003E+02 rmsd from N 0.000 %NC 0.00
- 93.609 57.320 137.523-102.243
- 93.723 81.145 139.193 -98.257
- 93.484 30.950 144.018-134.854
- 121.435 163.103 147.156 -82.895
- 119.705 -82.536 151.857-177.828
- 112.403 0.179 146.257-171.374
- 95.747 153.818 133.413 -91.097
- 91.585 75.265 142.101 -86.345
- 91.691 -91.698 149.056-119.245
- 115.798 153.025 147.310 -9.999
- 114.958 40.690 155.581 -22.543
- 96.379 -88.541 100.283-108.158
- 95.717 13.282 149.480 -32.448
- 111.547 175.383 154.498-132.737
- 138.603 18.499 114.142 -85.755
- 125.508 128.969 153.788-107.300
- 114.532 70.021 156.004 -94.126
- 93.815 98.183 137.555-103.357
- 107.298 -19.283 145.758-136.284
- 93.466 -71.249 143.465-132.890
- 93.552 22.154 0.000 0.000
- 141.987-113.682 111.397 -91.582
- 94.743 -45.155 138.043 -92.760
- 93.991 -34.355 137.802-115.313
- 89.149 -47.766 115.621 -75.854
- 90.475 -43.945 149.629-123.318
- 94.467 -78.813 139.461-103.738
- 92.395 68.061 143.247-124.913
- 108.964 -91.120 151.581-139.366
- 120.872 -0.505 120.412-127.369
- 93.046 -52.470 116.503 -76.214
- 94.965 -9.642 141.438-123.272
- 107.209 -39.217 118.635 -77.677
- 119.626 -32.398 146.738 -83.172
- 95.886-176.004 149.554 -28.886
- 92.423 -43.148 147.978-119.319
- 93.868 129.269 146.366 -37.317
- 124.064 120.010 146.665 -83.950
- 94.224 28.661 133.034 -89.413
- 119.469 -30.591 146.445 -83.196
- 115.434-112.213 147.865 -97.762
- 115.981 23.407 148.674 -69.665
- 92.041 66.200 150.734-124.054
- 91.343 40.739 143.211-134.827
- 92.389 70.381 142.828-121.619
- 93.036 0.000 129.475 -76.266
- # 52 total E -1.11486E+02 rmsd from N 0.000 %NC 0.00
- 93.612 57.234 137.636-103.542
- 122.974-103.994 149.552 -69.753
- 93.736 -86.684 143.019-131.116
- 92.664 43.383 129.615 -76.356
- 113.554 -64.752 147.837 -8.336
- 120.136-110.668 148.005 -5.617
- 114.919 89.707 153.281 -94.388
- 123.015-101.944 163.000-104.023
- 90.564 59.535 148.583-114.889
- 91.630 128.059 137.792-137.190
- 92.490 77.852 145.439-106.060
- 119.118 -24.397 121.137-129.195
- 95.456 114.596 111.220 -82.982
- 94.852 2.695 146.106 -38.092
- 97.675 90.287 146.117-140.703
- 95.416 -20.935 134.179 -86.045
- 116.057 113.118 154.573 -98.081
- 95.449-111.290 139.372-113.886
- 93.911 98.277 140.468-113.273
- 108.122-158.369 148.378-141.531
- 93.506 37.542 0.000 0.000
- 121.688 160.541 159.177 175.097
- 119.644 2.696 166.878-128.945
- 93.586 -52.582 137.348-105.038
- 92.711 -46.292 115.944 -76.794
- 91.827 -61.202 147.548-101.555
- 94.101 102.294 139.748-123.014
- 121.193-109.135 152.792 -20.451
- 93.692 -61.576 143.962-123.625
- 119.870 -3.896 121.391-129.351
- 110.596 133.364 144.649 -77.103
- 122.731 -92.476 152.015-102.199
- 93.036 102.022 116.367 -76.203
- 120.358 -58.220 146.405 -82.167
- 91.978 109.709 142.829-132.399
- 93.408 111.830 146.612 -37.211
- 92.943 60.633 146.550 -37.598
- 92.622 34.437 129.278 -76.028
- 93.789 39.358 132.274 -98.577
- 120.284-170.435 145.777 -82.798
- 93.839 72.893 137.817 -81.472
- 94.018 77.384 137.648 -90.782
- 92.919 2.337 150.734-119.724
- 106.645 -99.878 147.996-145.237
- 92.911 105.564 143.423-125.021
- 123.760 0.000 146.538 -83.042
- # 53 total E -1.10962E+02 rmsd from N 0.000 %NC 0.00
- 123.576-173.928 149.197 -72.352
- 93.638 27.654 137.578-103.087
- 124.304-133.858 112.222 -83.647
- 118.965-170.878 148.214 -87.849
- 121.967 -93.651 148.967 -6.580
- 92.903 31.619 141.106-166.305
- 93.536 58.752 129.394 -87.557
- 92.187 -47.359 138.771 -82.294
- 111.948-101.451 153.456-132.423
- 112.383 -41.843 105.217 -80.507
- 95.612 122.458 149.050-122.012
- 125.134-121.036 118.315-120.549
- 112.700-150.724 111.923 -83.621
- 112.544-172.819 154.191 -24.574
- 117.829-121.771 153.517 -21.248
- 94.181 67.781 134.047 -90.408
- 94.341 99.558 134.012 -87.410
- 94.954-104.297 137.806-109.189
- 94.038 39.881 140.510-111.800
- 114.223-170.914 151.945 -21.368
- 94.924 124.426 0.000 0.000
- 123.109 -91.755 153.811 0.929
- 97.048 29.594 138.754 -86.005
- 94.854 103.647 140.827-131.566
- 94.685 56.923 115.599 -76.684
- 94.221 72.645 146.953 -36.977
- 121.838-130.602 150.207 -82.539
- 92.763 55.485 143.354-125.223
- 113.516 119.396 151.480 -20.440
- 119.856 90.382 121.685-129.726
- 93.751 79.401 116.446 -76.423
- 94.174 65.188 137.333-104.341
- 94.817 -79.321 116.190 -75.796
- 110.113 -23.257 144.978 -83.660
- 92.365 -53.108 111.183 -82.680
- 92.691 139.107 150.670-121.487
- 109.147 172.947 151.641-119.530
- 126.201-143.489 147.676 -83.392
- 120.103-157.389 154.720-113.283
- 130.197-139.000 146.757 -82.601
- 111.685 105.986 144.081 -94.598
- 94.061 -37.834 137.705 -86.221
- 92.907 -50.794 148.981-118.220
- 93.767 179.510 143.684-135.079
- 119.967-145.821 151.725 -20.079
- 125.616 0.000 147.332 -82.832
- # 54 total E -1.10941E+02 rmsd from N 0.000 %NC 0.00
- 93.627 70.725 138.154-102.437
- 93.885 5.505 137.841-104.142
- 117.530 63.806 112.472 -83.631
- 121.805 104.124 147.200 -83.378
- 121.181-172.554 154.052 179.797
- 93.560 64.311 141.821-148.836
- 94.622 -5.318 130.378 -84.742
- 122.356 102.443 164.980-107.282
- 90.716 -78.180 145.742 -95.109
- 89.459 102.138 138.441-141.961
- 91.999 35.044 145.602-112.492
- 119.616 -82.180 120.886-128.513
- 95.619-100.619 144.308-136.547
- 119.970-141.075 157.905-132.374
- 91.907 67.302 149.962 -32.246
- 93.394 67.208 129.657 -92.723
- 93.758 46.394 132.363 -92.641
- 94.320 -94.278 137.522-103.429
- 111.288 172.789 144.036 -76.949
- 113.118 -16.899 112.002 -83.665
- 93.559 48.887 0.000 0.000
- 141.823-120.498 111.775 -92.292
- 108.940 -26.304 139.122 -91.404
- 94.573 -31.082 137.265-106.463
- 117.453 152.603 147.431 -76.224
- 107.420 152.091 153.599-126.135
- 125.454-168.891 149.922-125.402
- 95.805 -9.052 110.104 -83.684
- 96.603-107.047 145.619-127.344
- 121.050-176.418 121.397-128.617
- 96.608-178.031 116.806 -76.736
- 94.730 -87.144 140.689-115.898
- 93.881 57.150 116.364 -76.225
- 93.463-105.400 129.728 -76.440
- 94.058 158.843 111.631 -82.931
- 115.266-138.176 155.103-122.973
- 91.692 110.296 149.493-121.065
- 126.546-127.139 146.748 -82.380
- 121.440 -79.965 154.756-121.096
- 114.104 21.276 145.924 -84.140
- 93.322 64.457 138.475 -85.533
- 93.798 111.901 137.214 -89.488
- 93.682 -50.326 146.144 -39.404
- 95.093 -54.593 150.242 -32.746
- 113.041-149.500 151.397 -20.494
- 125.805 0.000 147.647 -83.235
- # 55 total E -1.10751E+02 rmsd from N 0.000 %NC 0.00
- 122.613 -78.125 151.959 -90.922
- 123.734 -93.409 151.238-104.212
- 116.322-165.675 152.065 -22.662
- 124.150-163.253 147.740 -82.994
- 124.031-104.312 151.260-178.970
- 108.671 14.729 145.407-166.496
- 95.189 148.271 132.402 -84.558
- 93.223 -70.433 139.648 -85.328
- 92.159 -12.935 148.454-115.244
- 107.257-119.907 144.405-150.484
- 110.451 94.778 153.046 -26.519
- 122.436 152.078 120.203-125.760
- 111.345 167.626 152.319 -22.231
- 114.130-144.507 154.312 -22.193
- 95.745 47.502 150.152 -35.627
- 94.691 39.092 132.169 -90.369
- 94.182 40.116 136.349 -82.451
- 93.591 43.782 139.587-112.864
- 92.826 44.446 147.103-145.904
- 93.233 56.152 150.273 -31.785
- 94.605 166.755 0.000 0.000
- 125.078 169.388 159.329 175.149
- 91.495 -36.812 139.692 -88.533
- 93.634 -38.344 137.166-105.143
- 91.872 -39.797 116.216 -75.995
- 94.092 -37.514 146.656 -37.653
- 94.995 -31.018 139.999-116.561
- 106.401 -38.364 112.002 -83.579
- 95.500 127.787 110.153 -82.680
- 121.882 149.133 120.320-126.486
- 93.901 -29.142 116.257 -76.794
- 95.026-116.614 135.649 -95.546
- 91.423 60.361 116.085 -76.118
- 92.875 33.240 129.414 -76.201
- 105.662-175.724 111.829 -82.991
- 123.267 -75.872 159.702-148.149
- 110.369-118.974 153.312-126.637
- 126.777 -22.379 147.957 -83.199
- 97.861-107.799 134.093 -89.592
- 126.236-140.850 147.053 -82.581
- 125.277-107.834 148.538 -80.126
- 93.568 95.156 138.243 -91.481
- 91.843 -6.392 147.479-113.766
- 109.343-115.883 152.275 -27.138
- 118.858 176.962 112.253 -82.376
- 125.670 0.000 147.676 -82.976
- # 56 total E -1.10207E+02 rmsd from N 0.000 %NC 0.00
- 93.705 1.950 136.884-103.176
- 94.281 -52.385 137.733-104.106
- 93.600 -15.711 143.515-132.914
- 116.468 -48.952 145.555 -83.507
- 119.192-152.509 151.636-173.150
- 119.429 168.441 150.638 1.464
- 97.624 -37.155 134.477 -89.517
- 119.573 -18.153 167.606-132.593
- 92.548 120.967 150.015-122.486
- 102.953 45.583 143.896-142.800
- 92.701 46.170 148.814-119.541
- 94.007 60.797 99.780-111.959
- 94.839 -5.291 142.998-130.852
- 113.682-135.293 153.446 -24.123
- 93.330 52.097 111.180 -83.109
- 95.492 143.262 132.094 -89.558
- 122.423 108.601 153.529-111.250
- 93.524 74.646 138.422-107.222
- 93.378 69.969 139.622-111.357
- 122.277-153.973 113.161 -83.969
- 138.982 -72.395 0.000 0.000
- 121.922-150.802 153.667 -1.864
- 91.228 -73.240 137.573 -89.560
- 94.090 -0.145 139.445-115.378
- 101.761 -92.553 117.943 -77.221
- 109.182 156.628 152.535 -26.423
- 121.858 -88.993 146.106-120.370
- 95.159 -58.018 109.394 -83.158
- 115.422 179.216 151.856 -19.341
- 95.311-139.810 99.699-114.618
- 92.726 69.890 116.286 -76.358
- 93.206 57.409 137.056-102.879
- 92.161 119.773 116.334 -75.780
- 92.814 60.955 129.457 -76.231
- 113.176-151.703 112.154 -83.580
- 112.969-157.858 154.204 -24.712
- 112.062 177.203 153.645 -25.408
- 119.732 -0.453 146.969 -84.070
- 96.013 -94.071 133.619 -89.105
- 121.283 76.831 146.492 -83.137
- 93.980 80.728 138.397 -92.744
- 94.149 -15.673 136.346 -83.222
- 108.269-120.318 151.356 -28.897
- 93.219 -7.861 143.568-134.732
- 115.773-132.168 111.627 -82.347
- 125.186 0.000 147.283 -82.015
- # 57 total E -1.09849E+02 rmsd from N 0.000 %NC 0.00
- 123.102 -98.000 151.281 -93.093
- 94.223 -0.571 136.624-102.799
- 102.174 -97.019 146.462-140.259
- 120.198 99.425 146.885 -83.171
- 128.527 -8.157 106.549 -85.050
- 128.154 -57.224 104.167 -85.353
- 95.575 -80.393 133.964 -93.085
- 125.701 163.096 160.428 -65.037
- 91.309 71.684 152.874-125.594
- 103.437-129.560 145.185 -16.130
- 122.870 -94.653 157.531-140.783
- 95.031 -43.955 99.631-109.668
- 93.013 -71.053 143.661-134.709
- 93.215 107.751 146.349 -39.079
- 127.997 11.930 112.762 -84.632
- 94.366 61.141 132.869 -91.505
- 116.460 -33.363 153.241-124.537
- 120.446-148.797 151.139 -71.257
- 113.591 -17.027 144.917-125.459
- 95.759 94.199 144.859-138.036
- 122.929 -47.565 0.000 0.000
- 126.716 -86.137 160.063 169.691
- 101.887 -83.346 139.924 -90.299
- 95.617-137.894 132.517-101.982
- 91.967 138.031 116.235 -76.181
- 108.752 -19.254 150.755-119.794
- 116.375 -35.241 144.546-101.265
- 112.603 -86.610 111.096 -82.916
- 109.941 -75.793 111.570 -82.262
- 118.459 -96.005 121.894-130.951
- 95.446 30.232 116.725 -76.790
- 96.769-106.645 138.109-106.714
- 109.500 -88.399 118.890 -77.502
- 128.032-153.116 146.290 -79.753
- 90.774 72.433 142.764-132.727
- 91.984 -22.526 145.242-111.590
- 114.588 169.089 154.894-127.275
- 116.326 99.144 147.241 -83.691
- 93.819 92.709 131.289 -85.666
- 92.748 59.649 129.449 -76.296
- 93.567 71.120 138.085 -85.382
- 116.489 -88.967 144.977 -86.902
- 105.321 83.438 150.406 -30.588
- 116.059-173.689 152.283 -21.611
- 94.066 65.464 109.492 -83.018
- 93.013 0.000 129.443 -76.230
- # 58 total E -1.09713E+02 rmsd from N 0.000 %NC 0.00
- 93.706 5.907 136.915-102.540
- 95.340-122.602 137.579-102.784
- 115.359 -73.767 152.553 -21.096
- 117.381 155.865 147.644 -88.319
- 118.726 -21.417 150.779 -5.005
- 109.875 -83.566 148.964-171.638
- 93.696 65.616 129.206 -86.722
- 93.656 95.431 140.604 -85.682
- 93.725 112.784 146.166 -35.786
- 102.616 -37.791 141.961-150.023
- 92.986 86.917 146.431 -38.729
- 96.309-143.895 98.271-106.746
- 100.766-121.617 146.375-142.715
- 92.501 49.806 149.973-124.530
- 94.234 51.160 111.269 -83.202
- 94.064 91.417 134.385 -87.334
- 121.517-150.382 153.497-111.147
- 120.992 -17.042 151.681 -99.210
- 106.647 -12.395 142.512-118.957
- 112.245-168.325 152.381 -21.713
- 119.589 34.282 0.000 0.000
- 118.323 151.446 154.982 -2.261
- 121.570 123.928 164.199-133.107
- 96.133-126.430 136.363-106.363
- 94.112 -59.036 116.505 -76.384
- 115.275-149.339 156.840-136.168
- 95.313 -49.440 138.549-100.797
- 95.500 110.490 109.956 -83.389
- 116.355-132.003 113.597 -82.625
- 94.491 105.932 99.818-113.545
- 106.656-136.216 118.932 -77.790
- 94.132 41.588 137.438-101.902
- 96.647-107.803 116.968 -76.441
- 119.170 46.400 146.736 -83.994
- 114.522-158.507 151.299 -25.093
- 105.159-171.479 150.302 -29.450
- 92.239 33.474 148.051-121.427
- 123.684-111.029 146.111 -83.315
- 94.935 158.045 133.472 -89.538
- 126.530 -80.491 146.100 -82.415
- 94.013 -31.622 137.291 -89.881
- 94.495 -44.401 138.486-100.736
- 93.406 -35.372 146.776 -38.137
- 94.470 -42.342 144.044-137.687
- 94.098 -18.108 144.010-126.064
- 93.098 0.000 129.539 -76.283
- # 59 total E -1.09535E+02 rmsd from N 0.000 %NC 0.00
- 93.946 -26.793 136.551-105.552
- 94.316 -22.513 137.382-106.021
- 96.897 139.665 150.061 -30.110
- 122.461 95.821 148.054 -81.360
- 93.808 106.159 140.395-146.071
- 112.879-112.501 143.364-165.129
- 93.606 16.954 131.843 -88.002
- 121.416 144.058 163.885 -95.167
- 92.010 -5.479 150.631-117.122
- 103.458 -88.715 142.018-141.492
- 92.006 52.591 148.937-113.090
- 119.960 -69.491 121.040-128.442
- 94.130 -48.012 111.196 -82.630
- 107.175 86.429 151.650 -28.783
- 115.416 117.552 153.754 -21.797
- 95.755 116.833 134.812 -83.969
- 120.154 -73.653 154.420-108.377
- 95.048-172.258 138.024-104.391
- 113.974 165.728 139.068-101.700
- 94.211 36.043 144.105-134.636
- 95.328 81.547 0.000 0.000
- 125.078 159.997 158.657 174.792
- 102.186-170.246 140.786 -87.095
- 115.383 27.421 153.518-124.848
- 93.031 57.100 116.336 -76.265
- 92.632 92.254 148.832-119.838
- 123.453-133.595 142.544-110.858
- 111.861 106.672 151.619 -20.710
- 123.750 -88.368 112.599 -82.754
- 119.484-132.953 121.180-129.219
- 116.267 125.765 147.797 -81.726
- 93.993 65.768 136.581-102.877
- 110.055-103.345 118.594 -77.869
- 92.678 43.291 129.369 -76.161
- 118.393 -74.549 112.079 -84.335
- 115.318-120.417 156.456-133.288
- 110.070 43.079 152.208-128.136
- 114.421 8.439 145.713 -82.917
- 92.982 58.298 131.943 -82.473
- 92.476 78.870 129.381 -76.274
- 92.806 80.625 140.523 -87.762
- 93.523 110.337 138.675 -95.288
- 92.096 110.614 148.472-110.994
- 92.651 50.179 150.118 -32.314
- 93.256 79.494 109.084 -83.091
- 93.007 0.000 129.423 -76.210
- # 60 total E -1.09333E+02 rmsd from N 0.000 %NC 0.00
- 123.024-106.557 151.455 -96.400
- 124.493-116.919 150.544-103.807
- 93.790 67.260 143.649-130.645
- 124.782 -77.606 146.624 -82.411
- 122.685-146.167 152.768 177.565
- 113.745 121.673 149.153-171.029
- 95.712-174.432 133.811 -85.120
- 123.682 177.634 163.492 -96.385
- 104.483 162.835 152.338-113.559
- 94.572 79.311 141.609-142.616
- 92.519 48.739 148.377-115.650
- 120.511 -69.388 120.955-128.120
- 93.265 175.537 143.669-134.738
- 114.435-151.317 153.646 -24.155
- 105.784 -33.943 151.725 -26.930
- 96.284 -34.728 137.168 -82.290
- 96.718 -57.636 139.230 -75.902
- 94.898 -27.514 139.556-116.074
- 96.003 145.563 140.167-107.037
- 112.720-140.908 150.937 -19.641
- 94.892 48.655 0.000 0.000
- 124.971 107.358 157.917 174.529
- 90.756 49.332 140.521 -87.313
- 93.509 111.518 138.397-109.459
- 91.213 77.282 116.252 -75.847
- 91.841 35.607 148.174-118.623
- 94.926-111.265 139.349-107.053
- 120.157 57.430 152.730 -18.825
- 121.496 142.636 152.268 -18.988
- 94.065 -11.073 99.531-110.275
- 112.931-114.935 145.078 -77.818
- 93.374 37.711 137.271-102.418
- 92.139 70.040 115.763 -75.704
- 92.727 68.187 129.460 -76.166
- 92.671 13.940 144.632-135.657
- 108.044 179.723 151.189 -28.221
- 103.111 157.220 152.609-126.197
- 125.138 63.629 147.027 -83.490
- 124.460 -93.527 153.802-102.144
- 92.906 54.642 129.464 -76.217
- 93.657 153.094 138.318 -92.847
- 126.473 -79.695 146.027-103.857
- 92.902 32.508 144.826 -41.792
- 109.013 -92.076 147.783-144.436
- 93.612 116.958 109.201 -82.938
- 124.220 0.000 146.635 -83.368
- # 61 total E -1.08733E+02 rmsd from N 0.000 %NC 0.00
- 93.794 -15.147 136.074-102.293
- 94.942-105.888 136.627-100.026
- 93.476 31.880 144.036-134.739
- 121.968 -2.374 147.357 -84.119
- 120.633-146.042 145.706 -6.099
- 131.159 39.040 105.420 -85.436
- 125.928-118.769 149.142 -63.008
- 92.135 68.186 139.016 -85.724
- 92.097 -96.082 148.184-121.075
- 99.366 166.816 142.020-145.263
- 113.839-151.974 153.762 -24.767
- 119.793 82.683 120.961-128.183
- 108.706-174.810 151.880 -26.772
- 107.917 49.286 152.551 -28.483
- 94.236 22.808 143.987-136.069
- 121.078-113.341 154.373-105.422
- 122.369-172.899 153.187 -98.517
- 95.469 -20.486 138.032-108.783
- 95.252 126.826 130.418 -17.377
- 105.822 -17.401 152.151 -24.871
- 92.909 121.292 0.000 0.000
- 94.112 129.646 135.844-129.730
- 120.182-112.742 164.826-119.817
- 125.867-113.047 150.437 -97.443
- 91.780 105.501 116.158 -76.051
- 93.151 -64.655 148.168-117.898
- 94.309 89.234 140.241-106.544
- 94.443 41.602 110.085 -84.444
- 93.627 66.819 144.062-125.364
- 119.536 70.709 122.309-130.950
- 93.163 -55.608 116.087 -76.285
- 93.909 -39.411 136.258 -99.275
- 91.804 -39.194 115.480 -75.969
- 92.694 -42.350 129.261 -76.216
- 90.770 -40.101 142.775-132.681
- 91.820 -75.455 148.794-120.776
- 106.988 134.550 152.699 -27.600
- 93.325 132.304 129.521 -76.309
- 121.002-126.081 152.590 -82.581
- 123.887 120.992 147.181 -82.823
- 120.937-116.328 148.040-101.879
- 119.518-174.536 147.617 -84.136
- 110.629 -76.646 153.037 -25.892
- 120.925-104.543 112.544 -84.098
- 119.241-144.066 152.274 -18.676
- 125.768 0.000 147.238 -83.349
- # 62 total E -1.08174E+02 rmsd from N 0.000 %NC 0.00
- 93.758 119.102 137.454-102.298
- 124.089-119.176 149.998 -69.806
- 115.457 178.945 111.575 -83.618
- 129.617-157.890 148.145 -83.348
- 119.804-104.274 149.627-176.477
- 97.609 28.528 142.620-157.414
- 94.235 51.101 131.420 -87.681
- 92.297 113.015 141.952 -88.264
- 91.334 47.017 148.386-113.424
- 90.847 48.979 139.094-139.532
- 92.133-172.049 146.809-114.949
- 97.176-123.079 99.777-107.112
- 93.256 61.084 142.960-126.267
- 91.880 49.083 148.711-123.435
- 93.735 40.318 150.136 -32.956
- 96.349 160.871 131.979 -81.860
- 118.367-147.561 155.492-108.274
- 95.798 -73.252 138.008-111.067
- 102.398 -18.442 140.448-118.506
- 109.009 54.875 112.063 -83.462
- 119.085 178.423 0.000 0.000
- 144.085 -73.483 112.556 -91.244
- 100.054 118.610 140.373 -88.868
- 124.052-148.905 150.129 -80.926
- 90.076 99.642 115.814 -76.025
- 92.983 -56.446 147.950-120.221
- 94.476 89.919 139.065-103.602
- 93.097 171.746 143.976-125.577
- 93.281 132.852 143.642-125.430
- 120.090 85.194 120.284-127.495
- 92.811 50.446 116.450 -76.728
- 93.238 36.873 137.073-102.960
- 93.474 107.363 115.978 -76.344
- 128.951 169.023 147.593 -82.472
- 93.941 57.198 149.792 -30.027
- 92.301 90.384 148.944-118.157
- 93.090 147.377 145.386 -38.441
- 118.251 16.247 146.734 -84.201
- 93.782 100.077 132.918 -89.042
- 123.120 -47.478 146.189 -83.912
- 93.812 52.888 137.688 -81.985
- 119.444-132.513 144.218 -78.040
- 106.040 148.762 152.763-126.334
- 132.059-111.211 113.365 -84.651
- 115.819 164.112 151.708 -19.863
- 126.016 0.000 147.945 -84.032
- # 63 total E -1.08152E+02 rmsd from N 0.000 %NC 0.00
- 93.666 80.557 138.785-103.717
- 93.733 80.626 138.974-107.714
- 96.573 37.047 150.205 -31.819
- 127.519-152.982 148.085 -82.777
- 120.815 53.227 151.991-176.516
- 106.518 -12.940 143.763-167.356
- 93.899-162.886 128.061 -89.804
- 93.856 47.289 142.872 -89.046
- 91.871 25.585 149.289-121.385
- 97.773 62.510 142.666-144.844
- 93.555 63.245 145.673 -40.658
- 93.090 22.301 100.901-113.422
- 95.278 58.066 150.030 -31.472
- 92.981 73.542 145.541-114.649
- 137.423 166.772 114.100 -85.302
- 93.847 32.823 133.890 -91.800
- 113.439 171.124 154.305 -95.928
- 128.010-139.903 149.649 -88.235
- 103.352 178.452 140.427-107.847
- 118.836-171.936 153.452-156.487
- 122.102 -47.641 0.000 0.000
- 122.805 -51.608 152.615 -1.230
- 87.812 131.079 138.678 -88.052
- 127.241 66.893 147.304-122.092
- 94.942 70.738 116.843 -76.406
- 115.545-133.082 156.468-130.872
- 112.777 -85.863 142.464 -80.276
- 95.025 54.848 110.412 -83.826
- 95.394 67.448 144.766-125.288
- 122.024 71.462 121.575-128.273
- 95.183 -49.855 117.030 -76.170
- 96.716-113.887 137.445-104.007
- 91.989 111.585 116.208 -76.175
- 93.530 -83.571 129.368 -76.206
- 93.470 133.875 144.010-134.142
- 91.546 59.540 148.196-121.249
- 91.217 62.681 147.627-110.634
- 92.892 102.762 129.415 -76.192
- 120.826-143.564 153.042-107.539
- 120.845 56.351 146.453 -82.824
- 116.854-140.921 148.581 -98.719
- 124.974 -81.392 147.942 -73.338
- 112.069-145.182 152.677 -25.712
- 109.956 -16.018 112.030 -83.709
- 115.406-148.586 151.703 -19.964
- 125.964 0.000 147.520 -83.491
- # 64 total E -1.07622E+02 rmsd from N 0.000 %NC 0.00
- 123.098 -99.230 151.447 -90.349
- 126.627-139.692 146.055 -58.664
- 92.892 62.082 111.777 -82.730
- 115.666 154.966 144.817 -83.090
- 119.953 150.696 150.690-173.973
- 124.196 -21.153 147.761 -1.579
- 95.858 160.416 132.193 -91.377
- 122.949 -10.314 164.362-100.696
- 112.148-162.725 155.030 -25.170
- 122.511 -59.932 148.369-163.786
- 92.493 140.035 147.265-108.954
- 120.285 -82.457 121.016-128.141
- 90.559 51.857 142.645-132.558
- 91.307 46.034 147.370-118.997
- 90.929 42.915 148.989 -36.305
- 91.894 41.488 131.725 -98.055
- 91.981 44.953 130.502 -81.439
- 92.547 58.689 134.051-100.767
- 92.130 55.327 137.285-104.077
- 106.595-105.520 151.447 -27.327
- 94.993 102.148 0.000 0.000
- 124.735 76.720 107.774 -85.876
- 91.077 134.930 139.441 -87.181
- 120.859 78.622 150.004-120.554
- 95.289 -51.503 116.656 -76.516
- 93.243 104.121 149.092-119.367
- 93.778 90.097 139.200 -96.912
- 92.447 64.812 143.166-126.514
- 93.365 87.114 109.648 -82.931
- 93.904 140.655 99.274-111.536
- 114.994-119.769 145.973 -72.123
- 121.025 -9.279 149.125-104.978
- 93.806 153.620 115.789 -76.306
- 124.004 33.699 147.075 -83.678
- 117.148-160.979 152.256 -21.275
- 91.528 53.116 149.719-114.637
- 91.345 44.938 148.573-115.291
- 92.646 32.373 129.483 -76.158
- 93.877 50.711 130.074 -89.790
- 93.064 29.665 129.368 -76.299
- 119.367 -99.431 146.256-102.285
- 94.602 -62.680 138.124 -91.244
- 105.052 104.479 153.333-128.615
- 124.140 179.447 112.981 -84.308
- 119.806-162.165 152.287 -19.088
- 125.524 0.000 147.409 -82.848
- # 65 total E -1.06717E+02 rmsd from N 0.000 %NC 0.00
- 123.188-121.424 151.246-101.843
- 93.642 -12.796 135.973 -97.793
- 112.942-122.651 111.763 -83.188
- 120.340-143.923 146.565 -82.200
- 128.348-130.864 153.679 176.939
- 90.497 50.034 140.312-153.990
- 91.696 46.750 130.712 -87.060
- 89.518 45.265 139.074 -80.316
- 91.427 35.809 146.549-119.276
- 120.156 23.046 146.095 -7.432
- 96.147 102.607 148.025-111.377
- 94.362 13.342 99.567-104.729
- 95.585 72.367 142.802-135.452
- 93.715 -31.400 145.932 -39.624
- 114.449 -98.089 152.819 -23.444
- 115.935 120.265 154.724-107.981
- 95.808 165.534 134.185 -84.011
- 96.633-164.809 142.302-117.270
- 106.708-169.856 138.099-141.694
- 121.008 179.321 154.720 -21.507
- 97.094 133.531 0.000 0.000
- 125.574-118.926 157.697 172.763
- 113.450 -9.757 140.330 -88.803
- 93.649 60.715 137.206-106.052
- 92.690 129.515 115.522 -76.740
- 113.269 -2.085 154.536 -23.958
- 125.334 162.819 149.844-113.375
- 95.005 -92.681 144.451-125.160
- 93.028 46.340 143.463-124.320
- 119.598 -78.429 121.472-129.607
- 112.456 -92.432 120.208 -78.392
- 95.914 -49.946 134.138-108.516
- 97.125-161.230 117.070 -76.535
- 93.188 -63.895 129.365 -76.207
- 93.007 -53.979 110.596 -82.872
- 91.329 107.008 150.289-124.546
- 91.416 6.390 146.969-113.106
- 118.475-156.176 147.085 -83.562
- 125.477 162.721 153.441-136.414
- 125.758 -27.202 146.810 -82.602
- 94.096 48.362 137.835 -86.486
- 120.477-159.927 145.041 -87.638
- 115.418-174.387 155.922-131.915
- 127.649-114.298 113.037 -84.615
- 119.674-178.730 112.344 -82.300
- 125.767 0.000 147.651 -83.186
- # 66 total E -1.04912E+02 rmsd from N 0.000 %NC 0.00
- 93.607 60.672 137.788-103.739
- 122.413 -99.627 152.689-118.169
- 111.821-168.119 150.064-146.235
- 124.024-157.179 147.439 -82.274
- 129.256 168.608 156.491 170.400
- 92.251 63.442 142.482-150.440
- 95.140 141.569 131.101 -87.990
- 119.077 100.003 164.453-104.561
- 92.056 48.748 148.199-113.174
- 94.170 40.638 140.434-141.840
- 94.024-131.560 145.905 -39.205
- 118.193 109.583 121.958-130.700
- 114.113 24.389 152.893 -23.881
- 93.956 133.273 146.257 -40.549
- 96.364 62.215 145.315-130.619
- 94.316 33.609 134.516 -91.485
- 93.853 48.712 139.507 -99.731
- 92.627 50.903 138.101 -95.526
- 91.939 37.188 139.779-129.653
- 98.681-122.995 145.604-138.041
- 136.434-105.515 0.000 0.000
- 126.672 172.251 158.037 174.396
- 91.230 112.343 140.590 -88.515
- 125.064-116.051 148.435-114.960
- 117.406-128.883 120.505 -78.869
- 117.160 -93.623 156.809-138.617
- 95.235 -39.697 138.808-103.422
- 93.944 113.106 143.908-125.976
- 95.244-136.623 144.867-127.417
- 120.612 12.751 121.367-128.876
- 113.191 -73.764 145.070 -79.924
- 126.455-176.515 150.537-103.566
- 90.269 -52.164 115.039 -75.790
- 92.347 -61.361 129.334 -76.252
- 90.126 -52.954 149.618 -31.580
- 88.019 -54.506 146.437-112.917
- 102.260-153.089 149.761 -31.534
- 117.262 24.482 147.946 -84.560
- 93.353 27.080 130.383 -85.209
- 119.118 157.532 145.623 -82.797
- 121.623 5.151 149.760-110.044
- 93.623 38.567 127.667 55.331
- 108.952 144.405 153.650-128.409
- 133.573 -70.558 113.967 -84.373
- 93.976 98.469 109.115 -83.598
- 93.054 0.000 129.333 -76.229
- # 67 total E -1.04656E+02 rmsd from N 0.000 %NC 0.00
- 93.627 44.284 137.721-105.447
- 93.959 22.375 136.800-102.659
- 94.992 154.877 143.909-133.988
- 124.511 58.824 147.542 -83.291
- 94.371 -10.126 136.644-133.941
- 122.177 48.996 148.032 -0.973
- 94.635 28.757 134.141 -85.754
- 94.583 45.531 140.476 -87.632
- 92.973 36.411 148.501-122.718
- 96.496 57.207 145.410 -14.397
- 92.870 74.497 148.885-125.773
- 118.894 62.678 121.632-129.681
- 122.403-155.661 112.555 -84.134
- 118.197-169.356 158.080-138.518
- 111.743 -22.564 111.683 -83.947
- 96.248-118.894 134.683 -90.274
- 113.433 105.645 155.759-113.371
- 93.674 7.283 136.182-100.909
- 109.950-109.310 138.276-112.092
- 93.852 4.220 144.840-134.793
- 112.297-124.438 0.000 0.000
- 123.928 109.129 157.077 178.324
- 122.742 142.751 164.579-112.951
- 93.176 109.155 139.394-105.188
- 94.070 -54.192 116.182 -76.535
- 93.237 77.851 149.052-119.014
- 120.679-133.375 151.646-123.232
- 124.384 141.035 152.637 -18.368
- 91.227 75.072 143.383-116.654
- 116.824 67.483 122.761-133.179
- 92.300-119.819 115.796 -76.176
- 93.814 58.809 138.676-106.852
- 95.433 162.234 116.586 -76.483
- 127.056-140.702 147.398 -81.250
- 95.822 105.408 150.054 -29.370
- 93.127 35.302 149.268-120.055
- 92.415-169.630 149.916-117.134
- 124.491-106.130 146.471 -83.097
- 119.065 106.813 156.003-158.055
- 115.534 14.578 146.376 -83.125
- 94.219 -53.298 137.549 -91.919
- 94.228 -16.523 139.111 -94.740
- 118.379-171.639 162.435-144.126
- 123.521 -95.813 112.054 -83.738
- 119.262-150.379 112.285 -82.291
- 126.366 0.000 146.825 -84.615
- # 68 total E -1.03575E+02 rmsd from N 0.000 %NC 0.00
- 123.224-110.327 151.286 -94.911
- 124.323-120.356 150.440 -94.051
- 95.815 40.954 148.599 -31.749
- 127.886 -6.877 147.625 -84.094
- 117.428-173.937 146.299 -8.522
- 117.708 -63.467 143.064-174.741
- 95.686-173.507 133.119 -85.344
- 122.670 -80.949 165.194-117.901
- 116.733-118.379 154.472-120.670
- 95.373 114.982 99.922 -78.816
- 115.819-114.370 153.304-125.714
- 92.752 31.799 100.184-112.069
- 96.956-148.550 150.269 -30.613
- 121.266-138.076 157.963-148.589
- 95.807 43.826 150.101 -32.688
- 95.808 159.564 132.482 -92.308
- 123.380-159.615 155.020-106.168
- 117.621 126.300 150.965 -72.820
- 110.919 139.843 140.219-142.362
- 124.173 -33.893 112.920 -84.158
- 95.055 157.308 0.000 0.000
- 124.766 3.087 157.549 172.993
- 119.798 13.676 165.613-133.916
- 93.101 46.222 137.149-105.321
- 92.229 87.028 115.567 -76.122
- 108.084 -59.424 152.443 -29.036
- 121.537 -15.928 147.862-111.026
- 118.996 -85.701 152.920 -19.571
- 93.856 82.834 110.108 -82.830
- 93.166 87.943 99.915-114.338
- 92.335 127.366 116.030 -75.949
- 93.191 56.005 137.221-106.406
- 92.240 94.694 116.149 -75.812
- 92.589 34.125 129.548 -76.188
- 92.385 54.168 144.264-136.806
- 92.868 103.582 147.700-117.083
- 94.439 -10.356 148.765-111.764
- 94.108 113.100 129.494 -76.271
- 120.148 111.092 154.354-144.502
- 115.758 -2.439 146.021 -83.555
- 94.482-149.774 138.240 -92.667
- 125.777 -94.091 149.749 -94.275
- 93.857 -31.232 148.390-108.764
- 94.657 -52.288 142.084-134.866
- 94.531 -14.438 109.281 -82.994
- 123.843 0.000 146.791 -83.271
- # 69 total E -1.03176E+02 rmsd from N 0.000 %NC 0.00
- 123.362-122.038 151.175 -93.823
- 121.364 60.844 152.426-118.447
- 94.198 -3.601 144.171-130.807
- 123.452 164.472 147.012 -80.811
- 93.309 48.990 138.933-144.822
- 113.295 10.580 145.567-170.140
- 124.580 -47.136 153.007 -79.791
- 123.763 82.610 163.861-116.740
- 94.342 -9.062 145.190 -40.356
- 137.910 15.457 107.357 -88.570
- 92.951 78.938 148.125-112.531
- 116.337-156.846 122.427-132.599
- 130.073 -15.488 113.377 -84.433
- 107.779 173.340 151.665 -27.844
- 102.142-146.931 145.794-141.371
- 114.536 9.790 155.803-126.311
- 93.910 66.985 133.697 -88.388
- 93.733 -26.676 137.316-103.674
- 114.712-123.059 149.161-116.755
- 128.238-173.538 113.212 -83.771
- 93.225 54.568 0.000 0.000
- 119.303-165.360 105.971 -87.037
- 123.734-101.036 164.554-130.458
- 92.912 46.894 137.150-105.305
- 89.771 49.969 115.571 -75.978
- 90.994 50.164 148.670-113.975
- 93.263 38.693 137.916 -88.589
- 92.852 69.944 143.248-125.066
- 119.421-149.413 152.200 -19.904
- 94.791-169.321 99.865-113.344
- 114.542 -47.669 119.762 -78.620
- 94.833 -52.898 138.410-105.559
- 93.804 67.350 116.418 -76.341
- 124.891-166.739 147.261 -81.866
- 93.573 72.426 144.286-135.975
- 91.620 109.406 149.321-126.445
- 92.535 25.783 147.242-116.580
- 117.493 130.527 146.032 -82.859
- 129.423-125.802 152.851-105.211
- 119.352-176.565 146.173 -83.635
- 128.163-147.181 151.428-113.644
- 119.938 -97.526 146.588 -76.170
- 112.804 -88.950 153.191 -24.483
- 93.546 110.769 142.465-135.139
- 120.031-120.618 112.268 -82.871
- 93.421 0.000 129.513 -76.239
- # 70 total E -1.02952E+02 rmsd from N 0.000 %NC 0.00
- 93.818 113.239 139.243-107.841
- 93.951 8.559 137.679-103.375
- 112.884 63.265 152.366 -23.395
- 121.686 145.317 146.997 -82.384
- 115.229 101.407 149.384-169.586
- 94.449 59.130 142.258-155.148
- 95.152 -67.749 131.369 -93.192
- 120.742 -50.172 163.743-102.318
- 93.217-132.353 149.111-112.445
- 110.089 21.102 143.857-153.668
- 94.590 171.442 146.344 -38.303
- 119.498 -97.404 121.747-129.777
- 96.468 153.317 149.994 -30.752
- 122.779-155.497 159.564-136.567
- 92.744 38.685 142.941-130.959
- 118.276-100.853 153.586-117.433
- 119.635 110.114 154.588-102.899
- 95.130-118.902 135.738-101.278
- 103.797 -8.432 140.664 -75.208
- 95.577 97.694 151.354 -27.625
- 92.652 42.283 0.000 0.000
- 115.054 134.584 153.448 -7.641
- 123.342-102.798 165.389-135.874
- 93.816 29.376 137.805-107.849
- 94.111 54.458 116.413 -76.401
- 93.907 -15.935 146.744 -37.178
- 119.528-122.707 146.650-120.406
- 117.689 97.814 152.321 -19.297
- 113.336 80.686 151.870 -19.747
- 93.442 70.563 100.106-114.650
- 93.175 130.661 116.381 -76.429
- 120.949 -50.247 149.594 -85.624
- 92.848 32.211 115.872 -76.203
- 121.715-113.842 145.250 -83.122
- 94.801 45.569 111.306 -82.786
- 93.757 -80.376 148.368-114.590
- 112.473 -97.805 154.043-129.718
- 92.707 50.218 129.596 -76.307
- 93.553 86.843 132.036 -89.448
- 122.930 -97.372 146.039 -84.555
- 120.201 165.113 148.087 -98.821
- 120.709 -90.516 146.285 -81.795
- 93.217 47.670 145.829 -39.152
- 118.309 -85.795 112.283 -83.790
- 92.858 86.495 143.399-124.798
- 93.021 0.000 129.423 -76.183
- # 71 total E -1.01773E+02 rmsd from N 0.000 %NC 0.00
- 93.794 125.439 137.841 -97.723
- 93.811 53.421 137.810-103.455
- 95.333 1.131 150.242 -31.093
- 121.382 163.374 146.428 -83.116
- 140.257 155.300 109.131 -89.397
- 122.991 113.345 149.247 2.011
- 93.946 95.457 132.043 -86.413
- 121.287 -30.184 164.356-110.220
- 107.184-105.796 150.731 -29.296
- 91.545 74.988 139.523-138.408
- 92.262 80.314 147.713-114.656
- 116.171 -16.510 121.872-131.673
- 94.191 -99.821 143.458-133.256
- 116.799-170.829 155.086 -21.387
- 101.134 -65.579 147.735-136.641
- 96.375 177.819 134.656 -89.832
- 120.308-145.034 154.721-112.244
- 94.781 -4.707 138.098-102.037
- 116.997-148.126 142.142-145.519
- 94.518 49.637 144.100-131.638
- 114.449 8.629 0.000 0.000
- 119.352 63.650 152.284 -4.217
- 109.646 -17.871 140.456 -91.775
- 93.411 68.183 136.675-106.157
- 113.634 -15.992 119.082 -78.867
- 112.099-149.720 152.475-128.114
- 123.850 160.885 151.219-151.120
- 117.056 -17.674 152.540 -19.758
- 117.956-102.225 113.325 -81.999
- 123.337 37.462 120.684-126.276
- 96.032 104.061 116.852 -76.674
- 93.712 27.848 137.701 -95.100
- 118.192-162.194 148.367 -86.192
- 131.412 69.391 148.550 -82.030
- 97.888 11.863 145.037-137.060
- 92.353 60.576 151.347-120.490
- 91.520 37.007 143.879 -44.190
- 92.395 41.408 129.388 -76.210
- 93.144 94.711 130.633 -85.165
- 110.643 50.863 144.672 -85.709
- 93.416 30.709 137.533 -81.860
- 93.904 102.065 137.299 -94.068
- 109.916-121.850 152.630 -28.077
- 122.040 177.993 112.779 -84.094
- 93.466 90.055 143.649-125.891
- 123.459 0.000 146.915 -83.008
- # 72 total E -1.01170E+02 rmsd from N 0.000 %NC 0.00
- 123.138-123.528 151.371-102.275
- 124.814-112.570 150.881 -97.524
- 106.618-170.467 148.323-144.064
- 122.093 106.534 147.235 -86.116
- 116.219 -19.750 146.598 -7.465
- 127.025-128.297 143.913 -7.810
- 93.569-169.935 131.185 -85.313
- 125.632-117.384 164.422-115.659
- 108.570-102.473 152.153-119.020
- 106.932 25.424 144.383-153.038
- 93.081 159.735 147.284-107.769
- 120.697 -76.267 121.215-127.930
- 119.857 64.523 111.896 -83.990
- 93.630 -72.559 150.115-123.162
- 109.422 -92.132 148.893-146.628
- 94.046 61.679 135.552 -93.338
- 93.438 36.327 133.385 -88.003
- 92.775 75.880 137.230 -99.670
- 93.161 83.299 134.414-126.782
- 93.606 35.380 144.032-135.562
- 113.600 -27.931 0.000 0.000
- 122.245-109.322 153.126 -1.833
- 122.449 10.271 164.836-121.228
- 93.990 35.148 137.961-108.688
- 118.087 165.588 119.927 -78.785
- 113.382 66.004 154.098-130.659
- 121.421 -28.694 149.194-117.916
- 95.753 61.482 149.831 -23.382
- 114.816-158.431 111.721 -82.391
- 96.373 -99.889 99.750-111.234
- 95.829 33.161 116.768 -76.836
- 95.526-109.983 135.469-102.114
- 90.359 98.651 116.272 -75.707
- 116.323 46.592 145.699 -83.409
- 93.443 18.854 143.464-132.110
- 108.290 176.998 151.152 -28.869
- 111.776-149.917 155.464-129.468
- 125.319 -69.904 147.216 -82.510
- 96.202 -77.717 133.537 -89.493
- 121.699 48.462 146.649 -83.093
- 93.812 60.581 138.200 -88.285
- 94.027 7.700 137.587 -90.709
- 109.611-149.949 154.025-130.042
- 125.378-174.616 113.017 -84.329
- 106.820-168.184 150.296-138.208
- 125.617 0.000 147.319 -82.922
- # 73 total E -1.00680E+02 rmsd from N 0.000 %NC 0.00
- 93.577 40.012 136.567-100.947
- 121.634-109.877 150.353 -95.088
- 93.443 -28.797 143.859-134.492
- 120.197-113.543 149.237 -87.540
- 117.207 -69.047 149.977 -6.530
- 98.615 15.537 143.751-155.915
- 97.777-104.097 135.355 -83.594
- 90.781 97.759 139.952 -85.050
- 91.984-132.897 148.660-114.772
- 96.781 74.284 140.930-146.270
- 93.597 98.316 149.648-117.959
- 123.394 83.803 119.052-123.357
- 97.305 28.043 111.380 -81.997
- 93.712-176.625 150.594-135.084
- 93.338 62.671 143.567-139.964
- 92.837 53.126 132.611 -90.349
- 93.178 91.456 135.288 -80.759
- 93.110 57.875 139.047-110.375
- 92.375 38.949 140.199-112.044
- 107.528 -52.687 151.747 -26.091
- 118.982-169.425 0.000 0.000
- 122.546-132.617 153.732 -2.692
- 121.157 178.295 165.023-121.079
- 93.814 102.789 137.214-113.555
- 93.759 -85.177 116.093 -76.628
- 92.894 90.506 149.892-122.946
- 111.621 110.185 145.236 -89.281
- 95.218-139.988 143.678-124.672
- 106.893 -99.081 110.466 -82.594
- 119.720-120.972 120.746-128.241
- 93.563 48.676 116.224 -76.705
- 95.197-105.985 138.428-108.851
- 94.666 52.763 116.005 -76.163
- 125.367 -47.857 148.010 -82.313
- 95.401 -83.608 149.731 -32.815
- 92.429 76.169 151.480-129.814
- 93.024 142.614 148.630-116.974
- 126.726-103.568 147.103 -81.781
- 121.875-103.516 153.266-104.422
- 92.988 72.622 129.481 -76.236
- 116.141 -83.274 146.006 -94.246
- 116.857-164.649 146.408 -79.755
- 118.647-126.663 156.681-135.870
- 106.285 178.399 147.799-144.422
- 120.221-160.690 152.513 -19.642
- 125.573 0.000 147.373 -82.751
- # 74 total E -1.00608E+02 rmsd from N 0.000 %NC 0.00
- 123.138-127.559 151.369-101.732
- 123.833-175.443 150.697-102.580
- 114.585 -20.115 152.901 -22.473
- 124.838-170.519 147.630 -83.332
- 128.587 140.042 157.307 168.939
- 108.731 -91.461 147.197-154.239
- 92.732 43.455 132.103 -82.291
- 91.850 58.652 140.088 -86.272
- 91.339 33.239 145.754-108.432
- 103.563-173.070 146.404 -13.955
- 122.389 146.193 156.785-133.162
- 117.224 -18.987 122.073-131.056
- 92.534 174.670 143.374-133.989
- 114.632-127.408 155.414 -22.210
- 116.747 -23.642 153.194 -21.835
- 94.444 65.900 134.171 -90.115
- 116.982 133.433 153.929 -85.312
- 121.277 165.138 152.203 -98.568
- 116.377-151.789 142.879-120.301
- 94.462 105.782 144.482-136.989
- 133.500 -69.301 0.000 0.000
- 126.805 -8.879 159.817 168.846
- 93.031 166.605 140.499 -88.980
- 93.713 23.396 133.167-106.458
- 107.625 -97.699 144.273-102.982
- 121.847 114.697 158.712 -16.440
- 93.871 68.257 140.860 -98.906
- 115.523 -57.364 152.541 -19.794
- 117.443 -69.384 112.983 -83.102
- 96.743 -59.121 99.348-109.937
- 113.086 154.782 145.389 -80.757
- 122.817 -78.189 152.563-139.057
- 113.739 9.569 119.576 -78.445
- 93.376 158.905 129.329 -76.126
- 95.166 36.324 143.988-133.550
- 92.748 46.111 150.175-121.486
- 93.292 136.232 146.043 -38.629
- 125.460 -97.368 147.589 -83.218
- 117.646 -64.903 154.152-107.277
- 92.901 46.988 129.479 -76.241
- 117.412-106.127 147.703 -96.167
- 121.200 -84.941 149.599 -79.420
- 111.077 -79.137 154.444-129.294
- 122.174 -94.101 112.725 -84.185
- 120.314 -75.276 112.574 -82.258
- 93.289 0.000 129.516 -76.263
- # 75 total E -1.00506E+02 rmsd from N 0.000 %NC 0.00
- 93.620 62.021 137.706-103.493
- 118.294 -19.635 152.105 -96.834
- 96.362 176.253 149.692 -28.617
- 121.772-157.891 146.909 -82.812
- 122.855 160.207 150.803-178.856
- 124.006 -27.189 147.626 -2.177
- 94.188 46.302 131.750 -89.593
- 122.985-109.049 163.965-104.869
- 93.969 -23.367 145.710 -41.222
- 103.569 -56.357 143.219-145.274
- 91.501 124.395 146.620-108.557
- 123.098 176.746 119.829-124.674
- 102.374 -27.218 151.146 -28.132
- 102.880 159.571 149.785 -31.297
- 133.736-169.516 113.989 -85.073
- 121.923-144.221 154.423-109.513
- 121.292-103.493 153.999-108.676
- 93.746 49.406 137.654-103.100
- 111.935 -91.379 142.826-118.077
- 93.871 132.594 144.156-134.459
- 95.017 116.163 0.000 0.000
- 120.975 -83.347 153.480 -0.925
- 91.977 56.921 143.004 -88.999
- 93.155 26.320 136.938-105.985
- 94.223 68.465 115.649 -76.259
- 94.302-117.005 146.482 -40.643
- 94.565 117.683 138.739-101.313
- 93.736 10.067 143.890-122.070
- 122.825-118.370 112.902 -82.880
- 119.884-114.164 120.696-128.259
- 92.363 125.539 116.281 -76.331
- 124.340 -15.099 148.709-103.542
- 96.316 -40.869 116.508 -76.836
- 93.372 -36.534 129.399 -76.213
- 91.884 -53.356 143.222-132.798
- 91.558 -70.073 148.659-122.750
- 91.768 101.268 149.437-116.905
- 93.441-173.025 129.439 -76.197
- 120.172 108.532 154.074-113.965
- 123.076-137.201 146.777 -82.834
- 123.424 145.998 152.269-107.672
- 124.812-112.252 152.787-129.824
- 120.932-144.119 156.557 -17.045
- 94.145 26.016 149.483 -32.281
- 107.647-157.354 110.452 -82.426
- 126.050 0.000 147.498 -83.740
- # 76 total E -9.97875E+01 rmsd from N 0.000 %NC 0.00
- 123.181-139.522 151.005-101.236
- 117.854 3.509 152.168 -97.536
- 116.568 -86.471 112.288 -83.569
- 125.865-127.194 147.134 -80.909
- 102.406 -27.540 141.319-148.834
- 106.482 -43.815 144.750-166.496
- 113.180 -3.409 153.887 -99.596
- 93.147 118.109 140.695 -82.861
- 90.312 119.074 148.551-122.469
- 115.163 54.616 100.423 -82.842
- 92.523 121.274 146.704-117.065
- 119.327 80.921 121.284-129.055
- 100.327-163.399 145.454-141.240
- 114.168-179.209 153.597 -24.459
- 94.603 49.378 150.397 -31.726
- 96.444-145.156 133.064 -89.588
- 123.580 170.650 154.927-109.368
- 94.082 -5.516 136.362-102.832
- 105.549 -76.538 134.781 -59.227
- 104.063-121.621 150.489 -28.743
- 93.383 41.896 0.000 0.000
- 117.256-168.797 154.645 -1.565
- 90.591 -63.642 137.782 -90.854
- 93.779 21.592 137.359-106.059
- 116.670 -81.334 120.313 -78.820
- 93.267 130.048 149.824-121.459
- 94.196 68.277 139.042-102.513
- 115.104-140.299 111.532 -82.154
- 118.585-170.856 112.574 -82.264
- 93.304 69.228 99.750-114.531
- 113.510 -71.746 119.561 -78.472
- 123.464 -92.117 150.509-100.231
- 93.735 115.391 116.474 -76.323
- 93.242 -77.602 129.300 -76.145
- 93.407 -32.294 150.230 -30.849
- 105.268-124.270 150.976 -29.689
- 112.536 -97.392 153.903 -24.936
- 129.237-134.406 148.620 -82.767
- 96.008 -71.154 131.887 -95.551
- 92.868 83.565 129.470 -76.239
- 117.533-101.986 145.662 -92.956
- 113.549 118.708 146.521 -84.365
- 92.406 29.931 148.074-117.063
- 111.480-137.082 152.103 -28.686
- 93.101 106.325 143.502-125.515
- 124.159 0.000 146.582 -83.809
- # 77 total E -9.95369E+01 rmsd from N 0.000 %NC 0.00
- 93.616 65.861 137.967-104.061
- 121.637 -93.819 152.687 -94.976
- 112.813 -71.211 152.260 -23.515
- 123.339-161.819 146.904 -82.591
- 116.294 125.005 146.925-161.331
- 95.371 50.344 142.747-157.515
- 114.047 113.564 153.774-103.652
- 123.569-123.879 164.703-115.098
- 92.459 32.412 149.817-115.486
- 102.920 153.384 143.726 -15.628
- 114.552 144.178 153.920 -24.777
- 116.676 -21.873 122.366-131.910
- 96.729 -19.946 150.395 -32.869
- 118.868-170.318 156.590-131.639
- 122.182 112.004 153.292 -20.405
- 94.455 59.471 136.371 -81.774
- 96.996 -99.854 131.378 -80.005
- 93.960-143.096 137.860-103.325
- 119.087 174.798 141.822-104.705
- 99.308 -52.789 145.767-138.948
- 127.834-152.832 0.000 0.000
- 121.149 -9.560 159.947 173.424
- 115.280 -23.764 165.431-133.130
- 93.504 -37.522 137.768-107.769
- 94.576 -33.334 116.580 -76.478
- 92.130 -48.564 148.175-118.087
- 93.565 -43.377 141.352-115.326
- 92.337-115.109 142.988-122.856
- 92.777 56.805 143.617-124.517
- 94.174 108.073 99.579-113.906
- 114.214 -98.846 145.381 -80.934
- 116.179 3.392 152.384 -99.579
- 110.756 159.675 143.735 -77.307
- 93.713-179.734 129.555 -76.257
- 112.415-146.681 151.503 -25.551
- 108.825 144.531 154.380-127.607
- 96.425 -92.179 150.174-125.939
- 127.513 -7.975 147.357 -82.091
- 122.165 111.160 154.357-107.039
- 93.088 -19.958 129.497 -76.210
- 94.697 -75.048 137.698 -93.052
- 93.564 46.637 138.513 -87.088
- 114.958-161.314 156.661-134.447
- 116.257-132.600 152.192 -24.514
- 120.911 -83.019 152.515 -18.469
- 125.192 0.000 147.056 -82.622
- # 78 total E -9.86809E+01 rmsd from N 0.000 %NC 0.00
- 93.761 119.797 137.719-103.308
- 123.390-133.228 151.210 -97.563
- 116.724 176.143 151.618 -21.344
- 116.111 85.609 146.687 -83.227
- 135.273 -90.085 105.723 -85.408
- 94.249 65.699 141.002-159.829
- 120.607-120.087 152.347 -88.107
- 90.199 -50.139 140.117 -84.822
- 105.810 -69.350 150.768 -30.301
- 109.049 20.087 145.292-153.925
- 93.128 -84.536 148.797-112.671
- 94.310 134.013 100.267-111.976
- 116.926 154.167 112.649 -84.299
- 110.269 -58.215 154.192-131.756
- 95.140 5.975 111.356 -83.268
- 116.777 116.431 154.456-105.578
- 120.510-120.413 153.809-101.122
- 122.556-148.174 152.487 -80.707
- 112.316 -9.040 142.789-137.361
- 94.001 -61.470 110.547 -83.255
- 92.611 2.362 0.000 0.000
- 123.147 143.116 157.781 173.099
- 91.552 62.432 140.034 -88.133
- 92.974 37.500 136.931-105.801
- 92.752-178.150 115.953 -75.768
- 111.564 -60.526 153.668 -25.128
- 93.925 66.132 140.460-111.675
- 92.338 36.095 143.029-124.964
- 93.757 141.414 143.753-124.556
- 93.286 84.964 99.845-114.321
- 93.162 86.851 116.380 -76.396
- 93.540 18.853 137.217-100.972
- 106.805-137.214 118.362 -77.490
- 92.925 77.467 129.509 -76.244
- 114.828 -61.865 111.051 -82.835
- 91.802 -54.377 147.826-114.796
- 105.296 -38.535 152.865-126.215
- 122.490 32.463 145.674 -83.026
- 97.171-152.026 132.226 -87.600
- 120.660 53.804 146.889 -83.560
- 93.819 17.337 137.292 -83.471
- 116.291 152.017 144.347 -98.553
- 115.801-164.054 156.536-133.071
- 109.995 134.144 152.058 -24.631
- 93.596 92.029 143.526-125.098
- 123.653 0.000 147.034 -83.365
- # 79 total E -9.83820E+01 rmsd from N 0.000 %NC 0.00
- 93.629 109.414 135.591 -95.327
- 122.757 129.764 152.828 -97.288
- 114.752 -27.628 152.561 -22.836
- 93.023 61.696 129.520 -76.280
- 94.737 133.276 140.690-140.413
- 91.314 57.764 123.535 -32.474
- 92.992 9.060 131.464 -86.936
- 119.333 134.885 164.130 -95.052
- 94.571-166.666 149.687-111.870
- 105.043 -33.999 143.097-146.312
- 92.945 -67.574 147.869-116.727
- 116.988 101.774 121.841-131.215
- 92.940 61.499 149.327 -33.173
- 91.255 47.740 145.267-116.904
- 94.062 38.460 111.110 -83.864
- 95.944 156.760 133.516 -87.895
- 124.328-177.063 154.842 -91.245
- 115.963 -33.393 148.219 -81.119
- 104.809 -23.313 141.341-113.488
- 95.256 -44.740 143.601-133.975
- 94.347 167.300 0.000 0.000
- 132.082-156.586 158.602 167.337
- 120.308 -87.729 165.371-119.798
- 93.628 38.672 136.234-106.116
- 93.539 60.747 116.207 -76.346
- 92.800 127.343 147.359-114.119
- 124.507-148.423 151.910-133.087
- 96.555 -9.689 110.013 -83.471
- 96.836 -93.758 145.541-127.362
- 119.100-110.308 121.511-129.983
- 119.811-117.738 121.128 -79.408
- 94.007 14.274 137.660-103.758
- 111.752-160.225 144.097 -78.500
- 127.126-165.297 147.745 -82.591
- 130.180 -96.154 113.015 -84.516
- 108.490 176.548 151.443 -28.118
- 112.821-168.691 154.298-131.348
- 125.958 -95.851 147.453 -82.751
- 118.986 163.933 154.413-111.474
- 126.954 -84.222 146.887 -83.084
- 93.992 138.645 137.815 -93.901
- 125.333-162.895 144.777-122.721
- 115.494-132.912 154.497 -22.499
- 94.120 128.103 144.080-136.204
- 122.026 -30.344 112.202 -82.322
- 93.109 0.000 129.483 -76.231
- # 80 total E -9.71254E+01 rmsd from N 0.000 %NC 0.00
- 94.729 -90.672 135.966-100.674
- 94.268 -45.475 136.409 -99.607
- 94.955 126.477 149.408 -29.686
- 122.789 -79.049 148.629 -86.509
- 120.161-130.705 146.139 -8.229
- 125.403 -54.753 103.252 -82.943
- 93.704 88.838 131.175 -86.753
- 122.477-158.335 164.306-110.934
- 95.073 -2.019 150.713-113.137
- 119.364 58.054 145.667 -8.555
- 92.294 168.601 149.046-114.005
- 94.903-167.198 100.112-109.376
- 91.042 153.353 142.708-136.664
- 109.194-142.493 151.839-129.804
- 94.508 93.602 143.938-136.036
- 120.246 -29.095 153.764-109.772
- 120.541 -11.553 154.167 -99.719
- 118.500 -57.950 151.447-109.162
- 92.697 32.964 131.399 -38.507
- 125.723-102.573 112.688 -83.805
- 107.521-104.500 0.000 0.000
- 121.283 79.869 158.112 174.214
- 90.822 113.809 138.714 -88.069
- 117.034 35.856 149.013-124.517
- 92.296 -56.303 116.092 -76.619
- 108.750 -94.266 154.961-130.869
- 94.390 46.245 138.982-107.904
- 95.782 100.034 110.259 -83.717
- 112.868 -78.750 155.417-145.390
- 94.103 83.453 99.688-114.450
- 93.722 32.407 116.339 -76.050
- 94.235 59.883 142.603-124.174
- 91.175 105.395 116.300 -75.929
- 93.576-108.640 129.292 -76.166
- 93.292 69.663 110.964 -82.829
- 92.462 170.090 148.533-116.376
- 118.113-130.679 157.134-138.119
- 121.787 82.553 146.610 -83.632
- 94.056 55.199 132.702 -89.807
- 125.246-169.873 146.859 -82.556
- 108.581 16.972 145.454 -78.706
- 93.654 60.565 137.404 -93.195
- 91.990 28.165 148.415-117.675
- 109.104 179.743 151.844 -25.755
- 119.917 -64.361 112.448 -82.483
- 93.227 0.000 129.502 -76.261
- # 81 total E -9.63256E+01 rmsd from N 0.000 %NC 0.00
- 93.634 76.421 138.366-102.743
- 93.640 64.800 139.881-110.163
- 92.642 13.979 143.688-133.935
- 117.531-166.485 145.989 -81.862
- 116.728 -17.621 150.125-174.691
- 120.793 160.748 148.413 178.027
- 116.286 113.560 153.111-100.321
- 124.387-136.878 162.871 -94.975
- 106.633 -7.329 154.268-122.483
- 110.148 55.849 145.321-153.909
- 93.906-141.981 146.494 -37.998
- 120.138-101.551 121.298-128.595
- 94.718 14.980 144.246-135.758
- 108.037-153.351 152.360-125.204
- 93.225 108.556 143.677-137.988
- 95.866 -13.589 132.445 -96.432
- 95.893 -72.866 134.862 -87.053
- 93.522 1.571 138.541-102.497
- 112.879 169.423 146.131-178.786
- 114.642 -22.017 152.472 -22.786
- 123.929 -19.017 0.000 0.000
- 129.930 -75.990 159.237 168.864
- 121.866-129.800 164.691-124.702
- 128.619-141.611 147.821 -89.671
- 118.538-149.316 120.372 -79.031
- 115.657 159.831 157.414-135.824
- 94.090 32.955 139.066-102.514
- 115.444 160.324 151.583 -20.374
- 118.388-158.404 112.848 -82.607
- 120.049 4.064 121.896-129.994
- 94.921 -64.105 116.630 -76.549
- 122.050 163.259 151.468-100.223
- 115.655-142.231 119.980 -78.336
- 116.523 -10.937 146.350 -83.219
- 94.407 123.818 149.863 -29.491
- 108.803-167.035 151.890 -28.277
- 107.558 153.102 152.460 -28.281
- 124.645 -93.302 146.768 -83.721
- 95.258 -64.294 133.437 -89.335
- 123.320-165.380 146.895 -83.020
- 120.759 117.334 146.836-103.771
- 118.270 -89.542 148.340 -90.903
- 92.269 32.452 148.764-117.539
- 111.330 -80.202 152.379 -24.420
- 117.343-170.625 112.048 -82.353
- 93.369 0.000 129.506 -76.273
- # 82 total E -9.58684E+01 rmsd from N 0.000 %NC 0.00
- 93.613 60.493 137.688-103.606
- 123.271-112.354 149.188 -97.467
- 95.032 -29.597 149.665 -31.473
- 110.473 -36.293 146.077 -85.165
- 105.822 -16.972 147.596 -10.180
- 102.034 -36.948 144.594-162.635
- 93.887 -43.058 131.445 -87.663
- 91.922-130.454 142.196 -87.354
- 121.729 -24.048 158.329 -16.190
- 122.751 14.529 147.028 -8.705
- 93.297 -72.825 148.692-117.451
- 122.078 -19.949 120.601-126.490
- 96.361 104.724 150.427 -29.776
- 92.332 162.763 149.825-130.547
- 111.059 131.467 149.160-146.764
- 95.806 -76.065 133.679 -92.001
- 94.148 25.934 134.491 -89.399
- 119.290-154.563 151.992 -95.136
- 119.050-174.602 148.187-122.888
- 104.941-118.512 147.657-143.138
- 137.300 -99.174 0.000 0.000
- 138.016-175.750 111.525 -91.978
- 115.560 130.154 139.657 -92.868
- 93.959 17.356 138.380-112.444
- 96.667-158.142 117.265 -76.614
- 93.724 65.006 146.166 -39.049
- 93.872 2.548 137.709 -86.346
- 113.119 74.083 112.155 -83.106
- 93.264 113.182 143.921-121.328
- 93.351 57.455 99.449-114.272
- 120.799 -24.440 121.309 -79.149
- 126.966 -24.310 148.212 -91.001
- 111.588 -75.292 119.142 -78.322
- 93.015 82.093 129.399 -76.194
- 106.711-171.729 147.919-143.402
- 111.304-101.773 154.327-131.302
- 122.175 168.289 160.243-140.729
- 113.266 -51.095 145.733 -83.487
- 93.950 14.333 132.866 -89.127
- 124.442 124.119 147.204 -83.092
- 125.510-120.650 154.137-107.314
- 94.396 108.245 137.977 -91.101
- 107.462-104.792 152.184 -28.418
- 117.213 -57.079 153.232 -21.071
- 94.018-174.623 143.837-125.121
- 125.254 0.000 146.661 -82.619
- # 83 total E -9.57824E+01 rmsd from N 0.000 %NC 0.00
- 120.509 -28.973 151.606 -98.928
- 95.261-151.150 137.585-100.676
- 93.971 65.407 144.148-135.439
- 93.131 166.303 129.550 -76.254
- 114.752 122.515 147.010-160.449
- 113.907 149.157 148.044-170.604
- 93.974 32.924 131.959 -85.932
- 122.764 120.608 163.589-100.984
- 92.131-123.976 147.877-110.631
- 105.930 -26.380 144.159-152.655
- 92.700 95.598 150.891-116.118
- 121.335 -24.565 120.712-127.232
- 95.822 167.381 150.088 -31.604
- 116.696-138.304 156.364-128.416
- 93.324 125.510 142.542-133.907
- 123.755-167.279 153.277-114.865
- 96.363-179.440 134.634 -88.844
- 124.042 -99.281 149.982 -85.310
- 101.644 -13.047 135.752 -97.628
- 95.202 117.009 150.103 -31.739
- 124.137-176.999 0.000 0.000
- 121.266 -95.014 153.097 -2.287
- 92.180 42.054 142.413 -88.168
- 93.095 56.471 137.136-108.337
- 92.749 89.587 115.739 -76.250
- 92.001 54.413 150.025-116.435
- 93.736 31.813 138.738 -89.835
- 94.797-167.770 144.192-126.777
- 120.840 -91.561 112.749 -82.287
- 119.535-158.012 121.700-130.046
- 93.320 54.382 116.414 -76.435
- 93.626 61.369 137.142-103.705
- 113.164-162.398 144.506 -78.530
- 124.301 -85.808 146.102 -83.227
- 94.047 -44.622 143.885-134.726
- 92.506 100.161 149.317-121.336
- 94.034-165.273 149.201-115.158
- 125.733-116.220 146.795 -82.346
- 94.975 6.103 133.515 -88.784
- 115.856 88.857 146.089 -83.442
- 118.895 -94.180 144.488 -87.883
- 93.394 112.332 138.456 -92.779
- 92.941 -75.261 145.616-112.074
- 112.459 -90.329 152.344 -24.494
- 117.870-151.492 151.990 -19.392
- 125.906 0.000 146.998 -83.692
- # 84 total E -9.56751E+01 rmsd from N 0.000 %NC 0.00
- 119.489 6.361 151.910 -85.868
- 95.489-152.545 137.384-105.665
- 94.152 73.786 144.123-134.942
- 93.037 -63.457 129.311 -76.138
- 117.676-107.235 151.982-172.370
- 120.945 159.322 150.429 1.430
- 95.576 -36.280 131.412 -90.528
- 114.278 -54.865 168.117-130.884
- 90.802 87.059 150.522-127.095
- 125.844-101.349 101.172 -85.230
- 120.116-123.565 158.111-134.331
- 92.212 64.127 99.805-112.890
- 92.883 98.587 110.255 -83.217
- 91.763 80.735 146.673-115.814
- 120.646 144.873 112.797 -84.524
- 123.958 -96.895 154.692-113.818
- 94.616 101.981 134.278 -88.388
- 94.562 -81.057 137.767-102.898
- 94.532 123.783 136.327 -72.349
- 123.159 170.324 113.186 -83.472
- 131.317 -78.939 0.000 0.000
- 125.805 -16.948 157.996 172.256
- 119.730 3.639 165.062-128.193
- 92.911 68.326 137.489-105.814
- 90.113 79.865 114.947 -75.903
- 92.359 72.886 148.725-125.381
- 117.839-114.337 148.189-114.685
- 118.689-177.727 152.519 -18.871
- 118.025 -91.929 152.593 -19.678
- 119.139-106.677 121.584-129.927
- 116.319 -98.035 146.725 -80.037
- 124.739-158.674 151.543 -81.080
- 109.222 -66.367 118.862 -77.911
- 92.813 84.881 129.473 -76.232
- 98.548-107.231 145.136-137.904
- 117.411-174.188 156.427-134.818
- 108.042 176.703 151.396 -29.153
- 127.005-128.684 147.866 -83.142
- 123.660-141.396 153.984-104.965
- 126.553-150.349 147.298 -82.781
- 122.631-172.019 149.825 -99.582
- 123.186-103.012 148.821 -83.692
- 116.274-162.387 155.774-130.825
- 107.852 -17.360 151.102 -26.519
- 93.963 74.357 109.461 -83.513
- 93.026 0.000 129.443 -76.256
- # 85 total E -9.53993E+01 rmsd from N 0.000 %NC 0.00
- 121.021 137.535 149.737 -78.512
- 122.444-169.662 152.289-122.459
- 126.339 141.974 113.011 -84.271
- 119.798 94.818 146.736 -87.631
- 98.015 35.536 147.449 -11.550
- 122.580-134.963 146.215 -1.347
- 116.943 18.334 153.797 -95.442
- 92.095 50.791 141.089 -86.456
- 91.521 38.745 150.064-119.575
- 109.363 141.132 143.555-141.212
- 106.139-102.788 154.433-118.363
- 92.729 57.217 100.360-112.354
- 91.760 70.543 142.811-134.463
- 91.727 47.574 146.820-115.804
- 94.916 142.063 150.168 -32.658
- 121.771 108.877 154.054-109.858
- 95.420-178.405 134.258 -88.671
- 129.145-164.280 149.292 -99.894
- 101.024 23.511 140.024 -94.226
- 119.289 -66.447 112.400 -83.147
- 95.367 145.100 0.000 0.000
- 120.124 3.745 153.195 -2.063
- 93.395 46.576 139.364 -87.975
- 93.843 71.562 137.980-105.316
- 93.221 -59.625 115.976 -76.731
- 109.946 -83.794 152.419 -26.860
- 93.724 103.805 138.600 -98.924
- 117.653-111.280 112.042 -83.217
- 124.615 173.574 112.804 -82.163
- 93.210 56.513 99.917-113.302
- 93.417 43.455 116.168 -76.414
- 93.600 102.729 139.538-112.318
- 108.630 -77.296 118.612 -78.348
- 126.471-119.596 146.728 -81.897
- 100.194-159.710 146.534-140.358
- 118.464 170.776 155.140-130.390
- 93.203 47.685 146.161 -38.877
- 92.926 16.476 129.401 -76.168
- 117.500-120.781 152.907 -96.276
- 127.052-142.575 147.778 -82.823
- 124.424-120.634 144.128 -86.780
- 93.862 104.291 138.053 -91.536
- 109.238-159.833 152.813-125.193
- 93.978 55.782 143.744-135.470
- 93.452 63.453 143.531-124.858
- 93.008 0.000 129.455 -76.225
- # 86 total E -9.44565E+01 rmsd from N 0.000 %NC 0.00
- 121.775 160.317 151.459 -92.597
- 93.730 59.072 138.639-105.095
- 94.204 3.888 150.023 -31.562
- 118.626-156.432 147.232 -82.669
- 124.136-134.224 150.918-176.126
- 92.913 44.325 143.018-157.863
- 92.918 60.590 130.539 -87.643
- 119.610-110.978 163.643-103.761
- 100.547 135.705 153.302-121.933
- 107.068 -0.815 142.118-145.663
- 93.004 -60.791 148.237-115.225
- 120.016-165.456 120.587-127.756
- 105.392 164.713 146.928-146.017
- 113.629-150.698 154.274 -23.730
- 112.639 -62.922 152.714 -23.636
- 118.175 178.637 155.282-109.389
- 96.217 -37.859 131.993 -96.036
- 95.366-163.687 138.104-104.501
- 112.735 173.329 136.372 -61.652
- 94.101 29.702 144.120-134.731
- 120.149 -57.189 0.000 0.000
- 124.634 155.268 158.468 175.990
- 92.522 48.897 141.648 -90.178
- 93.348 18.857 137.313-102.617
- 115.005 134.956 145.171 -74.306
- 92.842 56.035 148.004-114.383
- 94.540 7.592 138.778 -99.306
- 118.286-138.875 152.159 -20.569
- 117.682-114.003 112.573 -82.527
- 119.409-130.150 121.548-129.893
- 119.151-109.670 120.863 -79.471
- 93.996 14.539 137.677-104.001
- 107.624 -85.896 118.604 -77.763
- 122.502 132.531 147.237 -82.208
- 93.494 75.109 143.519-134.423
- 91.900 -69.859 146.920-113.940
- 106.690 -95.976 150.909 -29.658
- 93.159 13.798 129.544 -76.238
- 96.710-175.329 133.685 -89.143
- 127.307 -17.032 147.422 -83.459
- 123.833-110.458 149.186-107.141
- 121.953-119.404 149.474 -91.636
- 113.678 166.340 153.802 -24.230
- 96.532 43.660 150.782 -32.198
- 121.075-141.911 152.653 -17.868
- 125.819 0.000 147.419 -83.252
- # 87 total E -9.33240E+01 rmsd from N 0.000 %NC 0.00
- 93.604 59.136 137.616-103.487
- 123.580-119.717 151.098 -95.089
- 114.014-169.536 152.220 -23.394
- 120.593 70.916 147.224 -83.944
- 117.677-174.709 149.539-172.968
- 130.458 111.793 104.875 -83.502
- 95.902 19.653 132.628 -86.358
- 125.570 -25.462 163.953-102.210
- 91.768 -68.403 147.683-120.860
- 97.261 25.488 145.664 -17.173
- 102.870 -77.033 152.340 -32.659
- 115.781 -13.595 123.105-132.785
- 92.642-165.881 143.631-140.771
- 92.498 72.203 148.924-121.812
- 92.375 58.700 150.100 -32.693
- 93.743 86.848 130.945 -89.179
- 123.479-110.427 152.120 -74.760
- 94.060 -99.136 137.097-102.884
- 94.477 35.417 140.241-107.629
- 96.515 101.459 144.908-134.978
- 141.725 -99.319 0.000 0.000
- 126.695 164.129 159.436 174.205
- 92.467 35.986 141.526 -90.643
- 93.811-117.254 136.908 -96.143
- 92.916 58.391 116.468 -76.361
- 119.196 159.774 158.225-138.943
- 93.858 94.932 139.772 -92.987
- 113.508-142.072 111.261 -82.952
- 120.631 137.725 112.825 -82.419
- 94.160-102.610 99.681-113.827
- 92.010 54.211 116.177 -76.262
- 93.589 104.099 137.035-104.197
- 94.113 101.260 116.289 -75.990
- 116.993 24.153 146.533 -83.390
- 110.964 -58.341 152.011 -23.900
- 92.494 112.576 149.585-120.351
- 93.305 15.751 145.627 -39.409
- 120.444 167.159 146.081 -82.581
- 122.859 145.471 155.748-114.328
- 126.301-166.526 147.439 -82.916
- 123.472-138.879 151.233 -93.141
- 93.974 108.674 138.072 -90.806
- 92.420 -73.733 147.501-117.903
- 93.461 -35.512 143.608-134.989
- 94.531 -11.355 109.448 -83.010
- 123.881 0.000 146.787 -83.609
- # 88 total E -9.29432E+01 rmsd from N 0.000 %NC 0.00
- 121.786 160.947 151.476 -92.421
- 93.673 52.699 136.824 -97.824
- 95.327 23.380 150.419 -32.105
- 115.458 13.982 145.918 -83.794
- 122.248-177.453 154.131 179.729
- 113.663 -7.819 150.556 -1.129
- 94.127 -50.676 132.826 -86.294
- 92.799 163.813 138.808 -83.455
- 111.652-179.862 153.113-118.113
- 109.988 26.492 101.491 -80.737
- 92.060 169.738 146.607-107.287
- 123.720-126.968 119.556-123.785
- 100.317-164.762 111.926 -83.463
- 93.376 75.457 149.069-128.171
- 93.448 103.188 143.605-134.987
- 94.291 26.057 131.008 -86.735
- 122.003-114.745 155.543-117.946
- 125.188 -15.245 149.418 -80.427
- 118.515 -5.645 142.344-108.572
- 94.989 124.088 143.204-133.331
- 134.998 -82.192 0.000 0.000
- 124.668-130.458 157.104 177.054
- 95.721 6.551 140.257 -90.566
- 96.148-125.224 137.437-101.029
- 91.080 122.525 116.164 -76.103
- 92.755 55.880 146.977-113.975
- 118.789-138.062 148.398-107.426
- 114.167 115.015 151.985 -20.023
- 117.134 44.358 152.116 -20.162
- 120.915-106.225 120.899-128.016
- 118.417-117.352 146.574 -78.527
- 93.927 101.756 137.766-104.086
- 118.415-147.738 120.300 -78.776
- 112.555 28.817 145.810 -84.025
- 92.239 43.546 110.953 -82.704
- 91.137 46.809 148.821-115.364
- 91.490 46.590 144.609 -41.488
- 92.708 56.712 129.367 -76.159
- 95.941 -95.187 131.945 -89.683
- 122.592 1.523 146.762 -82.950
- 117.541 -70.607 147.402 -95.511
- 120.303 178.795 149.775 -85.665
- 111.956-158.478 152.592 -25.763
- 93.234 58.054 143.676-135.510
- 93.251 121.049 143.178-124.203
- 124.022 0.000 146.886 -82.557
- # 89 total E -9.20145E+01 rmsd from N 0.000 %NC 0.00
- 123.218-123.357 151.283-101.045
- 121.929 137.930 151.660 -97.211
- 93.402 54.360 144.169-134.207
- 92.522 52.492 129.875 -76.612
- 95.752 68.803 143.225 -17.162
- 109.391 -12.737 143.864-165.805
- 94.007 53.384 130.665 -86.617
- 120.333 27.760 165.168-113.162
- 93.201-155.036 147.687-116.151
- 101.897 151.821 142.357-146.935
- 94.627 -46.406 148.444 -38.572
- 96.816-175.366 100.038-103.370
- 93.947 37.580 144.400-133.743
- 92.985 55.742 149.144-120.279
- 93.920 11.570 143.309-133.680
- 115.399 131.361 153.759-103.379
- 125.889-164.734 154.838-125.656
- 117.093 142.454 152.315 -97.360
- 108.611 -12.652 141.009-128.575
- 93.747 -61.877 110.648 -83.082
- 92.666 24.489 0.000 0.000
- 118.638 -93.431 153.332 -4.192
- 92.340 -24.963 140.388 -85.823
- 94.970 -77.966 136.727-108.617
- 92.957 40.977 116.352 -76.331
- 110.236-103.915 152.646 -26.464
- 120.424 -22.587 149.984-122.057
- 93.601 135.442 143.724-127.964
- 118.675 45.228 152.054 -19.609
- 95.011 -81.720 100.137-112.647
- 111.414 -69.416 119.301 -78.303
- 93.420 76.972 137.602-102.370
- 93.139-114.785 116.197 -76.302
- 125.661-179.876 146.753 -82.334
- 94.469 75.792 149.906 -31.981
- 91.803 -92.296 147.112-117.529
- 93.698 113.276 146.539 -37.912
- 126.505-131.415 146.935 -83.049
- 120.464-144.256 154.249-107.221
- 127.374-179.940 147.520 -83.456
- 123.217-126.395 149.529-101.592
- 123.197-108.698 149.268 -81.874
- 117.459-102.408 156.256-130.069
- 119.471 -91.481 112.102 -83.757
- 93.980 52.059 109.330 -83.016
- 93.010 0.000 129.459 -76.220
- # 90 total E -9.06072E+01 rmsd from N 0.000 %NC 0.00
- 120.431 144.647 151.816 -99.144
- 94.454 -19.542 138.078-104.116
- 119.268 5.373 111.842 -83.565
- 123.863-113.688 146.379 -82.922
- 92.895 71.165 141.552-147.447
- 122.508 -38.552 102.289 -84.638
- 95.543 -90.644 133.297 -84.180
- 96.078 -88.647 139.379 -84.770
- 109.598-145.492 155.440-125.668
- 111.407 -59.507 144.792-156.264
- 92.972 54.991 147.339 -38.597
- 119.349 -94.903 120.687-128.040
- 107.409-169.515 151.415 -23.023
- 111.714 163.453 153.111-130.382
- 130.493 136.513 113.876 -85.208
- 120.704-165.531 154.450-107.528
- 123.982-113.664 154.452 -90.189
- 94.564 154.311 137.107-104.454
- 111.436 38.491 143.297-122.486
- 93.720 42.147 144.037-134.659
- 94.724 24.577 0.000 0.000
- 123.251 140.041 157.078 177.356
- 92.273 60.535 141.916 -88.602
- 93.243 36.177 136.877-105.240
- 91.200 52.145 116.155 -75.762
- 91.286 36.778 147.936-116.761
- 93.949 87.138 140.170-116.926
- 94.306 -60.314 143.479-124.993
- 94.998 112.324 144.472-126.251
- 119.176 -59.534 121.233-129.438
- 112.564 -87.618 144.265 -76.421
- 120.415-125.320 151.581-117.520
- 116.705 163.416 147.790 -81.941
- 125.516-118.841 146.978 -82.010
- 94.568 36.885 111.165 -82.889
- 108.582-166.870 151.899 -28.217
- 106.238 173.407 150.692 -29.679
- 122.298 -5.068 147.139 -84.109
- 119.413-120.906 153.885-108.106
- 119.347 81.351 146.940 -83.012
- 93.860 7.223 137.388 -87.223
- 119.058-109.890 148.158-105.210
- 109.983 -72.100 152.921 -26.810
- 94.503 -51.691 144.033-133.744
- 93.516 114.888 143.688-125.421
- 123.971 0.000 146.870 -82.915
- # 91 total E -8.97495E+01 rmsd from N 0.000 %NC 0.00
- 93.607 42.479 137.459-104.642
- 94.194 -64.615 135.245 -93.024
- 104.156-113.510 147.284-141.781
- 126.968-162.986 147.137 -81.393
- 140.572 -82.668 109.897 -87.834
- 90.602 -85.591 123.738 -30.326
- 94.957 148.415 134.733 -92.992
- 99.972 169.671 140.138 -86.449
- 112.424-134.819 151.526 -25.518
- 91.624 62.990 138.062-141.450
- 92.224-113.200 147.314-107.507
- 122.458 4.951 120.896-126.649
- 97.246 -48.968 150.366 -29.853
- 107.336 -12.245 151.331 -29.100
- 123.234-123.566 113.238 -84.341
- 123.433-110.980 153.321-102.080
- 93.889 67.408 133.864 -88.866
- 93.527 43.603 137.666-102.593
- 102.552 171.080 137.447 -42.010
- 119.207 5.235 112.651 -83.844
- 94.985 112.103 0.000 0.000
- 119.843 -81.162 152.800 -2.824
- 96.264 -83.595 140.330 -88.195
- 94.249 -24.337 138.793-109.805
- 104.665 -74.968 118.222 -77.407
- 92.393 78.103 148.354-117.528
- 116.668-112.561 144.860-119.813
- 92.435 -13.418 143.384-126.210
- 115.357-135.536 151.828 -21.080
- 122.688 101.767 120.246-126.074
- 93.925 -44.140 117.230 -76.455
- 94.459 -48.042 137.539-104.703
- 93.595 128.779 116.420 -76.251
- 126.320-144.839 148.698 -83.479
- 136.861-103.717 113.438 -84.855
- 105.010 117.329 153.340-124.268
- 92.551 84.567 148.409-117.121
- 120.373 -32.646 145.521 -84.495
- 121.092-127.944 153.454 -91.553
- 93.168 99.195 129.505 -76.263
- 119.092 173.346 145.672 -98.990
- 121.895 -19.037 152.185 -94.308
- 110.022-115.018 153.962-130.211
- 114.698-107.354 152.830 -22.843
- 119.484-161.234 152.137 -19.189
- 125.576 0.000 147.365 -82.810
- # 92 total E -8.92539E+01 rmsd from N 0.000 %NC 0.00
- 93.645 57.543 138.396-106.169
- 94.292 -28.322 137.697-103.425
- 112.819 23.285 152.231 -23.615
- 126.575-139.271 147.587 -81.742
- 120.198-177.324 154.323-177.444
- 93.959 67.774 144.363-160.404
- 92.587 7.608 130.353 -87.611
- 116.815 122.734 164.026 -91.089
- 103.707-135.277 152.732-120.989
- 106.751 -20.191 146.575 -15.906
- 91.362 87.710 145.968 -99.591
- 122.537 168.827 120.297-126.046
- 103.483 2.897 112.303 -83.201
- 93.354 120.125 148.043-117.572
- 114.866-118.898 152.241-148.650
- 94.350 84.242 133.194 -91.994
- 96.020 154.163 134.027 -86.815
- 94.190 116.117 136.973 -96.291
- 117.754 -97.469 143.789-119.319
- 113.449 43.929 153.305 -22.463
- 148.525 122.187 0.000 0.000
- 140.737 -74.111 111.656 -88.994
- 107.769-143.173 140.120 -89.160
- 125.901-171.914 151.567-107.759
- 92.372 133.127 116.172 -76.363
- 92.825 73.612 147.573-113.779
- 118.424 -23.245 148.130-113.652
- 94.274 85.470 110.141 -83.642
- 93.217 -70.635 143.710-123.488
- 121.366 136.486 121.101-128.029
- 93.760 38.505 116.291 -76.347
- 93.506 48.116 137.353-103.878
- 92.559 32.138 116.038 -76.206
- 125.821-163.800 146.481 -82.067
- 92.533 46.581 143.452-133.598
- 92.351 167.597 151.066-127.724
- 93.753 57.786 146.147 -40.741
- 93.059 156.658 129.393 -76.175
- 120.175 109.735 153.191-119.667
- 124.636-107.262 147.165 -83.002
- 123.033-138.292 149.699-100.267
- 123.665-105.871 149.232 -87.979
- 111.619-177.832 152.613 -25.802
- 110.508 129.214 152.337 -24.677
- 121.354-135.733 112.620 -82.645
- 125.543 0.000 147.364 -82.776
- # 93 total E -8.76338E+01 rmsd from N 0.000 %NC 0.00
- 93.579 46.490 137.074-102.497
- 124.333-125.009 149.362 -77.592
- 97.651 -60.455 144.463-135.378
- 92.715 90.506 129.532 -76.220
- 141.487 170.168 108.112 -91.028
- 123.541-134.494 150.686 1.500
- 97.593 165.354 133.452 -81.716
- 103.808-171.728 140.173 -83.153
- 92.528 76.802 149.923-117.636
- 127.316 94.253 103.437 -82.220
- 92.520 -77.739 148.312-116.927
- 94.772 -50.255 99.504-109.763
- 93.319 107.767 149.925 -31.496
- 92.281 70.331 145.543-107.378
- 133.603 127.320 113.719 -85.896
- 93.958 31.756 133.919 -91.236
- 95.363 110.810 135.787 -84.381
- 123.511-131.739 154.285-149.348
- 129.460-153.307 143.293-162.735
- 93.348 53.726 142.792-119.564
- 96.429 167.301 0.000 0.000
- 118.457 1.229 159.764 176.724
- 91.018 90.921 138.590 -90.108
- 95.084 -38.111 135.469-106.600
- 96.501 81.375 116.780 -76.551
- 92.713 155.779 150.866-122.715
- 93.963 50.337 141.502-118.628
- 109.538 163.288 151.232 -21.259
- 122.640-130.214 113.723 -82.204
- 93.324 68.642 99.616-116.092
- 93.540 18.406 116.218 -76.320
- 124.839-127.844 147.037 -71.523
- 90.578 11.921 115.713 -75.966
- 116.815-120.376 145.649 -82.862
- 92.929 59.163 144.177-136.865
- 92.749 74.939 146.146 -39.118
- 91.903 161.286 146.870-111.040
- 127.593-157.977 147.290 -82.427
- 120.117 -94.917 154.188-106.218
- 124.857 -98.881 147.662 -83.056
- 95.226 -56.668 138.934 -91.417
- 123.813 -9.561 148.937 -93.165
- 93.611 114.693 149.164-119.539
- 127.172-106.888 112.973 -83.751
- 117.444-177.743 151.920 -19.556
- 125.821 0.000 147.561 -83.359
- # 94 total E -8.59594E+01 rmsd from N 0.000 %NC 0.00
- 123.117-125.160 151.413-102.408
- 125.316-151.056 149.067 -70.391
- 103.453-158.681 147.495-142.371
- 119.959 35.419 146.946 -83.315
- 93.766 35.308 133.056-126.944
- 100.944 28.714 153.998 3.266
- 93.736 26.184 132.996 -83.599
- 120.631 153.149 163.391 -96.483
- 94.881 -93.683 151.584-118.652
- 123.404 -89.030 146.294 -6.473
- 107.441 -81.923 151.002-120.943
- 117.002 12.149 122.030-131.484
- 92.470 84.515 143.279-133.663
- 105.929-167.283 152.204-130.869
- 96.556 80.898 144.630-138.068
- 123.859 119.947 155.062-107.937
- 122.283 120.381 153.185 -68.768
- 94.507 -74.225 138.674-102.108
- 93.341 130.992 141.671-123.907
- 114.251-114.939 151.122 -25.632
- 93.536 96.001 0.000 0.000
- 123.506 133.728 157.112-179.793
- 119.519-107.186 164.727-109.807
- 93.196 32.698 137.034-107.630
- 92.153 58.721 115.822 -76.394
- 93.431 97.203 144.784 -40.285
- 128.077-154.839 154.667 -96.644
- 112.958 -84.827 111.140 -83.152
- 117.238 147.515 112.342 -82.330
- 120.712 160.264 120.732-127.808
- 93.788 46.844 116.441 -76.439
- 93.824 34.101 137.436-103.894
- 115.162 -82.925 144.951 -76.412
- 122.777 -72.016 145.845 -81.454
- 93.397 -18.602 143.784-135.235
- 94.654 -91.443 148.449-114.438
- 92.227 96.660 149.847-122.696
- 122.211 -95.672 145.895 -83.038
- 120.881-138.433 154.434-102.971
- 93.955 161.746 129.569 -76.294
- 122.626-122.639 149.235 -98.781
- 124.991 -97.895 148.539 -79.254
- 109.014 -93.234 152.628-123.552
- 92.948 -21.222 143.218-134.231
- 114.620-171.697 151.439 -20.433
- 125.715 0.000 148.077 -82.837
- # 95 total E -8.54774E+01 rmsd from N 0.000 %NC 0.00
- 123.163-123.731 151.422-102.647
- 124.749-146.963 151.098 -93.252
- 123.269-149.476 112.771 -83.115
- 126.267-153.718 147.420 -82.202
- 124.640-167.329 155.328 175.448
- 104.043 12.373 147.637-166.943
- 95.579 -95.020 131.951 -86.688
- 121.829 166.906 163.592 -95.820
- 92.567 -21.923 148.907-110.998
- 108.919 148.960 146.175-151.571
- 109.154 26.265 153.216 -27.802
- 96.463 -73.127 99.192-108.758
- 93.128-175.949 144.246-137.360
- 93.792 64.099 148.369-117.755
- 105.813-152.034 148.477-145.639
- 96.389-174.526 134.701 -90.498
- 122.714-105.505 152.249 -84.091
- 93.402 98.500 137.557-102.917
- 113.206-126.960 138.635-104.552
- 94.137 40.806 144.140-134.721
- 135.355 -20.515 0.000 0.000
- 129.834 -69.345 158.363 169.073
- 122.294 -9.719 164.268-124.687
- 120.953 -83.777 150.702-103.318
- 92.754 60.425 116.274 -76.210
- 92.801 174.119 148.926-119.857
- 126.777 174.403 147.855-129.998
- 117.813 -98.721 152.254 -19.683
- 117.751-143.735 151.956 -19.679
- 95.538-169.214 100.059-110.723
- 111.768 -85.169 144.159 -81.898
- 122.970-169.859 152.834 -81.147
- 92.953 1.344 116.277 -76.685
- 114.767 -58.300 145.923 -83.124
- 92.928 -31.763 143.178-133.968
- 93.873-127.485 146.203-105.545
- 105.141 -13.735 151.072 -29.659
- 121.462 94.018 146.671 -82.920
- 120.582-106.132 152.753 -72.576
- 121.451 120.632 146.757 -82.877
- 121.379 -79.610 147.764 -96.656
- 93.392 70.169 138.462 -92.657
- 92.606 21.800 146.014 -39.837
- 100.574-133.857 147.180-138.277
- 118.559 124.475 152.114 -19.230
- 93.130 0.000 129.485 -76.260
- # 96 total E -8.53113E+01 rmsd from N 0.000 %NC 0.00
- 123.325-107.385 150.968 -90.461
- 94.193 121.686 138.108-103.995
- 108.353-170.060 148.961-143.646
- 124.417-165.557 146.938 -82.634
- 118.486 110.366 151.432-172.334
- 126.198 179.214 105.797 -81.478
- 123.514 127.982 154.485 -83.084
- 93.341 24.148 140.850 -85.597
- 93.232-127.851 148.517-114.838
- 93.007 57.621 140.504-145.264
- 93.282 112.207 146.086 -38.676
- 93.229 70.571 100.355-112.006
- 95.718 167.776 145.604-137.400
- 92.996 125.424 148.685-123.305
- 108.223 -20.759 147.956-144.165
- 120.360 2.875 156.106 -95.855
- 96.865 -73.607 136.504 -97.834
- 95.393 -34.215 138.345-105.084
- 94.992 122.771 138.433-123.070
- 105.502 -92.481 148.669-145.617
- 125.353 -37.777 0.000 0.000
- 126.234 171.920 159.835 170.978
- 119.092 116.496 165.959-123.993
- 94.238 -9.772 136.668-104.900
- 123.188-161.055 121.720 -79.665
- 118.318 -65.790 158.022-133.695
- 125.117 -16.867 146.126-112.199
- 94.542 -30.982 144.101-126.817
- 120.777 135.533 112.642 -82.272
- 118.746 -19.480 122.185-131.096
- 109.366 177.374 118.953 -78.024
- 93.845 43.314 137.842-104.994
- 95.325 -96.527 116.589 -76.480
- 124.077 155.492 146.834 -83.499
- 126.655 -68.424 113.258 -84.583
- 94.080 107.929 146.501 -37.772
- 92.628 142.258 148.154-110.572
- 93.093 47.409 129.580 -76.192
- 96.482 -92.407 133.564 -89.439
- 123.258 -73.154 147.348 -83.143
- 119.882 147.337 149.444 -89.735
- 114.488 -4.695 144.424 -79.165
- 92.385 -59.561 148.341-116.748
- 93.625 -23.325 143.679-135.059
- 99.108-136.698 146.748-131.567
- 125.964 0.000 147.414 -83.524
- # 97 total E -8.42285E+01 rmsd from N 0.000 %NC 0.00
- 123.320-108.253 151.025 -89.990
- 94.023 92.987 140.065-106.706
- 94.085 96.698 144.628-132.606
- 120.927 -54.412 146.667 -85.205
- 93.397 136.650 135.342 -25.472
- 143.907-165.498 106.651 -89.648
- 93.401 -13.793 132.284 -83.105
- 119.309 177.578 162.451 -84.732
- 92.170 43.067 149.906-118.599
- 110.982 11.249 145.119-154.328
- 115.527-102.538 155.931-129.149
- 119.270 17.921 121.345-129.294
- 124.412-101.061 112.526 -84.001
- 112.024 161.282 155.254-130.565
- 94.196 43.734 143.279-135.350
- 96.728-143.618 134.020 -88.264
- 93.772 63.884 134.068 -89.210
- 93.378 107.427 136.463 -96.198
- 92.877 56.778 137.230-103.670
- 94.277 73.204 144.720-137.479
- 119.343-134.475 0.000 0.000
- 128.351-162.484 158.151 173.527
- 120.067-158.108 165.001-115.870
- 128.050 -18.835 150.526-109.303
- 95.239 132.296 116.711 -76.510
- 112.056 168.013 154.449-130.953
- 118.470 152.350 150.502-112.276
- 120.490-164.193 112.929 -82.971
- 96.796 120.614 109.945 -83.052
- 120.190 -56.033 121.218-128.701
- 92.781 44.381 116.290 -76.421
- 120.834-132.575 151.316 -80.694
- 119.613-134.074 120.608 -79.131
- 119.972 87.183 146.715 -81.567
- 104.586 -42.946 151.236 -25.597
- 92.274 81.790 150.197-122.805
- 91.952 35.087 148.635-117.946
- 122.345 -88.251 146.543 -83.489
- 118.510 -81.253 154.010-101.624
- 92.886 70.861 129.496 -76.231
- 116.304-117.416 151.384-116.627
- 126.503-118.317 150.863 -83.395
- 111.834 178.934 152.466 -25.845
- 113.823 -5.690 112.277 -83.821
- 114.768-147.323 111.633 -82.466
- 125.826 0.000 147.546 -83.225
- # 98 total E -8.42141E+01 rmsd from N 0.000 %NC 0.00
- 93.632 57.462 138.012-104.331
- 93.798 67.600 137.613-103.083
- 128.297-144.564 113.140 -83.504
- 124.678-158.973 147.112 -82.043
- 120.186 165.642 149.950-175.402
- 127.844 -8.916 146.491 -2.614
- 94.413 46.006 131.344 -94.427
- 120.788-176.022 164.768-109.626
- 112.393-126.357 155.406 -24.731
- 141.132-178.539 106.898 -86.814
- 92.730 87.957 146.424 -38.745
- 93.072 -5.055 99.776-113.483
- 96.994-132.368 144.637-137.732
- 110.836 14.054 154.118 -24.268
- 94.600 94.524 144.645-137.405
- 121.724-148.945 154.235-110.483
- 118.537 97.174 154.117 -94.411
- 93.744 58.647 137.506-102.880
- 114.496-139.601 142.935-123.337
- 106.039 165.290 148.282-143.089
- 137.477 -75.751 0.000 0.000
- 124.974-101.156 153.141 -1.319
- 94.141 175.313 140.876 -87.147
- 125.874-108.938 151.891-122.620
- 93.725 64.364 116.408 -76.331
- 92.009 74.604 146.683-109.136
- 131.030 179.160 146.594-131.678
- 114.076-134.553 151.919 -20.360
- 123.136 -93.759 114.096 -82.148
- 95.385 -46.398 99.366-113.229
- 111.298 -70.906 144.291 -80.550
- 121.618-117.500 151.556 -98.562
- 121.444-125.220 148.718 -86.614
- 126.383-164.682 147.275 -82.229
- 116.808 153.721 152.640 -21.104
- 92.766 63.933 148.876-120.984
- 93.213 -24.619 145.970 -38.871
- 123.514 -99.995 146.967 -82.649
- 93.888 57.565 133.213 -88.303
- 120.064 -67.243 146.555 -83.104
- 112.163 123.241 150.000-102.807
- 93.837 87.781 139.005 -96.332
- 91.577 56.631 148.423-114.040
- 92.414 39.793 111.355 -83.002
- 93.598 74.736 108.961 -82.976
- 93.033 0.000 129.418 -76.291
- # 99 total E -6.67648E+01 rmsd from N 0.000 %NC 0.00
- 123.214-118.829 151.414-100.868
- 124.920-108.730 150.340 -86.928
- 93.209 -1.741 143.608-133.154
- 116.697-123.662 147.848 -88.122
- 118.559-156.001 151.766 -3.327
- 93.305-152.905 125.846 -31.259
- 131.443 -25.851 154.169-101.142
- 95.800 104.868 140.285 -85.944
- 91.406 -20.153 150.147-124.243
- 103.107 -74.740 147.428-146.096
- 107.749-133.870 153.412-119.021
- 121.853 131.855 121.121-127.545
- 99.356 -16.835 145.433-139.269
- 93.246 124.410 150.781-120.941
- 106.883 129.521 152.174 -28.334
- 94.952 103.032 133.366 -96.784
- 115.374 -76.632 153.380-103.488
- 94.842 -81.856 138.828-110.971
- 93.526 25.813 139.492-106.156
- 108.181-126.748 148.396-146.412
- 126.317-114.409 0.000 0.000
- 92.546 12.567 135.579-127.382
- 120.879-129.768 165.075-122.874
- 92.872 62.676 137.545-107.177
- 92.302 123.377 115.863 -76.272
- 91.953 58.354 148.027-113.936
- 119.323 -92.639 147.713-116.964
- 94.040 -70.391 143.609-124.995
- 93.329 88.465 109.943 -83.378
- 121.223 172.188 120.545-127.323
- 94.135 43.804 116.495 -76.398
- 94.080 35.529 138.115-106.048
- 95.131 67.879 116.744 -76.486
- 126.291-179.221 147.232 -82.673
- 114.506-141.271 152.099 -22.219
- 113.236 156.329 155.829-131.109
- 92.246 19.836 149.256-122.412
- 121.705-178.811 146.951 -82.672
- 126.360-121.452 152.958 -82.192
- 123.323 -73.021 147.000 -82.999
- 117.290 146.487 148.280 -95.576
- 122.942 -13.886 150.488-104.178
- 94.016 -26.629 148.369-114.186
- 109.143 -81.462 148.595-146.304
- 120.094-142.026 152.401 -18.734
- 125.319 0.000 147.325 -82.312
- # 100 total E 9.40476E+01 rmsd from N 0.000 %NC 0.00
- 93.784 119.275 137.729-103.507
- 123.536-114.447 150.766 -86.847
- 112.299 -77.209 151.623 -23.253
- 122.556-126.527 146.105 -82.843
- 116.796 34.033 148.728-172.576
- 94.962 21.162 141.656-159.691
- 120.609-111.051 153.615 -83.052
- 101.796-170.191 140.500 -87.640
- 107.554 42.803 151.836 -29.185
- 94.310 39.605 140.654-143.820
- 92.677 -74.238 150.345-123.913
- 155.385 76.721 41.026 22.475
- 105.903-129.496 150.878 -48.001
- 113.494-104.486 153.851 -22.756
- 93.864 86.741 143.573-137.234
- 119.329 100.024 150.543 -86.816
- 94.495 57.299 133.960 -87.228
- 94.279 10.110 137.651-103.114
- 121.869 1.180 145.431-128.571
- 120.489 -93.850 153.663 -22.170
- 126.634 -70.741 0.000 0.000
- 128.698 8.696 159.150 169.868
- 121.250 -3.416 165.022-127.503
- 93.560 103.145 141.019-115.989
- 93.936-106.664 115.653 -76.959
- 127.859-144.088 161.144-139.880
- 118.152-122.946 150.978-106.656
- 95.408 47.017 109.875 -83.216
- 97.195 34.304 149.971 -23.325
- 122.324 -11.262 121.127-127.413
- 133.999-168.009 124.162 -82.028
- 93.898 34.518 138.039-105.191
- 99.434-147.902 117.291 -76.876
- 131.079-179.760 147.618 -78.870
- 93.432 -33.567 149.800 -31.353
- 92.584 -75.711 148.559-119.872
- 104.871 -98.531 155.492-131.542
- 93.249 92.090 129.509 -76.282
- 121.960 -11.213 154.565 -93.673
- 127.943-117.254 147.633 -83.972
- 92.287 62.153 137.840 66.200
- 94.002 125.785 137.628 -88.637
- 91.386 66.883 150.422-122.662
- 90.633 37.274 144.406-131.270
- 94.137 84.668 108.786 -82.912
- 122.784 0.000 147.285 -81.695
projects / unres.git / blobdiff