0
- jlee = 1 nbank = 200 nstep = 34969 341.50604
- # 1 total E -1.82018E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 47.733 148.035 -27.912
- 91.900 78.475 130.607 -1.799
- 92.384 48.696 98.635 -88.084
- 91.784 42.768 150.618 -98.905
- 90.984 44.497 123.022-116.477
- 91.817 44.730 125.343 88.295
- 91.293 52.993 132.187-127.699
- 92.064 51.450 141.785-125.617
- 93.493 100.330 153.450 -6.155
- 130.641 -13.823 0.000 0.000
- 125.465 -70.396 0.000 0.000
- 110.542 -51.643 96.244 -85.188
- 89.809 76.779 114.372 -75.850
- 90.750 2.172 113.808 -76.932
- 101.602 -73.239 0.000 0.000
- 128.944 -44.667 122.048-143.383
- 120.811-145.803 110.806-112.920
- 119.313-108.264 112.630-113.385
- 117.518-116.226 125.434-133.727
- 121.728 0.000 121.559 -80.521
- # 2 total E -1.68517E+02 rmsd from N 0.000 %NC 0.00 0
- 93.660 90.956 149.909 -16.353
- 92.552 130.081 144.192 -38.687
- 132.036 -91.216 95.017 -99.418
- 92.659 52.552 141.698 -90.421
- 91.009 43.457 117.174 -68.227
- 91.654 48.786 125.603 -35.917
- 91.398 45.495 151.024-125.037
- 92.389 70.082 139.091-132.800
- 92.863 -34.336 137.176-125.206
- 120.338-132.175 0.000 0.000
- 94.599 70.581 0.000 0.000
- 93.138 80.407 97.467-101.706
- 93.629 16.806 111.588 -75.696
- 126.378-170.297 120.513 -80.334
- 94.649 99.345 0.000 0.000
- 127.947 -76.913 114.915-118.698
- 117.947-106.794 118.154-125.479
- 118.499-138.368 112.551-113.692
- 92.895 63.151 103.672-110.884
- 93.329 0.000 112.230 -77.492
- # 3 total E -1.80918E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 47.909 110.539 -81.675
- 91.996 81.575 136.625 -12.337
- 92.443 47.137 102.177 -85.670
- 91.870 41.733 150.107-101.122
- 91.116 43.536 122.470-112.005
- 91.796 46.605 137.213 95.459
- 91.388 50.990 135.872-125.121
- 92.300 83.961 133.911-113.173
- 94.912 -39.819 148.648 -19.927
- 96.343 97.545 0.000 0.000
- 127.393 -23.348 0.000 0.000
- 93.010 61.977 100.278-101.807
- 92.686 47.419 114.020 -72.193
- 93.243 52.775 112.887 -76.824
- 94.638 66.173 0.000 0.000
- 119.751 -78.086 126.735-117.030
- 117.995-107.864 117.261-123.952
- 117.972-137.550 116.076-118.797
- 93.086 59.368 101.726-103.866
- 93.332 0.000 114.433 -77.251
- # 4 total E -1.69933E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 37.350 104.810 -79.538
- 92.658 158.700 142.612 -6.769
- 93.345 84.495 107.532 -69.954
- 92.924 8.535 169.627-151.772
- 90.827 -96.206 96.576 -54.409
- 106.153 165.935 141.422-126.893
- 92.008 76.362 144.552 -15.440
- 93.749 81.275 127.906-128.601
- 92.723 -94.605 134.296-144.681
- 94.289 24.880 0.000 0.000
- 127.612 -51.334 0.000 0.000
- 115.276-170.187 118.614-124.444
- 129.955-145.700 144.961 176.363
- 123.728 -72.354 119.384 -78.546
- 95.432 69.085 0.000 0.000
- 127.782 -84.171 118.993-129.760
- 118.017-111.893 114.334-119.538
- 117.655-114.048 136.821-149.037
- 117.905-116.207 117.832-120.492
- 121.738 0.000 121.476 -80.610
- # 5 total E -1.71789E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 46.884 110.192 -81.529
- 92.004 78.641 140.408 -21.201
- 92.497 47.255 101.513 -83.429
- 91.716 43.664 149.066 -99.634
- 90.801 44.043 115.990 -33.233
- 91.489 48.279 153.106 121.368
- 91.389 54.148 133.091 -43.246
- 91.935 91.543 135.945-120.374
- 93.642 -45.976 106.173 -84.518
- 96.113 95.399 0.000 0.000
- 133.482 -55.760 0.000 0.000
- 118.397-133.060 130.083-138.556
- 125.823-132.114 120.046 -78.942
- 94.101 53.047 116.118 -78.907
- 95.056 74.016 0.000 0.000
- 122.691 -75.653 99.493 -62.223
- 116.789-105.443 119.888-127.280
- 118.091-139.828 113.306-114.725
- 93.009 59.427 106.229-114.876
- 93.331 0.000 114.308 -77.191
- # 6 total E -1.74540E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 48.781 147.831 -27.127
- 91.990 79.866 135.851 -12.902
- 92.433 46.838 101.826 -86.799
- 91.735 43.064 150.754 -99.343
- 90.955 43.855 119.615-114.627
- 91.720 46.859 116.550 46.149
- 91.154 45.965 134.839-128.813
- 91.609 63.127 138.554-135.004
- 93.243 37.025 140.857-123.659
- 95.480 71.613 0.000 0.000
- 129.767 -63.095 0.000 0.000
- 92.618 65.862 100.426 -98.953
- 93.257 16.931 114.666 -76.248
- 98.502 -95.855 111.800 -76.519
- 128.269-172.390 0.000 0.000
- 129.749 -81.424 139.565 83.972
- 117.937-108.729 117.615-124.867
- 118.037-136.935 115.820-118.306
- 93.107 59.462 101.654-103.671
- 93.329 0.000 114.414 -77.246
- # 7 total E -1.72654E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.694 147.990 -27.306
- 91.903 78.115 130.347 -3.667
- 92.418 48.260 99.953 -89.782
- 91.588 43.703 151.006 -98.681
- 90.891 44.044 121.582-117.388
- 91.664 47.004 122.000 55.787
- 91.184 44.098 133.341-132.921
- 91.645 58.501 137.831-134.203
- 93.069 42.845 139.730-124.399
- 95.729 68.405 0.000 0.000
- 133.242 -66.099 0.000 0.000
- 92.933 67.335 101.061-100.589
- 93.274 8.145 114.464 -76.463
- 117.142-114.688 116.892 -76.940
- 130.089 -98.953 0.000 0.000
- 126.865 -92.653 141.549 62.516
- 117.896-107.978 123.917-133.404
- 118.090-136.919 114.524-116.075
- 93.099 59.593 101.585-104.164
- 93.332 0.000 114.355 -77.237
- # 8 total E -1.75693E+02 rmsd from N 0.000 %NC 0.00 0
- 93.690 124.320 147.824 -22.303
- 119.364-111.221 146.280 -29.662
- 92.459 49.842 102.092 -80.877
- 91.410 43.512 144.865-101.569
- 90.838 43.582 116.548 -71.595
- 91.663 44.045 153.259 22.269
- 91.410 54.796 135.309-137.610
- 92.081 52.228 135.993-111.617
- 93.565-121.441 109.484 -81.871
- 94.680 149.236 0.000 0.000
- 136.953 -63.707 0.000 0.000
- 92.692 65.301 132.149-156.256
- 92.600 62.173 114.821 -76.157
- 93.215 44.759 125.843-122.278
- 94.407 57.285 0.000 0.000
- 114.243 -66.916 118.669-113.682
- 117.336-105.554 117.928-125.352
- 118.014-140.066 114.304-116.336
- 93.145 52.993 98.404-107.375
- 93.351 0.000 115.345 -79.529
- # 9 total E -1.80018E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 49.394 147.679 -26.651
- 92.001 79.514 138.607 -17.318
- 92.472 46.355 102.815 -85.573
- 91.738 44.176 151.514 -99.313
- 91.015 41.956 120.335-113.326
- 91.798 50.501 109.673 42.157
- 91.455 38.200 138.473-127.711
- 92.463 80.965 134.849-133.957
- 95.173 -42.387 145.918-142.622
- 97.167 84.340 0.000 0.000
- 94.980 44.813 0.000 0.000
- 92.335 54.387 131.536-156.247
- 91.854 52.091 111.821 -77.206
- 92.800 51.745 111.703 -78.915
- 94.711 66.420 0.000 0.000
- 119.481 -78.759 126.350-122.661
- 117.993-107.892 117.308-123.969
- 117.994-137.473 116.090-118.804
- 93.087 59.383 101.662-103.737
- 93.332 0.000 114.442 -77.252
- # 10 total E -1.72185E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 49.341 147.968 -26.856
- 91.893 78.314 129.701 -3.578
- 92.482 47.297 98.040 -90.021
- 91.767 43.689 147.235 -95.525
- 90.904 43.090 119.745-119.002
- 91.513 50.616 134.611 48.748
- 91.408 45.673 135.572-157.590
- 92.693 74.650 136.151-133.365
- 92.950 -84.520 145.573-122.485
- 94.517 151.009 0.000 0.000
- 134.481 -54.820 0.000 0.000
- 92.404 54.441 91.819 -93.416
- 93.153 28.181 113.028 -77.745
- 114.492 -66.069 120.927 -80.841
- 130.065 -17.575 0.000 0.000
- 133.767 -76.036 144.647 -56.479
- 118.111-110.285 110.051-113.281
- 117.620-136.504 127.656-136.960
- 93.125 59.121 101.128 -97.962
- 93.333 0.000 114.602 -77.283
- # 11 total E -1.73735E+02 rmsd from N 0.000 %NC 0.00 0
- 93.687 88.791 146.068 10.154
- 91.950 75.342 137.726 -19.312
- 92.304 53.064 93.127 -72.619
- 92.328 41.038 146.938-108.118
- 91.311 55.998 117.891-108.847
- 92.891 77.788 170.504 16.029
- 91.958 140.902 146.186-131.932
- 92.633 84.450 124.802-154.505
- 94.926 -34.908 144.078-121.772
- 95.327 90.331 0.000 0.000
- 124.657 -16.319 0.000 0.000
- 92.768 58.806 93.739 -97.534
- 92.910 42.871 114.836 -72.448
- 95.994-102.186 112.152 -71.872
- 95.994 160.718 0.000 0.000
- 128.006 -81.159 87.631 -63.240
- 117.330-108.423 120.718-128.047
- 118.726-141.036 112.299-113.259
- 92.999 55.465 97.820-103.895
- 93.346 0.000 111.828 -81.229
- # 12 total E -1.72940E+02 rmsd from N 0.000 %NC 0.00 0
- 93.708 127.150 149.910 -6.237
- 118.360-114.103 145.255 -31.350
- 92.590 48.397 104.514 -86.294
- 91.594 42.844 147.333-101.738
- 91.120 43.217 103.270 -53.048
- 91.876 46.158 146.731 94.838
- 91.588 50.477 137.920-119.081
- 92.584 70.309 140.741-132.454
- 93.172 -55.198 143.985-124.964
- 118.720-156.159 0.000 0.000
- 95.108 58.756 0.000 0.000
- 95.054 113.344 97.582 -99.486
- 92.091 -31.588 132.704 -37.989
- 88.455 -56.754 113.524 -76.729
- 93.149 23.111 0.000 0.000
- 124.181 -90.155 142.317 -2.819
- 117.649-106.966 127.910-139.532
- 118.399-138.099 115.597-117.437
- 93.066 61.818 134.080-159.029
- 93.327 0.000 113.807 -76.621
- # 13 total E -1.73169E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 46.704 110.000 -81.338
- 91.997 76.557 137.287 -27.173
- 92.534 47.204 97.393 -80.232
- 92.147 40.513 149.496-102.377
- 90.982 45.023 119.067 -54.221
- 91.687 42.058 167.490 29.821
- 91.309 54.319 133.249-117.198
- 92.009 45.418 134.602-106.954
- 92.890-116.382 106.024 -80.276
- 94.254 134.251 0.000 0.000
- 95.494 63.453 0.000 0.000
- 93.257 64.789 127.652-150.841
- 93.483 32.062 113.116 -77.704
- 118.996-103.853 117.657 -79.571
- 95.109 158.746 0.000 0.000
- 129.460 -87.489 124.197 -57.203
- 117.817-106.519 120.689-128.424
- 118.082-137.871 112.671-114.335
- 93.008 55.098 100.866-110.148
- 93.344 0.000 114.349 -79.483
- # 14 total E -1.76017E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 49.280 148.109 -27.026
- 91.912 78.673 130.919 -2.882
- 92.461 48.099 103.353 -87.822
- 91.850 43.013 149.113 -98.549
- 90.977 44.219 119.965-118.385
- 91.823 49.663 137.635 35.888
- 91.673 52.094 135.646-140.116
- 92.631 80.870 137.113-130.202
- 113.008-112.089 145.612-128.789
- 95.280 153.689 0.000 0.000
- 132.273 -66.216 0.000 0.000
- 128.071 102.087 113.781-110.932
- 92.516 -33.759 116.675 -80.511
- 90.631 -46.299 114.594 -76.140
- 93.796 71.285 0.000 0.000
- 128.313-112.598 110.770 -48.918
- 117.967-107.186 125.867-135.025
- 117.663-114.214 113.178-114.793
- 117.763-119.031 122.801-129.200
- 122.374 0.000 122.439 -83.944
- # 15 total E -1.72227E+02 rmsd from N 0.000 %NC 0.00 0
- 93.660 123.017 109.587 -81.100
- 118.713-113.556 148.187 -30.304
- 92.615 49.435 134.895 107.801
- 91.534 45.349 138.528 -88.971
- 90.889 42.880 130.335-127.429
- 91.489 49.720 137.866 -2.189
- 91.437 44.828 148.301-175.523
- 92.624 71.567 136.052-130.625
- 93.130 -88.607 133.248-118.795
- 94.427 153.771 0.000 0.000
- 137.757 -47.679 0.000 0.000
- 92.484 61.718 95.664-104.171
- 92.692 50.536 113.794 -73.808
- 93.324 51.092 112.988 -79.268
- 94.774 66.697 0.000 0.000
- 120.127 -78.087 125.609-116.209
- 117.962-109.427 118.016-125.222
- 117.992-118.532 112.533-113.870
- 117.672-116.257 123.829-130.618
- 121.735 0.000 121.554 -80.554
- # 16 total E -1.74047E+02 rmsd from N 0.000 %NC 0.00 0
- 93.685 85.705 146.796 4.451
- 91.914 74.753 139.181 -29.725
- 92.766 45.865 176.031-177.044
- 92.175 43.605 136.309 -85.933
- 91.059 43.386 112.142-119.734
- 91.649 49.115 119.289 -57.449
- 91.504 47.635 152.657-157.641
- 92.672 71.391 137.010-132.392
- 93.294 -84.542 145.252-127.194
- 94.793 162.482 0.000 0.000
- 140.106 -47.411 0.000 0.000
- 120.294-169.874 114.532-118.170
- 93.984 97.459 115.238 -76.993
- 125.143 -92.873 119.972 -80.677
- 95.212 160.464 0.000 0.000
- 129.151 -83.114 97.030 -82.507
- 117.902-108.588 116.917-123.440
- 118.348-136.816 114.809-117.372
- 93.016 58.546 102.054-102.281
- 93.334 0.000 114.476 -77.673
- # 17 total E -1.78521E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 49.310 147.695 -26.687
- 92.003 80.209 138.547 -17.596
- 92.482 46.564 102.847 -85.714
- 91.749 44.319 150.882 -98.633
- 90.998 42.228 120.275-114.098
- 91.754 51.445 109.487 42.767
- 91.495 38.580 139.966-129.327
- 92.573 82.624 134.296-134.449
- 94.301 -47.039 146.258-147.181
- 96.482 91.841 0.000 0.000
- 94.633 53.487 0.000 0.000
- 94.107 115.138 131.636-156.287
- 92.150 -27.271 121.714 -71.069
- 89.331 -62.430 113.349 -77.067
- 93.394 24.631 0.000 0.000
- 126.369 -80.141 117.180 129.030
- 117.483-107.915 135.350-151.151
- 117.901-137.303 119.008-122.614
- 93.113 59.261 101.413-102.024
- 93.332 0.000 114.490 -77.271
- # 18 total E -1.68036E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 29.796 103.184 -80.462
- 92.498 154.909 135.045 -1.706
- 93.457 87.221 119.099-104.002
- 93.115 4.237 166.462-147.588
- 91.263 -90.805 97.535 -48.191
- 113.960 167.651 145.555-133.394
- 92.117 70.199 150.446 -21.108
- 92.866 101.914 140.309-131.406
- 129.590 -1.416 164.113-166.702
- 131.116 -29.132 0.000 0.000
- 127.444 -61.000 0.000 0.000
- 100.785 -28.993 131.278-152.447
- 91.294 96.963 115.263 -76.124
- 91.233 -16.968 113.456 -76.840
- 99.802 -66.404 0.000 0.000
- 125.620 -48.009 112.309-114.793
- 118.531-110.565 111.895-112.427
- 118.064-139.298 120.167-126.117
- 93.013 59.931 130.101-152.984
- 93.333 0.000 114.450 -76.830
- # 19 total E -1.83113E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.102 147.963 -27.715
- 91.898 78.214 130.392 -2.064
- 92.415 48.312 97.506 -89.280
- 91.669 43.889 151.045 -97.781
- 90.876 45.018 123.067-117.897
- 91.786 45.253 114.122 74.135
- 91.359 47.985 130.574-133.419
- 92.254 51.936 140.879-134.612
- 93.395 135.791 147.814-152.250
- 130.202 -45.106 0.000 0.000
- 126.028 -57.792 0.000 0.000
- 105.605 -32.277 96.096 -89.492
- 91.194 95.952 114.523 -76.129
- 91.366 -17.326 110.358 -78.605
- 103.598 -53.861 0.000 0.000
- 129.815 -51.591 126.039 -67.278
- 120.095-114.751 112.849-114.856
- 118.463-139.488 119.018-124.421
- 92.954 59.838 108.337-114.855
- 93.331 0.000 113.826 -77.483
- # 20 total E -1.78463E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.927 110.406 -81.558
- 92.001 81.093 137.779 -16.239
- 92.569 45.904 102.033 -84.477
- 91.951 42.006 151.721 -98.781
- 91.132 43.291 121.822-110.624
- 91.829 48.029 144.945 95.939
- 91.562 45.347 138.403-114.624
- 92.673 72.257 138.357-133.776
- 93.322 -36.111 144.556-136.290
- 126.725-138.616 0.000 0.000
- 94.190 88.296 0.000 0.000
- 131.355 81.399 111.800-107.377
- 94.356 -29.067 115.957 -75.795
- 91.667 -48.473 114.828 -76.241
- 94.227 58.705 0.000 0.000
- 129.754-108.511 147.867 -0.428
- 117.820-106.407 117.337-125.313
- 117.997-138.995 117.747-120.942
- 93.124 60.190 134.327-159.902
- 93.329 0.000 114.465 -76.734
- # 21 total E -1.78761E+02 rmsd from N 0.000 %NC 0.00 0
- 93.680 53.135 143.865 -22.840
- 92.700 129.493 146.628 -21.755
- 129.248 -94.605 96.824 -93.424
- 92.869 51.139 146.996-106.682
- 91.023 43.787 121.949 -71.648
- 91.603 50.894 120.620 -31.602
- 91.302 50.008 135.979 -63.013
- 92.333 64.775 136.210-133.110
- 93.264-106.939 107.386 -82.488
- 94.799 151.044 0.000 0.000
- 138.049 -66.855 0.000 0.000
- 92.879 74.950 103.684-106.245
- 93.163 90.135 115.371 -76.998
- 93.221 41.355 114.512 -78.498
- 94.926 65.533 0.000 0.000
- 118.872 -75.865 123.799 -92.039
- 117.918-108.671 114.941-120.926
- 118.425-141.120 115.989-118.694
- 93.155 50.807 91.050 -93.317
- 93.359 0.000 114.997 -80.851
- # 22 total E -1.71981E+02 rmsd from N 0.000 %NC 0.00 0
- 93.772 127.822 137.960 5.246
- 115.390-114.541 143.813 -34.516
- 92.943 48.041 146.291-100.463
- 91.854 43.265 141.782 -96.712
- 91.006 43.487 101.544 -52.907
- 91.581 50.687 116.446 -71.717
- 91.319 42.883 143.030-146.304
- 92.670 63.162 133.738-134.899
- 93.584 -32.409 153.295-131.818
- 129.065-116.532 0.000 0.000
- 94.680 82.506 0.000 0.000
- 92.673 73.914 97.978-104.618
- 92.332 63.478 107.237 -83.067
- 92.581 56.937 114.750 -78.802
- 93.971 65.887 0.000 0.000
- 114.079 -66.915 100.525 -79.576
- 118.032-109.078 116.896-123.376
- 118.948-138.432 113.114-115.370
- 92.997 57.205 98.938 -90.172
- 93.337 0.000 115.209 -77.543
- # 23 total E -1.74395E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.246 110.637 -81.722
- 91.989 81.952 135.376 -10.191
- 92.454 47.526 101.428 -85.718
- 91.878 41.855 150.361 -99.373
- 91.045 44.878 122.699-113.251
- 91.835 46.081 130.285 94.066
- 91.421 53.978 134.255-125.295
- 91.974 67.177 141.645-137.018
- 92.942 133.128 149.050 -13.097
- 94.837 114.291 0.000 0.000
- 131.266 -62.860 0.000 0.000
- 117.417 -81.581 119.433-124.200
- 92.936 74.147 115.480 -76.358
- 94.045 46.915 113.582 -77.257
- 95.420 75.901 0.000 0.000
- 123.202 -82.837 131.932-148.014
- 117.961-107.736 119.301-126.905
- 118.029-137.520 115.481-117.775
- 93.087 59.406 101.685-104.058
- 93.333 0.000 114.408 -77.246
- # 24 total E -1.67875E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 123.023 109.514 -81.194
- 118.508-115.349 143.849 -32.165
- 92.376 49.180 106.262 -86.275
- 91.237 44.792 148.155-101.816
- 90.840 43.855 109.923 -60.916
- 91.699 45.999 114.481 50.017
- 91.208 47.066 134.257-128.263
- 91.643 64.007 139.278-135.094
- 93.244 36.912 142.854-128.911
- 95.487 71.598 0.000 0.000
- 129.784 -62.961 0.000 0.000
- 92.629 65.904 100.456 -98.983
- 93.261 17.069 114.685 -76.212
- 98.414 -96.409 111.865 -76.496
- 127.996-172.690 0.000 0.000
- 129.738 -81.665 137.197 88.445
- 117.936-108.682 117.799-125.212
- 118.036-136.935 115.741-118.193
- 93.104 59.560 101.643-103.719
- 93.333 0.000 114.407 -77.246
- # 25 total E -1.68536E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 35.861 105.050 -80.028
- 92.530 157.098 133.826 -6.599
- 93.527 87.442 99.684 -71.653
- 93.244 2.888 170.054-166.418
- 91.399 -89.169 133.933-124.412
- 113.743 166.733 128.691 -59.147
- 92.013 87.366 143.694 -5.340
- 92.595 51.386 131.227-140.024
- 93.535-176.748 145.589 -18.427
- 94.665 126.877 0.000 0.000
- 132.078 -63.108 0.000 0.000
- 112.178 -48.726 94.859 -84.421
- 91.003 84.122 114.647 -75.935
- 91.492 -7.296 113.027 -77.638
- 108.735 -43.622 0.000 0.000
- 134.539 -67.579 156.317-166.845
- 118.833-111.103 111.820-115.602
- 117.465-136.750 126.510-134.229
- 93.121 60.154 132.044-155.668
- 93.330 0.000 114.539 -76.829
- # 26 total E -1.78393E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 122.822 109.373 -81.257
- 118.411-116.559 144.141 -31.221
- 92.428 49.475 105.447 -85.975
- 91.347 44.355 148.618-101.612
- 90.859 44.916 104.181 -56.395
- 91.748 45.173 112.877 60.114
- 91.220 54.406 132.343-127.981
- 91.976 51.983 140.623-124.585
- 93.447 99.839 140.894-139.272
- 130.596 -14.992 0.000 0.000
- 125.730 -68.990 0.000 0.000
- 111.100 -52.524 96.506 -84.865
- 89.779 76.624 114.373 -75.850
- 90.700 2.024 114.051 -76.777
- 102.024 -71.943 0.000 0.000
- 129.702 -44.871 123.668-145.303
- 119.926-118.151 108.708-110.484
- 118.629-132.925 122.870-128.830
- 93.047 60.740 131.271-154.289
- 93.330 0.000 114.339 -76.918
- # 27 total E -1.71722E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.975 110.435 -81.658
- 92.018 80.262 138.816 -11.908
- 92.367 47.101 97.992 -71.371
- 92.092 41.072 147.178-105.134
- 91.152 42.925 121.932-111.020
- 92.085 44.164 133.621 97.600
- 91.384 54.113 136.522-121.089
- 91.622 60.819 143.704-138.623
- 92.924 62.310 147.371 -27.513
- 95.269 67.248 0.000 0.000
- 129.877 -72.610 0.000 0.000
- 118.308 -81.446 116.670-120.008
- 93.537 84.322 115.422 -76.595
- 124.571 -95.649 118.191 -81.010
- 126.453-166.177 0.000 0.000
- 128.536 -74.208 135.026 155.687
- 118.062-108.571 117.557-124.253
- 118.607-139.266 114.502-116.862
- 93.133 52.004 94.002 -96.270
- 93.356 0.000 114.684 -80.728
- # 28 total E -1.71461E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 48.568 110.237 -81.262
- 92.034 87.369 147.554 -12.253
- 92.523 51.439 99.465 -85.231
- 91.683 43.897 140.864 -99.998
- 90.809 62.008 134.763 -99.908
- 91.831 53.087 145.344 114.036
- 92.493 120.957 135.084 -84.729
- 90.066 -28.914 154.028-157.858
- 90.384 -55.436 141.767-121.977
- 93.444 17.619 0.000 0.000
- 117.891 -79.254 0.000 0.000
- 93.596 42.965 133.494-157.816
- 116.969 -70.966 120.872 -80.174
- 93.521 -19.741 114.262 -76.141
- 95.959 111.774 0.000 0.000
- 133.495-117.822 139.315 170.214
- 120.227-104.951 113.960-117.489
- 118.033-136.976 115.757-119.775
- 93.138 60.284 101.544-103.243
- 93.332 0.000 114.084 -77.157
- # 29 total E -1.75389E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 48.775 147.988 -27.152
- 91.900 77.607 130.484 -4.180
- 92.414 47.805 99.885 -89.651
- 91.590 43.509 149.716 -97.163
- 90.849 43.481 120.966-117.310
- 91.561 46.855 122.329 57.441
- 91.103 44.537 135.776-137.650
- 91.647 57.220 138.802-134.369
- 93.332 33.744 141.695-124.395
- 95.301 72.177 0.000 0.000
- 127.528 -43.698 0.000 0.000
- 92.419 69.256 100.340-100.195
- 92.419 21.876 113.162 -76.378
- 95.234-116.598 113.907 -77.713
- 95.129 143.211 0.000 0.000
- 130.214 -86.717 163.654-131.075
- 117.930-106.700 116.715-123.447
- 118.329-137.629 115.781-118.323
- 93.082 59.296 101.970-104.915
- 93.333 0.000 114.390 -77.326
- # 30 total E -1.73703E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 48.099 147.976 -27.720
- 91.893 78.139 130.244 -0.824
- 92.394 47.915 98.622 -88.972
- 91.627 43.793 151.248 -97.392
- 90.922 43.060 123.280-118.501
- 91.706 44.819 123.631 80.074
- 91.166 42.649 132.415-131.799
- 91.586 51.249 141.517-128.835
- 93.131 34.138 143.208-139.146
- 95.353 48.027 0.000 0.000
- 94.650 43.243 0.000 0.000
- 91.986 50.292 97.066 -96.048
- 91.609 50.462 112.428 -77.908
- 92.662 51.272 111.939 -78.547
- 94.665 66.285 0.000 0.000
- 119.243 -78.634 127.050-118.942
- 117.989-109.465 118.024-125.192
- 118.010-118.229 112.583-113.934
- 117.681-116.256 123.706-130.420
- 121.734 0.000 121.553 -80.556
- # 31 total E -1.72115E+02 rmsd from N 0.000 %NC 0.00 0
- 93.552 3.830 132.900-152.811
- 114.141-117.720 143.492 -32.163
- 92.638 47.247 104.709 -86.798
- 91.689 43.133 147.299-101.173
- 91.149 42.979 104.945 -52.201
- 91.937 45.842 145.481 97.127
- 91.628 50.213 138.123-118.607
- 92.636 70.071 141.276-132.136
- 93.213 -56.207 144.444-126.019
- 118.920-155.871 0.000 0.000
- 95.093 58.505 0.000 0.000
- 95.044 113.418 97.597 -99.490
- 92.094 -31.571 132.669 -38.184
- 88.448 -56.757 113.519 -76.713
- 93.151 23.170 0.000 0.000
- 124.239 -90.541 143.042 -0.829
- 117.705-107.000 127.683-139.267
- 118.395-138.300 115.571-117.435
- 93.072 61.760 133.992-159.121
- 93.326 0.000 113.832 -76.623
- # 32 total E -1.69271E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 46.749 109.862 -81.346
- 92.113 82.939 140.402 -33.448
- 93.169 52.538 105.276 -71.292
- 92.657 68.109 147.380 -90.695
- 91.394 61.202 113.778 -46.228
- 92.837 115.239 129.695-129.140
- 90.908 -42.138 151.524-124.339
- 93.318 -51.029 153.281 176.304
- 95.141 -69.023 149.056 -23.813
- 94.690 66.696 0.000 0.000
- 95.470 56.503 0.000 0.000
- 94.258 120.417 131.438-155.383
- 91.645 -30.397 110.721 -68.777
- 88.746 -61.151 113.549 -76.491
- 93.369 37.612 0.000 0.000
- 130.062 -78.221 116.602 -55.102
- 117.848-108.052 129.389-140.945
- 117.884-136.125 117.841-120.116
- 93.145 65.219 130.965-154.787
- 93.320 0.000 112.949 -76.131
- # 33 total E -1.71723E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.379 147.984 -27.661
- 91.905 78.751 130.192 -4.737
- 92.444 47.961 96.980 -88.301
- 91.769 43.507 149.558 -98.161
- 91.000 43.792 120.682-117.766
- 91.784 47.188 145.522 38.197
- 91.457 48.064 133.725-135.506
- 91.984 87.123 137.791-123.311
- 93.802 -49.960 143.364-136.054
- 96.558 91.969 0.000 0.000
- 95.396 66.423 0.000 0.000
- 115.129 -29.922 140.991-158.983
- 93.202 76.827 115.323 -76.046
- 93.606 43.411 135.037-106.252
- 95.308 74.350 0.000 0.000
- 120.204 -80.131 129.747-134.617
- 118.002-107.819 117.084-123.468
- 118.009-137.457 116.077-118.828
- 93.092 59.288 101.703-103.883
- 93.332 0.000 114.444 -77.250
- # 34 total E -1.70983E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 50.319 147.789 -26.055
- 91.986 78.262 133.316 -19.550
- 92.725 44.403 97.676 -83.895
- 92.085 43.445 144.013 -93.393
- 90.963 42.404 118.227-114.095
- 91.518 51.353 159.649 44.463
- 91.481 47.231 142.743 -35.552
- 92.391 80.298 136.163-136.132
- 93.356 -5.635 142.054-117.973
- 127.553 -33.472 0.000 0.000
- 129.208 -58.795 0.000 0.000
- 115.722 -78.309 117.412-122.520
- 92.618 77.799 115.517 -76.552
- 94.972 19.632 113.558 -77.589
- 96.659 163.194 0.000 0.000
- 127.029-114.010 138.303 -9.467
- 117.792-107.243 119.943-126.909
- 117.976-139.833 116.529-118.488
- 93.045 59.588 107.637-110.526
- 93.330 0.000 114.248 -77.178
- # 35 total E -1.71651E+02 rmsd from N 0.000 %NC 0.00 0
- 93.684 85.152 147.121 4.106
- 91.903 75.872 141.038 -19.895
- 92.219 47.919 100.115 -83.509
- 91.560 43.374 136.714 -93.517
- 90.834 44.104 119.005-116.289
- 91.519 47.153 156.403 125.796
- 91.421 50.304 141.776 -36.434
- 91.923 86.065 137.572-126.326
- 93.624 -49.005 104.060 -77.972
- 96.202 92.317 0.000 0.000
- 95.034 67.633 0.000 0.000
- 93.163 103.846 94.324 -93.648
- 128.399 -95.682 120.512 -81.528
- 94.243 63.458 115.853 -76.290
- 95.285 78.145 0.000 0.000
- 123.820 -82.902 106.780 -60.123
- 117.632-107.095 117.697-123.994
- 117.890-137.902 114.799-116.905
- 93.150 60.330 130.057-153.607
- 93.329 0.000 114.360 -76.797
- # 36 total E -1.69051E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.278 147.978 -27.690
- 91.904 78.712 130.308 -4.934
- 92.451 47.664 97.409 -88.198
- 91.773 43.555 150.141 -97.913
- 91.008 43.219 120.598-117.663
- 91.759 47.483 145.227 38.965
- 91.413 45.606 134.778-133.691
- 91.996 84.148 138.886-133.876
- 94.326 -44.973 143.296-133.071
- 96.768 86.705 0.000 0.000
- 95.124 47.195 0.000 0.000
- 92.837 59.807 131.287-155.709
- 93.260 125.312 112.300 -77.845
- 90.591 -42.730 113.643 -77.919
- 91.441 -44.293 0.000 0.000
- 120.217 -93.506 121.743 -45.930
- 117.593-107.453 121.724-129.760
- 117.977-136.938 114.158-115.776
- 93.176 60.808 129.793-153.303
- 93.330 0.000 114.287 -76.787
- # 37 total E -1.67701E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.770 147.977 -27.155
- 91.900 78.527 131.038 1.180
- 92.324 50.156 98.694 -86.536
- 91.547 42.914 149.605 -97.033
- 90.811 45.744 122.423-119.921
- 91.532 46.956 124.040 61.380
- 91.316 50.215 141.668-103.348
- 91.999 58.540 139.108-135.523
- 93.423 179.664 142.809-127.953
- 94.662 132.735 0.000 0.000
- 133.913 -30.755 0.000 0.000
- 93.710 89.060 98.308-100.189
- 128.579 -95.039 121.748 -78.175
- 126.602 -82.714 121.859 -80.126
- 124.575-165.949 0.000 0.000
- 129.133 -77.764 135.755-101.465
- 118.252-108.661 115.250-121.379
- 117.907-136.144 114.172-116.267
- 93.205 60.593 128.253-150.527
- 93.329 0.000 114.229 -76.908
- # 38 total E -1.76732E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.413 110.539 -81.836
- 91.998 82.157 135.641 -9.492
- 92.468 46.626 105.377 -81.089
- 91.861 43.018 150.651-102.607
- 90.949 43.308 122.523-116.356
- 91.593 47.235 140.222 19.905
- 91.456 47.386 136.219-132.339
- 92.515 72.610 139.016-131.594
- 92.900 -98.590 134.631-116.668
- 94.653 129.213 0.000 0.000
- 135.254 -62.296 0.000 0.000
- 114.811 167.488 121.483-129.456
- 93.959 79.204 116.309 -77.424
- 94.583 34.495 115.032 -76.947
- 95.811 72.798 0.000 0.000
- 125.658 -77.596 155.639 -55.031
- 118.243-109.233 106.917-109.942
- 117.773-138.560 118.206-122.555
- 93.126 60.013 134.687-159.990
- 93.329 0.000 114.557 -76.752
- # 39 total E -1.72755E+02 rmsd from N 0.000 %NC 0.00 0
- 93.641 38.501 105.377 -79.442
- 92.597 156.606 139.465 -4.025
- 93.219 86.703 105.960 -71.402
- 93.261 6.996 169.939-154.321
- 91.295 -93.013 94.140 -51.977
- 107.037 169.859 142.683-126.295
- 92.035 47.746 139.606 -14.576
- 94.077 106.043 134.582-107.485
- 90.636 -37.773 104.501 -68.366
- 89.556 -55.198 0.000 0.000
- 93.655 36.338 0.000 0.000
- 131.826 168.738 112.239-106.361
- 93.598 97.284 102.539 19.545
- 94.047 34.598 113.930 -75.200
- 96.046 76.740 0.000 0.000
- 125.483 -84.123 124.216 -56.267
- 118.368-108.335 116.879-122.675
- 118.186-135.914 113.968-116.149
- 93.120 59.500 98.434-100.378
- 93.332 0.000 114.344 -77.374
- # 40 total E -1.74310E+02 rmsd from N 0.000 %NC 0.00 0
- 93.695 90.164 142.116 -14.963
- 92.762 126.873 143.601 -33.808
- 129.447 -98.485 98.865-103.088
- 93.036 47.547 149.412 -98.503
- 91.235 45.853 103.951 -47.839
- 92.217 47.453 146.050 103.465
- 91.623 47.133 136.925 -99.425
- 92.885 68.992 138.539-135.830
- 93.548 -64.521 145.345-126.272
- 120.203-155.787 0.000 0.000
- 94.996 60.536 0.000 0.000
- 94.912 113.948 97.447 -99.732
- 92.119 -31.524 131.422 -38.487
- 88.484 -56.718 113.322 -76.638
- 93.202 22.535 0.000 0.000
- 124.545 -93.785 144.080 27.118
- 117.777-107.961 128.641-140.260
- 118.618-139.595 117.452-119.732
- 93.034 61.187 139.229-166.127
- 93.327 0.000 114.094 -76.601
- # 41 total E -1.68241E+02 rmsd from N 0.000 %NC 0.00 0
- 93.664 58.376 147.089 -24.603
- 92.630 121.201 140.181 -42.619
- 130.832 -93.849 97.522 -99.328
- 92.983 47.051 153.902-102.254
- 91.346 43.916 111.106 -75.318
- 92.516 45.403 147.853 29.670
- 91.741 45.080 131.720-105.286
- 92.910 70.610 141.646-135.471
- 93.603-102.640 135.112-113.626
- 94.583 159.781 0.000 0.000
- 137.128 -56.246 0.000 0.000
- 93.570 74.667 98.992-106.489
- 132.727-109.263 122.117 -82.624
- 121.114 -69.013 120.490 -79.272
- 94.654 161.618 0.000 0.000
- 131.459 -86.852 110.365 -49.635
- 116.568-103.684 124.907-133.665
- 118.242-136.793 111.659-112.287
- 93.239 49.242 98.483-110.339
- 93.363 0.000 120.004 -78.368
- # 42 total E -1.71717E+02 rmsd from N 0.000 %NC 0.00 0
- 93.638 40.664 106.953 -80.134
- 92.511 155.561 135.858 -8.517
- 93.331 84.252 103.064 -74.308
- 92.854 9.726 168.234-151.139
- 90.914 -98.172 106.966 -41.625
- 103.489 173.123 160.729-123.695
- 92.136 45.879 141.911 -13.134
- 94.049 102.082 133.107-107.166
- 91.254 -39.162 93.256 -71.674
- 91.612 -55.098 0.000 0.000
- 94.106 31.949 0.000 0.000
- 131.668 169.469 113.637-108.422
- 130.539-174.321 126.230 22.140
- 94.289 52.647 116.474 -75.904
- 130.474-149.690 0.000 0.000
- 128.789 -82.992 163.445-150.241
- 117.965-108.409 120.606-130.001
- 118.092-136.994 114.976-116.836
- 93.098 59.587 101.613-103.977
- 93.331 0.000 114.374 -77.239
- # 43 total E -1.73168E+02 rmsd from N 0.000 %NC 0.00 0
- 93.679 52.530 143.915 -23.394
- 92.687 126.131 147.872 -25.835
- 129.884 -94.390 95.712 -95.234
- 92.824 52.155 146.058-112.181
- 90.978 43.514 120.516 -69.091
- 91.514 51.661 120.105 -32.846
- 91.267 51.144 136.898 -54.356
- 92.217 64.215 135.451-133.235
- 93.186-105.846 106.721 -83.223
- 94.827 151.896 0.000 0.000
- 138.419 -68.659 0.000 0.000
- 93.036 76.364 104.054-106.902
- 93.277 94.326 117.829 -77.426
- 93.279 40.877 114.512 -78.386
- 94.991 68.791 0.000 0.000
- 119.912 -72.093 128.572 -97.556
- 117.958-108.002 113.877-119.741
- 118.447-134.066 113.620-115.666
- 118.315-115.457 112.075-113.955
- 121.595 0.000 121.103 -79.922
- # 44 total E -1.71096E+02 rmsd from N 0.000 %NC 0.00 0
- 93.718 102.135 139.797 -3.527
- 92.578 122.531 146.071 -37.274
- 131.114 -88.534 104.983 -94.751
- 92.714 50.081 150.727-101.025
- 91.198 41.825 118.039 -83.318
- 92.009 54.645 112.197 38.239
- 91.398 38.233 142.397-115.490
- 92.491 81.919 133.061-135.082
- 94.256 -47.160 146.042-143.292
- 96.482 93.026 0.000 0.000
- 94.658 56.998 0.000 0.000
- 93.972 115.147 132.855-158.196
- 92.161 -27.014 121.388 -71.174
- 89.409 -62.490 113.305 -77.094
- 93.413 24.615 0.000 0.000
- 126.227 -80.131 123.861 122.084
- 117.505-107.905 133.892-149.080
- 117.902-137.356 118.850-122.286
- 93.112 59.249 101.421-102.122
- 93.332 0.000 114.484 -77.270
- # 45 total E -1.73310E+02 rmsd from N 0.000 %NC 0.00 0
- 93.690 89.040 145.485 9.891
- 91.808 72.918 127.889 -20.820
- 92.480 45.317 85.312 -83.277
- 92.195 42.785 144.462 -93.633
- 91.033 41.571 116.913-112.566
- 91.646 48.122 139.614 -23.931
- 91.387 42.470 136.844-156.954
- 92.618 67.862 137.337-131.296
- 92.938 -99.420 133.599-120.475
- 94.541 119.967 0.000 0.000
- 94.981 86.750 0.000 0.000
- 93.183 103.720 97.945-105.779
- 122.103-106.095 117.835 -79.700
- 94.439 60.450 115.944 -76.292
- 95.829 75.925 0.000 0.000
- 124.910-103.050 99.787 -60.604
- 118.040-109.019 117.124-123.058
- 117.976-139.105 116.590-119.795
- 93.084 58.542 107.016 -93.900
- 93.333 0.000 114.561 -77.423
- # 46 total E -1.77612E+02 rmsd from N 0.000 %NC 0.00 0
- 93.673 96.116 147.629 -13.191
- 92.624 125.066 142.356 -39.973
- 130.915 -92.465 95.294 -97.162
- 92.813 48.426 147.692-103.355
- 91.126 45.847 113.810 -37.164
- 91.963 46.270 136.104 100.673
- 91.121 52.180 135.280-110.181
- 91.982 54.781 139.406-126.379
- 93.353 100.620 141.951-133.583
- 130.251 -15.127 0.000 0.000
- 125.719 -68.934 0.000 0.000
- 111.242 -52.874 96.595 -84.852
- 89.760 76.420 114.371 -75.850
- 90.682 2.179 114.149 -76.708
- 102.150 -71.677 0.000 0.000
- 129.768 -45.018 124.226-145.478
- 119.874-116.282 108.945-110.808
- 118.573-131.185 123.651-129.907
- 93.046 61.031 130.694-152.918
- 93.330 0.000 114.333 -76.867
- # 47 total E -1.79285E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 47.914 110.455 -81.610
- 92.005 81.094 137.884 -14.462
- 92.453 47.382 101.933 -85.210
- 91.893 41.200 149.747-100.385
- 91.095 44.635 121.830-110.670
- 91.861 45.009 141.212 98.784
- 91.460 54.610 136.105-114.585
- 92.035 63.093 142.253-132.505
- 92.843 144.283 144.857-120.520
- 94.527 124.993 0.000 0.000
- 132.678 -61.142 0.000 0.000
- 112.449 -45.033 94.366 -84.596
- 91.311 86.700 114.690 -75.956
- 91.689 -11.607 112.532 -78.424
- 110.781 -36.432 0.000 0.000
- 133.785 -73.716 133.509-123.950
- 118.860-112.018 112.860-116.777
- 117.708-136.647 129.817-138.569
- 93.099 58.972 101.337 -99.042
- 93.336 0.000 114.626 -77.330
- # 48 total E -1.73615E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 47.856 110.474 -81.633
- 92.013 80.987 138.093 -14.000
- 92.413 47.185 103.006 -83.582
- 92.050 41.661 168.197-143.061
- 90.977 44.509 127.554 -97.797
- 91.809 45.083 147.642 91.742
- 91.397 69.268 132.355-115.953
- 91.915 54.409 133.561-114.295
- 93.273 96.648 107.742 -77.527
- 134.932 -69.798 0.000 0.000
- 133.903 -32.181 0.000 0.000
- 132.504 113.590 113.352-107.395
- 92.644 -30.984 114.677 -77.706
- 90.618 -48.638 114.600 -76.143
- 93.657 65.825 0.000 0.000
- 130.441-107.965 127.262 -41.072
- 117.762-106.332 111.991-115.401
- 117.786-138.904 119.606-124.457
- 93.131 59.969 133.056-157.361
- 93.329 0.000 114.542 -76.774
- # 49 total E -1.75703E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.559 148.007 -27.409
- 91.932 80.384 128.431 5.160
- 92.507 53.557 94.929 -90.774
- 92.106 42.511 148.429 -96.897
- 91.250 60.225 120.638-125.897
- 92.665 72.409 137.939 36.534
- 91.708 133.637 140.964-123.788
- 92.742 87.296 122.016-149.646
- 94.518 -38.434 142.546-125.801
- 95.192 94.833 0.000 0.000
- 127.322 -21.461 0.000 0.000
- 93.104 60.798 90.254 -86.430
- 92.642 47.213 115.589 -70.585
- 93.287 50.574 112.705 -76.125
- 94.703 65.254 0.000 0.000
- 119.892 -76.813 138.711-154.792
- 117.986-107.890 116.625-122.634
- 117.968-137.573 116.315-119.233
- 93.080 59.580 101.744-103.824
- 93.332 0.000 114.422 -77.254
- # 50 total E -1.68061E+02 rmsd from N 0.000 %NC 0.00 0
- 93.674 95.454 147.629 -14.247
- 92.613 124.844 142.272 -41.754
- 131.110 -92.329 94.597 -97.295
- 92.729 49.216 148.235-104.870
- 91.150 45.903 112.819 -32.435
- 92.012 46.389 137.594 92.422
- 91.218 47.103 133.653-113.530
- 91.964 57.873 138.681-138.193
- 93.519 108.600 152.688 -25.455
- 125.457 -67.938 0.000 0.000
- 122.290 -69.067 0.000 0.000
- 91.662 49.896 101.086-100.116
- 93.324 33.240 114.480 -76.785
- 95.934 -91.527 138.125 -23.001
- 126.307 0.014 0.000 0.000
- 130.962 -74.257 124.425 -63.510
- 118.960-108.447 113.424-116.775
- 117.793-139.005 130.342-139.974
- 93.003 58.305 99.800-102.426
- 93.339 0.000 111.919 -80.001
- # 51 total E -1.74971E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.997 110.457 -81.609
- 92.006 81.108 137.869 -14.448
- 92.453 47.393 101.931 -85.214
- 91.894 41.204 149.763-100.426
- 91.097 44.664 121.843-110.665
- 91.864 44.996 141.203 98.686
- 91.464 54.640 136.039-114.527
- 92.034 63.303 142.250-132.448
- 92.852 144.725 144.914-120.780
- 94.503 125.043 0.000 0.000
- 132.835 -60.983 0.000 0.000
- 112.469 -45.637 94.444 -84.422
- 91.284 86.414 114.690 -75.953
- 91.673 -11.154 112.627 -78.365
- 110.644 -37.001 0.000 0.000
- 133.763 -72.316 133.953-124.066
- 118.878-115.267 113.097-117.107
- 117.937-113.611 125.310-131.071
- 117.746-116.231 120.106-123.909
- 121.738 0.000 121.504 -80.603
- # 52 total E -1.73538E+02 rmsd from N 0.000 %NC 0.00 0
- 93.683 84.319 147.486 1.178
- 91.945 72.304 135.519 -30.646
- 92.549 49.494 149.438-105.031
- 91.984 42.290 137.780 -92.970
- 90.989 44.281 112.620-115.684
- 91.565 51.446 112.086 -62.354
- 91.331 43.957 149.613-140.861
- 92.556 64.422 133.127-134.165
- 93.504 -28.361 152.209-129.761
- 128.733-119.850 0.000 0.000
- 94.675 81.573 0.000 0.000
- 92.641 73.775 97.904-104.520
- 92.361 60.503 107.478 -83.090
- 92.675 55.514 114.071 -78.262
- 94.097 67.518 0.000 0.000
- 116.322 -67.154 98.082 -77.387
- 118.157-109.664 117.692-124.447
- 118.379-116.177 111.130-113.065
- 117.916-116.135 113.506-115.300
- 121.727 0.000 121.436 -80.576
- # 53 total E -1.72515E+02 rmsd from N 0.000 %NC 0.00 0
- 93.676 99.227 148.052 -7.756
- 92.634 126.906 140.470 -26.854
- 128.978 -91.799 92.859 -91.721
- 92.582 51.475 143.780-105.032
- 90.952 45.025 125.184 -83.059
- 91.519 49.854 117.089 -24.804
- 91.241 45.743 145.202 -95.129
- 92.411 65.749 135.216-135.518
- 92.950-104.551 133.031-119.887
- 94.785 145.441 0.000 0.000
- 135.778 -73.843 0.000 0.000
- 112.204 108.321 127.346-138.925
- 93.737 108.364 115.446 -75.212
- 94.038 38.983 115.090 -77.593
- 95.588 68.467 0.000 0.000
- 122.707 -85.610 129.265 -99.478
- 117.995-108.947 114.937-120.870
- 117.739-140.793 116.546-119.875
- 93.225 53.291 93.624 -91.336
- 93.348 0.000 115.485 -79.055
- # 54 total E -1.76950E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 45.187 109.808 -81.614
- 92.020 79.711 141.037 -16.725
- 92.410 46.458 121.440 110.797
- 91.719 42.244 147.193 -92.133
- 90.851 44.754 120.807-116.357
- 91.433 52.766 129.064 23.715
- 91.278 43.934 149.170-137.504
- 92.539 77.637 133.032-133.681
- 93.183 -72.116 139.120-125.775
- 95.011 164.310 0.000 0.000
- 136.372 -40.815 0.000 0.000
- 91.764 61.220 98.162-105.208
- 92.267 35.011 113.444 -77.212
- 95.025-109.589 113.132 -75.865
- 95.869 156.838 0.000 0.000
- 129.221 -91.409 135.176 -42.897
- 118.290-111.083 119.617-126.141
- 117.983-115.103 114.123-116.453
- 117.969-116.102 112.618-113.577
- 121.723 0.000 121.405 -80.572
- # 55 total E -1.69867E+02 rmsd from N 0.000 %NC 0.00 0
- 93.675 125.594 110.474 -77.623
- 117.829-116.307 146.044 -29.627
- 92.520 61.349 143.296-106.297
- 91.609 49.380 143.544-112.471
- 90.960 42.713 107.894 -81.573
- 91.796 49.044 109.921-118.574
- 91.133 57.515 137.466-119.333
- 91.739 69.818 138.453-126.163
- 93.245 21.039 137.295-119.148
- 124.275 -15.209 0.000 0.000
- 129.183 -56.216 0.000 0.000
- 121.435 164.958 122.110-125.807
- 93.588 88.095 116.792 -77.621
- 94.298 46.647 115.004 -76.990
- 95.107 67.521 0.000 0.000
- 119.167 -78.625 85.259 -66.621
- 116.994-107.304 120.045-127.566
- 118.122-142.505 112.039-113.078
- 92.880 62.971 103.624-113.616
- 93.328 0.000 110.170 -79.411
- # 56 total E -1.72373E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 47.273 110.329 -81.633
- 92.021 81.383 139.019 -15.264
- 92.493 46.994 104.372 -76.942
- 91.835 42.483 150.615-101.047
- 91.068 42.534 122.529-111.994
- 91.678 47.505 146.691 102.488
- 91.502 49.260 141.861-116.049
- 92.354 78.878 140.142-132.371
- 93.008 5.634 145.633-145.657
- 122.802 -71.816 0.000 0.000
- 122.315 -35.938 0.000 0.000
- 117.311-148.400 121.883-128.021
- 125.116-167.106 121.311 -81.035
- 94.169 53.212 116.068 -76.316
- 95.601 82.376 0.000 0.000
- 125.323 -81.902 157.833 11.518
- 118.008-108.906 109.307-112.916
- 117.720-140.370 118.302-122.489
- 93.107 59.686 135.276-161.690
- 93.329 0.000 114.617 -76.734
- # 57 total E -1.70557E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 90.119 150.705 -19.382
- 92.608 128.585 134.185 -36.921
- 130.810 -96.951 99.323-100.303
- 93.240 46.590 159.562-132.677
- 91.281 48.910 107.017 -43.778
- 92.270 46.313 149.219 89.193
- 91.655 56.480 128.659-110.451
- 92.189 98.000 133.797-115.392
- 93.926 -47.855 148.717-162.419
- 96.208 85.867 0.000 0.000
- 133.510 -84.505 0.000 0.000
- 129.483 140.194 116.472-113.414
- 93.884 73.245 119.144 -76.648
- 94.878 39.124 115.155 -77.035
- 95.756 62.307 0.000 0.000
- 122.633 -82.602 87.284 -62.853
- 116.391-107.117 120.490-128.098
- 118.197-145.323 112.942-114.519
- 92.834 57.700 107.661-111.894
- 93.339 0.000 111.392 -80.311
- # 58 total E -1.76441E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.709 147.999 -27.469
- 91.908 78.628 130.589 -6.127
- 92.440 47.827 97.418 -87.769
- 91.808 42.947 149.373 -98.586
- 91.024 43.914 120.073-116.566
- 91.753 47.067 145.704 39.661
- 91.389 49.595 133.859-135.281
- 92.297 84.168 132.196-111.548
- 94.800 -41.029 141.936-132.525
- 96.276 97.362 0.000 0.000
- 127.375 -22.483 0.000 0.000
- 93.021 61.758 99.834-103.023
- 92.692 47.352 114.240 -72.359
- 93.246 53.045 112.870 -76.900
- 94.650 66.364 0.000 0.000
- 119.908 -78.272 126.690-117.718
- 117.989-109.406 118.007-125.182
- 117.995-118.731 112.547-113.894
- 117.665-116.259 123.831-130.596
- 121.734 0.000 121.554 -80.554
- # 59 total E -1.70846E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 48.830 110.908 -81.849
- 91.912 82.835 130.193 12.147
- 92.539 52.646 93.401 -89.891
- 91.911 42.954 147.651-102.009
- 90.920 58.343 126.364-129.522
- 92.232 51.560 135.889 11.131
- 92.725 114.348 130.185-126.933
- 90.246 -31.289 149.046-145.414
- 90.601 -58.683 150.897 -3.880
- 93.329 22.478 0.000 0.000
- 126.540-105.567 0.000 0.000
- 92.495 76.125 125.067-148.371
- 93.453 61.771 114.301 -76.594
- 93.316 50.496 110.144 -82.753
- 94.910 67.304 0.000 0.000
- 120.352 -78.806 125.995-126.920
- 117.994-107.924 117.227-123.800
- 117.989-137.416 116.063-118.785
- 93.093 59.332 101.691-103.840
- 93.331 0.000 114.433 -77.250
- # 60 total E -1.74601E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 47.903 110.253 -81.392
- 92.000 78.727 138.662 -22.103
- 92.608 46.049 97.199 -80.972
- 92.058 42.015 149.075 -99.841
- 90.999 43.903 120.192-108.523
- 91.727 47.432 166.693 29.123
- 91.354 50.234 137.584-124.363
- 92.313 71.986 138.293-129.599
- 92.837 -54.904 133.328-102.701
- 118.211-158.661 0.000 0.000
- 95.141 56.258 0.000 0.000
- 94.926 113.209 97.824 -99.533
- 92.161 -30.326 129.687 -39.014
- 88.642 -57.796 112.859 -79.890
- 93.361 20.906 0.000 0.000
- 123.022 -82.393 145.358 -5.535
- 116.480-157.426 128.592-141.093
- 93.069 112.866 109.497-110.916
- 93.178 25.601 96.575-102.524
- 93.366 0.000 115.808 -79.032
- # 61 total E -1.71301E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 122.664 109.188 -81.334
- 118.518-116.793 145.994 -30.086
- 92.440 50.425 104.298 -87.114
- 91.416 43.127 147.176-103.179
- 90.974 44.251 100.845 -54.381
- 91.874 44.795 134.812 93.309
- 91.501 52.520 134.610-119.228
- 92.066 63.777 141.510-131.077
- 93.035 146.288 142.565-139.850
- 94.665 123.476 0.000 0.000
- 130.789 -58.467 0.000 0.000
- 128.376 106.267 114.532-111.558
- 92.487 -32.298 116.249 -80.478
- 90.607 -48.109 114.667 -76.064
- 93.713 70.108 0.000 0.000
- 128.374-113.270 150.864 69.235
- 117.901-107.629 121.273-132.598
- 117.845-133.375 115.441-116.973
- 117.316-116.140 134.196-146.583
- 121.696 0.000 121.557 -80.327
- # 62 total E -1.73026E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 80.274 147.785 -25.119
- 92.566 126.937 141.660 -43.372
- 131.565 -91.471 93.930 -99.764
- 92.823 48.681 147.987-100.235
- 91.174 46.771 113.126 -49.275
- 91.995 47.518 150.557 51.164
- 91.372 54.656 134.320-115.644
- 91.946 63.848 138.833-131.004
- 92.889 166.413 132.088-127.824
- 95.024 119.203 0.000 0.000
- 128.989 -57.437 0.000 0.000
- 128.186 105.632 114.412-111.520
- 92.423 -32.668 115.847 -80.564
- 90.466 -47.171 114.506 -76.066
- 93.639 70.009 0.000 0.000
- 128.056-114.321 176.432 169.027
- 117.497-107.661 123.685-135.362
- 117.938-133.791 115.322-116.680
- 117.347-116.120 134.158-146.486
- 121.696 0.000 121.532 -80.342
- # 63 total E -1.71303E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 48.533 147.832 -27.371
- 91.991 80.277 135.948 -13.388
- 92.496 46.310 102.108 -86.075
- 91.779 42.173 151.113 -98.551
- 90.920 45.971 120.163-113.092
- 91.744 45.964 118.581 56.545
- 91.334 49.300 131.997-130.930
- 92.199 55.354 139.450-133.716
- 93.899-159.166 141.684-120.281
- 132.280 -55.797 0.000 0.000
- 94.518 75.537 0.000 0.000
- 93.977 126.292 94.846-100.699
- 92.366 -28.031 116.112 -73.402
- 89.990 -62.785 112.469 -76.718
- 93.298 49.477 0.000 0.000
- 129.841 -80.932 90.416 -64.142
- 117.687-108.024 126.998-138.779
- 116.320-135.071 97.392 -87.917
- 92.973 68.267 103.593-112.464
- 93.314 0.000 111.322 -75.908
- # 64 total E -1.85283E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 47.363 148.037 -28.006
- 91.901 78.571 130.716 -2.002
- 92.389 48.664 98.711 -87.884
- 91.804 42.746 150.673 -98.796
- 90.982 44.440 123.014-116.373
- 91.809 44.871 125.070 89.783
- 91.273 53.238 132.436-127.447
- 92.020 51.961 141.772-125.847
- 93.453 99.946 157.832 -7.739
- 130.595 -12.607 0.000 0.000
- 125.480 -70.480 0.000 0.000
- 110.675 -52.091 96.386 -85.172
- 89.768 76.400 114.362 -75.848
- 90.715 2.548 113.923 -76.843
- 101.585 -73.510 0.000 0.000
- 128.891 -44.177 121.366-142.832
- 120.790-145.881 110.850-113.006
- 119.619-110.420 112.469-112.785
- 93.120 64.137 125.411-146.098
- 93.321 0.000 112.747 -76.967
- # 65 total E -1.71600E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.403 148.032 -27.782
- 91.903 78.425 130.676 -1.484
- 92.396 48.545 98.979 -88.153
- 91.793 43.131 150.538 -98.433
- 90.991 44.142 123.200-117.036
- 91.847 46.474 125.166 92.166
- 91.391 51.673 133.594-129.408
- 92.021 67.010 140.836-131.129
- 93.207 136.775 147.352-168.182
- 129.648 -69.435 0.000 0.000
- 132.948 -32.311 0.000 0.000
- 110.614 -29.437 124.308-134.924
- 92.178 91.815 115.089 -76.376
- 91.572 -24.349 110.050 -76.992
- 105.315 -91.215 0.000 0.000
- 126.355-112.130 123.065 81.984
- 118.352-108.980 124.441-132.990
- 117.807-116.949 121.637-124.442
- 117.767-116.236 120.555-124.773
- 121.741 0.000 121.519 -80.598
- # 66 total E -1.67652E+02 rmsd from N 0.000 %NC 0.00 0
- 93.660 122.970 109.537 -81.157
- 118.309-115.939 144.921 -31.792
- 92.350 49.961 104.646 -87.556
- 91.296 45.067 147.153-101.668
- 90.859 44.011 117.195 -69.357
- 91.770 44.889 127.970 41.135
- 91.437 46.726 133.334-130.463
- 92.457 63.197 140.423-133.028
- 93.160 -82.851 136.421-110.876
- 122.513 -76.274 0.000 0.000
- 131.008 -51.576 0.000 0.000
- 92.633 64.594 100.760-102.427
- 93.170 53.167 113.461 -76.707
- 93.319 50.677 117.569 -77.274
- 94.769 66.162 0.000 0.000
- 120.066 -77.761 126.279-116.370
- 117.953-107.980 117.239-123.947
- 117.976-137.527 116.088-118.805
- 93.086 59.368 101.693-103.810
- 93.333 0.000 114.432 -77.251
- # 67 total E -1.73973E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 48.630 110.524 -81.502
- 92.023 82.510 135.004 -15.607
- 92.630 49.228 94.170 -83.972
- 92.193 41.236 148.229-103.706
- 91.035 53.912 127.156 -89.091
- 92.333 45.891 151.153 7.142
- 92.669 116.028 126.219-131.804
- 90.147 -27.008 147.780-151.545
- 89.850 -57.485 141.642-118.520
- 94.028 12.463 0.000 0.000
- 109.062 -60.390 0.000 0.000
- 86.167 -29.395 131.491-160.476
- 92.927 118.336 115.083 -76.152
- 95.513 38.598 138.950 -59.880
- 95.522 76.720 0.000 0.000
- 120.293 -81.732 102.330 -57.441
- 117.461-107.119 120.366-127.339
- 118.015-138.816 113.491-114.974
- 93.041 59.595 105.335-113.094
- 93.330 0.000 114.299 -77.178
- # 68 total E -1.77487E+02 rmsd from N 0.000 %NC 0.00 0
- 93.687 86.285 146.096 5.934
- 91.910 74.435 139.584 -20.253
- 92.391 46.011 137.027 109.121
- 91.841 43.997 137.768 -85.977
- 90.939 43.032 117.246-119.805
- 91.495 50.781 134.711 -7.345
- 91.381 44.381 151.849-175.970
- 92.586 72.559 134.934-130.643
- 93.105 -87.144 133.622-120.359
- 94.567 154.510 0.000 0.000
- 137.125 -49.158 0.000 0.000
- 92.497 61.832 95.437-102.549
- 92.708 50.343 113.727 -74.518
- 93.325 51.370 112.963 -79.022
- 94.772 66.805 0.000 0.000
- 120.137 -78.230 125.717-116.221
- 117.974-109.449 118.015-125.212
- 117.992-118.483 112.539-113.880
- 117.673-116.249 123.830-130.608
- 121.734 0.000 121.554 -80.554
- # 69 total E -1.70710E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 122.890 109.421 -81.225
- 118.715-115.303 144.199 -31.726
- 92.372 49.674 105.682 -86.981
- 91.183 44.817 148.295-101.422
- 90.806 43.741 107.130 -59.211
- 91.620 46.067 119.358 56.029
- 91.151 45.584 133.205-132.661
- 91.408 61.191 138.847-134.347
- 92.745 45.028 141.690-131.735
- 95.476 66.243 0.000 0.000
- 131.876 -62.692 0.000 0.000
- 93.034 72.258 101.207-101.099
- 93.392 5.670 114.173 -76.274
- 121.660-141.152 118.348 -77.914
- 94.954 142.667 0.000 0.000
- 129.778 -87.594 131.169 -68.391
- 118.214-106.892 117.648-124.402
- 118.189-138.246 113.042-115.111
- 93.055 59.475 102.912-109.122
- 93.332 0.000 114.276 -77.302
- # 70 total E -1.68762E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 37.066 106.413 -80.784
- 92.485 155.290 133.656 -13.702
- 93.368 85.505 100.823 -64.683
- 94.153 4.395 170.002-165.689
- 91.625 -88.811 115.705 -37.533
- 116.893 161.737 101.488 -72.670
- 92.104 87.642 140.968 -11.040
- 92.759 74.060 133.638-138.899
- 93.321 170.528 139.839-140.138
- 94.838 117.135 0.000 0.000
- 129.079 -53.488 0.000 0.000
- 128.309 107.985 114.424-111.487
- 92.526 -30.826 117.012 -79.025
- 90.571 -49.462 114.643 -76.092
- 93.700 67.124 0.000 0.000
- 128.025-118.777 144.699 -5.383
- 117.452-106.411 121.442-130.826
- 117.518-140.742 119.635-123.306
- 93.094 59.054 108.923-111.144
- 93.332 0.000 114.444 -77.184
- # 71 total E -1.68809E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.866 147.980 -27.115
- 91.899 78.885 130.344 -5.019
- 92.436 47.421 95.483 -87.906
- 91.811 43.415 149.201 -99.328
- 90.938 43.430 121.227-117.785
- 91.766 47.190 140.937 21.907
- 91.551 46.385 137.560-129.434
- 92.663 72.880 138.826-131.583
- 93.076 -94.511 135.084-116.858
- 94.615 157.186 0.000 0.000
- 139.216 -60.401 0.000 0.000
- 93.291 70.618 126.979-148.860
- 93.692 121.819 111.644 -77.220
- 93.829 11.696 115.712 -77.848
- 123.748-139.080 0.000 0.000
- 128.180 -82.745 143.497 142.501
- 117.991-108.634 117.191-123.961
- 118.039-136.773 116.137-118.827
- 93.108 59.483 101.568-103.311
- 93.332 0.000 114.451 -77.296
- # 72 total E -1.70141E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 48.295 147.984 -27.722
- 91.959 82.540 126.866 6.170
- 92.689 53.884 95.539 -93.199
- 92.247 44.987 145.397-100.044
- 91.217 66.811 124.159-127.198
- 92.669 61.746 128.371 37.846
- 92.433-173.445 130.567-125.527
- 127.598 -54.660 144.421 155.184
- 96.712 -67.634 148.615 -24.333
- 94.943 61.559 0.000 0.000
- 93.966 51.975 0.000 0.000
- 93.496 125.278 130.651-154.023
- 90.915 -27.410 121.973 -72.630
- 89.003 -61.124 113.003 -76.044
- 93.651 31.155 0.000 0.000
- 128.069 -81.011 118.824 -52.756
- 117.528-107.516 129.217-140.823
- 117.863-137.415 116.537-118.772
- 93.185 60.500 130.523-154.197
- 93.328 0.000 114.351 -76.791
- # 73 total E -1.73235E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 122.946 109.485 -81.164
- 118.993-113.535 146.086 -30.950
- 92.400 49.845 103.733 -87.425
- 91.344 44.729 145.318-100.376
- 90.903 44.051 115.120 -68.338
- 91.840 47.492 138.859 41.609
- 91.737 51.043 134.838-139.901
- 92.701 80.358 138.426-129.302
- 113.187-112.796 145.970-128.739
- 95.288 155.119 0.000 0.000
- 132.081 -67.165 0.000 0.000
- 128.226 100.606 114.162-111.715
- 92.515 -34.216 115.748 -80.568
- 90.653 -45.722 114.649 -76.120
- 93.862 71.408 0.000 0.000
- 128.312-111.307 113.736 -44.591
- 117.674-106.195 125.659-135.069
- 117.977-137.960 115.696-117.774
- 93.158 60.468 130.401-154.396
- 93.328 0.000 114.320 -76.799
- # 74 total E -1.72368E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 43.176 110.089 -82.299
- 92.530 152.736 136.853 -8.374
- 92.151 78.298 93.987 -84.644
- 92.957 22.763 166.093-149.188
- 91.866-104.599 117.960 -19.732
- 93.787 144.326 106.216 -40.949
- 92.081 62.779 169.852-154.096
- 93.795 85.016 132.917 -99.118
- 92.961 -92.809 142.499 175.350
- 94.772 30.087 0.000 0.000
- 131.928 -64.788 0.000 0.000
- 116.936 176.554 121.579-127.708
- 130.018-160.322 132.942 21.488
- 121.262 178.426 121.295 -78.556
- 95.200 81.171 0.000 0.000
- 127.350 -82.349 144.845-178.137
- 118.105-108.414 116.825-123.057
- 118.030-136.877 116.569-119.486
- 93.106 59.439 101.561-103.214
- 93.329 0.000 114.436 -77.254
- # 75 total E -1.71757E+02 rmsd from N 0.000 %NC 0.00 0
- 93.638 47.725 110.374 -81.617
- 92.010 82.899 140.958 -12.155
- 92.317 46.905 103.366 -75.526
- 91.714 44.239 146.470 -96.886
- 90.854 42.158 122.834-118.061
- 91.335 48.502 113.293 17.863
- 91.369 42.423 152.056-129.101
- 92.512 65.338 137.117-134.005
- 93.240 -49.264 132.741-112.454
- 122.674-141.269 0.000 0.000
- 94.714 63.477 0.000 0.000
- 93.582 76.516 97.803-100.194
- 93.611 6.720 140.722-139.849
- 121.765-119.653 121.647 -79.014
- 95.242 154.937 0.000 0.000
- 129.684 -92.633 149.247 -92.126
- 118.636-108.979 114.054-119.443
- 117.988-136.684 115.693-118.404
- 93.139 60.504 132.319-155.331
- 93.329 0.000 114.329 -76.834
- # 76 total E -1.68304E+02 rmsd from N 0.000 %NC 0.00 0
- 93.692 89.929 144.365 -9.020
- 92.542 135.473 141.577 -31.589
- 128.052 -29.981 105.390-102.258
- 123.986-176.881 140.266 -65.905
- 90.700 -28.016 154.211 118.664
- 103.365 -83.003 124.888 -44.395
- 92.162 58.222 136.878-100.868
- 94.068 65.628 132.468-121.300
- 120.209-144.439 108.697 -97.142
- 94.797 100.661 0.000 0.000
- 125.088 -54.553 0.000 0.000
- 123.289 112.845 132.420-139.875
- 93.468 81.971 137.040-102.290
- 93.802 42.162 141.004-126.705
- 94.377 52.369 0.000 0.000
- 109.281 -60.653 113.814-116.250
- 116.716-103.782 118.403-126.415
- 118.284-145.576 112.795-114.224
- 92.925 56.014 100.791-109.787
- 93.341 0.000 111.738 -80.675
- # 77 total E -1.78780E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 49.183 147.797 -26.736
- 91.915 77.429 130.555 -9.721
- 92.698 45.486 98.950 -88.656
- 91.879 43.549 149.743 -95.407
- 90.941 43.491 118.153-114.552
- 91.804 49.050 116.599 37.484
- 91.222 44.193 137.152-140.520
- 92.444 71.820 137.053-133.504
- 93.795 -93.506 142.486-115.225
- 137.716 -78.367 0.000 0.000
- 135.999 -24.986 0.000 0.000
- 110.844 -29.627 94.981 -84.713
- 91.809 93.434 114.713 -76.088
- 91.769 -18.097 109.326 -78.084
- 111.205 -33.691 0.000 0.000
- 130.944 -72.530 127.463 -65.259
- 118.418-112.689 111.511-114.762
- 117.133-143.129 124.525-132.095
- 93.001 53.996 108.843-111.542
- 93.345 0.000 114.586 -79.219
- # 78 total E -1.71124E+02 rmsd from N 0.000 %NC 0.00 0
- 93.660 122.907 109.423 -81.229
- 118.318-116.044 144.014 -31.740
- 92.387 49.358 105.768 -87.144
- 91.226 44.794 148.644-100.901
- 90.834 43.422 106.547 -58.166
- 91.602 45.064 121.438 57.857
- 91.023 45.596 132.889-131.155
- 91.169 54.851 141.243-130.722
- 92.724 35.023 141.090-125.132
- 95.168 49.334 0.000 0.000
- 94.564 44.006 0.000 0.000
- 91.976 50.711 96.434 -98.062
- 91.616 50.504 111.969 -77.733
- 92.671 51.328 111.906 -78.537
- 94.663 66.155 0.000 0.000
- 119.096 -78.593 126.918-119.481
- 118.002-107.904 117.293-123.973
- 117.987-137.443 116.081-118.796
- 93.091 59.252 101.659-103.766
- 93.332 0.000 114.437 -77.252
- # 79 total E -1.69144E+02 rmsd from N 0.000 %NC 0.00 0
- 93.669 89.385 147.096 -18.903
- 92.661 126.911 143.189 -34.955
- 130.414 -94.540 95.235-100.983
- 92.828 49.413 148.715-100.410
- 91.188 45.545 108.997 -43.116
- 92.119 47.021 150.217 98.332
- 91.594 47.783 136.548-103.977
- 92.807 70.821 139.374-135.456
- 93.325 -61.834 144.354-120.704
- 119.983-157.064 0.000 0.000
- 94.968 59.910 0.000 0.000
- 94.933 113.785 97.493 -99.666
- 92.086 -31.380 132.286 -39.206
- 88.422 -56.755 113.354 -76.628
- 93.165 22.517 0.000 0.000
- 124.487 -90.382 143.747 20.660
- 117.564-107.508 129.573-140.631
- 118.034-127.709 113.177-114.575
- 117.481-116.342 129.167-138.227
- 121.757 0.000 121.575 -80.699
- # 80 total E -1.71638E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 48.059 110.569 -81.697
- 91.998 81.363 136.266 -11.616
- 92.440 47.270 102.000 -85.768
- 91.844 41.827 150.087 -99.951
- 91.072 44.141 122.456-112.507
- 91.824 45.542 135.293 95.743
- 91.327 51.911 135.333-122.228
- 91.636 67.963 141.906-137.178
- 92.804 59.225 148.624 -22.061
- 95.029 65.047 0.000 0.000
- 129.124 -64.335 0.000 0.000
- 117.670-132.572 130.814-140.026
- 125.805-130.413 119.299 -78.937
- 94.096 52.962 115.985 -76.258
- 95.107 74.846 0.000 0.000
- 123.082 -76.645 100.999 -61.188
- 116.833-105.611 120.007-127.386
- 118.063-139.848 113.264-114.673
- 93.011 59.556 106.562-115.310
- 93.332 0.000 114.304 -77.177
- # 81 total E -1.75501E+02 rmsd from N 0.000 %NC 0.00 0
- 93.687 89.692 145.788 11.732
- 91.917 75.818 140.323 -17.862
- 92.260 47.274 98.215 -80.157
- 91.559 43.716 147.019-107.535
- 90.829 45.080 121.887-112.265
- 91.406 50.003 155.028 118.021
- 91.264 55.482 129.863 -50.858
- 91.938 92.955 133.380-122.038
- 93.622 -46.440 106.977 -86.355
- 96.004 93.211 0.000 0.000
- 132.444 -49.575 0.000 0.000
- 118.025-133.960 121.206-126.815
- 127.713-158.643 122.538 -80.979
- 125.233-170.505 123.914 -81.780
- 95.132 83.914 0.000 0.000
- 128.040 -88.582 72.565 -69.445
- 117.816-107.577 118.402-124.562
- 118.093-136.303 116.276-118.141
- 93.066 61.052 99.917-103.550
- 93.329 0.000 112.972 -77.818
- # 82 total E -1.74147E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 89.820 150.124 -20.619
- 92.582 127.094 142.341 -43.295
- 131.487 -91.722 93.960-100.363
- 92.776 48.675 149.677-104.161
- 91.179 44.066 110.897 -42.021
- 92.004 48.353 151.411 100.434
- 91.362 49.902 136.830-110.910
- 92.370 83.248 133.225-115.650
- 95.034 -38.599 147.052-144.910
- 96.500 98.200 0.000 0.000
- 127.457 -25.446 0.000 0.000
- 92.986 62.498 101.740-101.161
- 92.695 47.566 114.234 -71.976
- 93.252 52.520 112.895 -76.664
- 94.640 65.981 0.000 0.000
- 119.748 -77.857 126.730-116.341
- 117.984-107.849 117.249-123.948
- 117.965-137.581 116.072-118.794
- 93.086 59.356 101.733-103.891
- 93.332 0.000 114.434 -77.250
- # 83 total E -1.72623E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 48.297 147.953 -27.912
- 91.894 79.149 130.008 -2.759
- 92.476 47.762 98.571 -89.512
- 91.719 44.069 152.214 -96.775
- 90.997 43.619 123.104-118.199
- 92.104 49.237 120.545 74.976
- 92.093 42.173 133.652-133.934
- 93.402 90.019 138.371-133.565
- 130.985 3.942 157.920 162.469
- 130.450 -33.162 0.000 0.000
- 127.584 -60.835 0.000 0.000
- 100.978 -29.784 131.360-152.324
- 91.302 96.806 115.263 -76.119
- 91.271 -17.086 112.822 -76.850
- 99.435 -66.121 0.000 0.000
- 127.337 -47.472 143.472-151.707
- 118.366-112.087 110.646-116.668
- 117.884-135.066 118.708-123.629
- 116.968-110.468 132.854-144.134
- 94.592 0.000 116.493 -77.152
- # 84 total E -1.70427E+02 rmsd from N 0.000 %NC 0.00 0
- 93.683 88.526 146.467 9.603
- 91.931 74.485 141.712 -23.062
- 92.294 48.294 99.304 -71.650
- 91.746 42.756 145.424-109.649
- 90.861 45.217 113.649 -37.237
- 91.562 49.469 161.104 128.634
- 91.393 57.193 129.970 -49.644
- 92.045 93.106 136.134-129.753
- 93.587 -47.898 145.498-125.676
- 95.962 94.613 0.000 0.000
- 132.679 -50.332 0.000 0.000
- 118.036-134.347 122.317-128.397
- 128.121-156.163 122.609 -80.993
- 124.346-169.987 123.719 -81.166
- 95.225 85.021 0.000 0.000
- 128.007 -91.614 73.089 -68.551
- 117.860-109.671 118.459-124.664
- 117.948-116.617 114.736-116.109
- 117.718-116.250 123.735-130.160
- 121.733 0.000 121.547 -80.557
- # 85 total E -1.71142E+02 rmsd from N 0.000 %NC 0.00 0
- 93.690 86.971 145.497 8.840
- 91.807 79.168 128.631 17.790
- 92.412 53.390 89.020 -89.364
- 91.955 43.314 142.159 -98.667
- 90.940 60.784 126.794-130.774
- 92.168 55.064 135.672 -8.372
- 92.588 116.287 134.957-124.764
- 90.313 -26.607 147.164-146.839
- 89.976 -59.709 139.829-114.394
- 92.776 20.896 0.000 0.000
- 114.941 -77.451 0.000 0.000
- 115.455 14.149 135.521-152.995
- 92.946 -53.720 116.223 -79.802
- 91.167 -4.787 115.042 -76.104
- 119.796 -22.684 0.000 0.000
- 120.335 -74.314 127.111 114.299
- 117.707-109.392 117.814-125.007
- 117.835-136.667 121.690-126.797
- 93.116 59.239 101.327-100.619
- 93.332 0.000 114.565 -77.282
- # 86 total E -1.71976E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 49.108 148.063 -27.262
- 91.956 81.565 128.964 3.187
- 92.853 48.735 95.902 -89.221
- 92.194 56.311 142.708 -98.141
- 91.243 57.600 130.051-135.234
- 92.727 110.312 149.059 97.775
- 91.535 -24.468 152.216-112.247
- 94.620 -66.228 135.022-137.935
- 113.296 -65.877 107.790 -81.065
- 94.337 58.895 0.000 0.000
- 95.269 46.483 0.000 0.000
- 92.530 50.273 127.654-150.056
- 91.771 51.594 116.712 -78.427
- 92.832 47.472 111.908 -78.498
- 94.697 63.797 0.000 0.000
- 119.749 -81.472 83.439 -66.927
- 117.356-106.667 119.969-127.334
- 117.972-139.706 111.803-112.894
- 93.014 57.840 107.087-118.925
- 93.336 0.000 114.357 -77.910
- # 87 total E -1.70433E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.489 110.461 -81.470
- 92.032 78.938 138.588 -14.786
- 92.487 46.829 94.763 -85.977
- 91.610 43.046 146.637-114.844
- 90.843 46.088 124.233-108.878
- 91.575 46.267 145.660 103.358
- 91.278 54.688 135.558 -92.765
- 92.072 68.743 138.387-132.698
- 93.182 74.744 143.621-128.837
- 130.279 -55.989 0.000 0.000
- 125.539 -30.260 0.000 0.000
- 117.546-139.991 123.751-130.592
- 128.909-148.077 122.901 -80.961
- 124.061 -78.469 121.267 -79.676
- 95.121 162.407 0.000 0.000
- 130.121-100.102 101.062 -57.914
- 117.121-106.463 120.052-127.592
- 117.810-140.402 112.070-113.380
- 93.016 55.954 101.535-110.859
- 93.347 0.000 112.027 -80.865
- # 88 total E -1.72363E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 122.583 109.120 -81.303
- 118.600-116.182 146.040 -30.218
- 92.424 50.134 104.246 -86.929
- 91.410 43.142 147.242-101.116
- 90.916 44.295 101.875 -54.482
- 91.777 45.709 131.790 99.905
- 91.354 55.228 136.423-119.629
- 91.912 65.551 142.259-137.220
- 92.787 142.977 151.863 -23.377
- 94.607 128.741 0.000 0.000
- 132.784 -60.241 0.000 0.000
- 112.592 -44.507 94.239 -84.499
- 91.370 86.982 114.693 -75.956
- 91.707 -12.166 112.382 -78.256
- 111.086 -35.601 0.000 0.000
- 133.791 -74.196 127.177-128.515
- 118.826-111.906 112.969-116.894
- 117.714-136.661 130.014-138.917
- 93.097 58.935 101.300 -98.911
- 93.334 0.000 114.630 -77.332
- # 89 total E -1.69627E+02 rmsd from N 0.000 %NC 0.00 0
- 93.682 81.870 147.782 0.585
- 91.942 77.797 136.617 -23.098
- 92.536 46.190 138.411-109.662
- 91.806 49.818 128.453 -86.072
- 90.966 43.735 119.184-124.037
- 91.514 49.221 100.891 -63.920
- 91.519 42.541 162.277-159.047
- 92.784 76.162 135.126-134.951
- 92.987 -44.887 145.826 -49.092
- 122.820 -50.739 0.000 0.000
- 120.057 -28.398 0.000 0.000
- 116.959-144.054 121.962-128.342
- 126.460-157.928 117.841 -85.742
- 94.297 54.072 116.065 -76.322
- 95.442 76.763 0.000 0.000
- 124.548 -75.842 157.914-164.592
- 117.284-106.969 109.749-114.816
- 117.958-135.626 112.797-114.568
- 117.281-116.335 133.545-146.944
- 121.743 0.000 121.641 -80.553
- # 90 total E -1.67925E+02 rmsd from N 0.000 %NC 0.00 0
- 93.690 124.796 148.799 -20.288
- 118.631-116.452 145.660 -30.763
- 92.484 49.580 103.830 -86.766
- 91.486 43.416 147.427-101.900
- 91.094 43.378 101.774 -53.674
- 91.869 45.570 147.194 92.975
- 91.618 50.924 137.310-116.251
- 92.586 70.600 141.424-132.164
- 93.132 -56.816 143.672-122.964
- 118.575-156.865 0.000 0.000
- 95.094 58.237 0.000 0.000
- 95.047 113.435 97.622 -99.497
- 92.086 -31.461 133.059 -38.660
- 88.420 -56.909 113.460 -76.701
- 93.127 23.446 0.000 0.000
- 124.196 -88.676 144.435 4.284
- 117.693-108.422 128.506-140.157
- 118.130-118.318 112.813-113.953
- 117.579-116.488 124.088-130.877
- 121.792 0.000 121.624 -80.867
- # 91 total E -1.73005E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 47.880 110.369 -81.522
- 92.011 81.088 139.516 -12.723
- 92.407 46.192 103.144 -83.486
- 91.863 41.114 150.762 -99.782
- 90.991 44.634 128.016 -97.578
- 91.691 45.363 131.426 98.082
- 91.230 48.045 135.269-121.878
- 91.430 67.829 139.899-130.464
- 92.707 45.589 139.713-159.611
- 94.795 66.603 0.000 0.000
- 124.174 -27.911 0.000 0.000
- 93.442 81.261 100.699-101.224
- 124.050 -86.646 119.280 -80.223
- 129.689 -85.351 122.418 -80.524
- 95.580 165.624 0.000 0.000
- 129.166 -95.762 103.173 -54.458
- 117.876-106.926 124.520-132.941
- 118.071-136.843 112.064-113.061
- 93.055 56.323 99.621-104.348
- 93.343 0.000 114.353 -78.950
- # 92 total E -1.70827E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 48.188 110.481 -81.560
- 92.024 79.356 138.156 -14.735
- 92.470 47.012 98.491 -89.418
- 91.529 43.416 150.953-111.381
- 90.782 44.752 124.390-109.865
- 91.321 50.508 149.125 102.287
- 91.282 47.477 140.774-104.460
- 92.181 83.104 134.917-137.010
- 94.731 -34.173 146.771-153.919
- 96.758 93.251 0.000 0.000
- 122.880 -22.586 0.000 0.000
- 120.924-174.086 111.837-112.455
- 94.147 104.687 134.989-113.000
- 125.285 -92.445 120.289 -80.829
- 95.236 161.295 0.000 0.000
- 128.807 -83.298 92.770 -65.430
- 117.322-107.175 119.625-127.019
- 118.023-138.761 111.734-112.909
- 93.031 57.759 102.323-113.889
- 93.342 0.000 113.718 -78.604
- # 93 total E -1.71526E+02 rmsd from N 0.000 %NC 0.00 0
- 93.665 123.955 109.920 -80.321
- 120.605-113.304 141.156 -37.231
- 92.436 49.287 116.450 -40.182
- 91.570 51.708 151.405-100.237
- 90.766 45.331 112.289 -63.972
- 91.535 48.244 123.510-124.757
- 91.387 54.352 140.996 -95.115
- 92.092 92.528 138.495-125.762
- 93.549 -44.439 140.044-123.873
- 95.873 93.509 0.000 0.000
- 131.707 -39.211 0.000 0.000
- 118.915-133.689 113.021-115.226
- 124.527-152.278 121.561 -80.453
- 132.197-167.652 126.197 -80.540
- 94.621 96.705 0.000 0.000
- 128.366 -69.880 98.851 -78.487
- 117.740-105.030 118.347-125.607
- 118.374-131.773 113.471-114.943
- 93.138 66.032 97.924-107.403
- 93.314 0.000 114.320 -74.029
- # 94 total E -1.68730E+02 rmsd from N 0.000 %NC 0.00 0
- 93.663 123.227 109.303 -80.471
- 122.099-109.006 154.824 -22.837
- 92.594 49.031 123.217 -43.282
- 91.551 50.972 171.029-144.673
- 90.688 44.762 113.617 -67.810
- 91.325 48.707 122.562-125.009
- 91.319 49.180 143.296-116.579
- 91.834 87.744 137.698-123.368
- 93.718 -48.852 141.972-124.311
- 96.504 92.489 0.000 0.000
- 95.119 66.445 0.000 0.000
- 113.819 -32.677 141.239-160.721
- 92.314 80.264 114.941 -76.196
- 92.205 -5.516 133.968-118.021
- 113.923 -42.407 0.000 0.000
- 134.187 -81.245 118.081 -57.226
- 117.742-108.954 116.041-120.760
- 117.867-136.566 119.423-123.794
- 93.097 64.443 130.972-154.756
- 93.322 0.000 112.264 -76.853
- # 95 total E -1.74116E+02 rmsd from N 0.000 %NC 0.00 0
- 93.688 87.383 145.623 7.487
- 91.913 73.737 138.885 -20.830
- 92.408 46.427 133.561 115.502
- 91.863 43.304 141.756 -90.073
- 90.957 43.869 117.180-115.969
- 91.642 46.766 146.706 -12.026
- 91.563 44.859 147.206-140.658
- 92.798 76.469 137.187-125.294
- 93.174 -97.543 107.789 -75.321
- 94.764 108.775 0.000 0.000
- 95.028 76.680 0.000 0.000
- 113.219 -38.259 91.340 -92.812
- 92.212 79.174 114.557 -76.232
- 92.321 -4.012 123.225 -81.735
- 114.472 -37.041 0.000 0.000
- 135.035 -77.556 143.245 -56.440
- 118.088-109.953 113.352-117.619
- 117.541-120.941 137.186-150.796
- 93.290 60.122 96.365-101.794
- 93.332 0.000 117.335 -75.447
- # 96 total E -1.70254E+02 rmsd from N 0.000 %NC 0.00 0
- 93.673 69.039 144.621 -24.152
- 92.612 127.090 147.411 -33.490
- 130.604 -92.673 94.232-104.137
- 92.777 48.027 148.189-100.840
- 91.165 44.265 107.079 -66.833
- 92.180 46.764 152.414 38.200
- 91.472 46.896 135.985-101.783
- 92.580 65.903 139.597-133.922
- 93.252-104.105 134.654-110.632
- 94.595 154.144 0.000 0.000
- 137.624 -59.016 0.000 0.000
- 118.425-139.023 115.457-119.421
- 125.144-149.336 121.789 -80.515
- 127.384 -99.710 119.662 -81.966
- 95.194 77.079 0.000 0.000
- 130.020 -79.730 111.990 -80.111
- 118.115-107.631 117.440-124.237
- 117.874-134.197 113.949-115.753
- 92.985 60.438 96.370-105.675
- 93.335 0.000 110.910 -80.168
- # 97 total E -1.71341E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 49.737 147.832 -26.540
- 91.919 77.728 129.629 -12.560
- 92.648 44.857 96.529 -86.555
- 91.962 43.308 148.373 -97.723
- 90.978 44.070 119.072-114.173
- 91.871 45.984 141.735 27.046
- 91.444 46.480 132.671-143.733
- 92.479 74.597 139.412-130.680
- 93.181-100.690 136.872-115.067
- 95.179 157.966 0.000 0.000
- 135.310 -72.187 0.000 0.000
- 118.217 -93.994 117.903-123.182
- 93.763 72.962 115.496 -76.703
- 124.517 -99.378 118.772 -80.402
- 95.041 155.058 0.000 0.000
- 129.261 -98.472 129.872 -41.178
- 118.023-107.323 116.234-120.520
- 117.687-136.875 120.928-125.625
- 93.197 60.448 130.056-153.451
- 93.333 0.000 114.320 -76.862
- # 98 total E -1.76815E+02 rmsd from N 0.000 %NC 0.00 0
- 93.691 90.684 144.995 13.114
- 91.888 74.785 140.758 -18.346
- 92.213 47.068 98.845 -77.757
- 91.602 43.529 148.560-100.446
- 90.824 44.026 120.675-113.197
- 91.670 45.944 156.385 121.435
- 91.416 63.949 142.039 -52.426
- 91.678 95.775 131.469-106.649
- 93.572 -42.241 141.651-125.645
- 96.158 84.208 0.000 0.000
- 133.207 -79.527 0.000 0.000
- 130.270 146.146 117.859-114.647
- 93.778 73.775 116.334 -74.684
- 94.319 46.238 115.026 -76.965
- 95.466 71.163 0.000 0.000
- 123.277 -89.156 118.932 -70.778
- 118.189-109.179 116.757-123.150
- 117.525-138.870 114.856-117.553
- 93.086 59.349 106.110-105.069
- 93.332 0.000 113.958 -77.591
- # 99 total E -1.81926E+02 rmsd from N 0.000 %NC 0.00 0
- 93.689 86.845 145.684 6.371
- 91.904 72.993 142.970 -22.603
- 92.123 48.194 122.558 109.328
- 91.499 42.274 143.293 -90.716
- 90.805 45.045 118.076-117.602
- 91.448 52.426 126.762 24.620
- 91.281 44.558 150.170-140.709
- 92.501 78.473 133.080-133.078
- 93.169 -70.865 139.911-126.007
- 95.096 165.030 0.000 0.000
- 135.867 -41.272 0.000 0.000
- 91.807 61.736 98.678-105.337
- 92.302 34.586 113.476 -77.158
- 95.049-109.905 113.173 -75.953
- 95.794 156.124 0.000 0.000
- 129.313 -90.954 135.008 -42.454
- 118.129-108.636 119.549-125.962
- 118.032-137.276 115.786-118.825
- 93.096 58.182 98.467 -93.424
- 93.338 0.000 114.402 -77.879
- # 100 total E -1.70108E+02 rmsd from N 0.000 %NC 0.00 0
- 93.693 90.652 144.439 13.691
- 91.862 77.458 141.072 -21.753
- 92.399 45.881 85.399 -83.226
- 91.668 45.741 146.433-104.311
- 90.777 44.484 122.283-114.920
- 91.442 48.099 160.573 123.852
- 91.434 55.165 131.155 -47.426
- 92.103 92.808 138.171-129.280
- 93.585 -46.001 146.921-132.662
- 96.050 94.600 0.000 0.000
- 133.979 -56.072 0.000 0.000
- 118.720-135.668 121.063-126.223
- 126.135-156.727 122.015 -80.704
- 126.702 -79.888 117.680 -82.545
- 127.574 -23.794 0.000 0.000
- 125.880 -77.511 89.119 -63.882
- 117.360-108.639 117.048-122.260
- 117.854-137.894 122.245-127.455
- 93.077 60.042 102.873-104.791
- 93.330 0.000 114.055 -77.255
- # 101 total E -1.67662E+02 rmsd from N 0.000 %NC 0.00 0
- 93.682 89.655 147.172 11.300
- 91.871 77.529 140.019 -17.909
- 92.174 49.110 98.007 -88.195
- 91.421 43.135 142.490 -96.539
- 90.796 45.537 120.082-115.639
- 91.435 47.091 153.635 119.290
- 91.341 49.354 140.288 -52.707
- 92.142 78.424 137.718-134.967
- 93.146 24.476 144.783-134.283
- 122.370-149.102 0.000 0.000
- 94.997 80.558 0.000 0.000
- 93.344 94.598 97.108-102.655
- 124.898-100.782 121.101 -80.340
- 122.735 -97.336 120.602 -79.499
- 122.696-177.267 0.000 0.000
- 129.322 -91.351 101.665 -56.996
- 117.246-108.190 120.779-128.177
- 118.117-139.967 112.333-113.507
- 92.971 59.971 102.985-107.690
- 93.333 0.000 111.319 -79.722
- # 102 total E -1.76486E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 49.197 147.955 -26.919
- 91.895 78.283 129.724 -4.066
- 92.474 47.142 96.546 -89.239
- 91.798 43.895 147.382 -96.235
- 90.922 42.661 119.634-119.331
- 91.600 49.590 140.848 37.055
- 91.514 44.062 138.178-150.445
- 92.716 75.699 136.570-132.003
- 93.248 -77.192 139.661-122.963
- 94.733 168.036 0.000 0.000
- 139.047 -39.958 0.000 0.000
- 109.129 -31.249 94.023 -96.680
- 92.027 94.874 114.553 -76.270
- 91.927 -18.793 111.624 -79.368
- 110.250 -39.052 0.000 0.000
- 130.957 -66.721 144.595 -57.973
- 118.080-113.582 112.201-115.856
- 118.626-138.604 125.392-131.994
- 92.688 68.518 100.969 -99.719
- 93.321 0.000 106.250 -80.638
- # 103 total E -1.70852E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 50.562 111.777 -82.403
- 92.362 154.038 133.855 -1.469
- 93.677 87.241 100.150 -69.825
- 93.244 3.876 169.255-166.047
- 91.331 -91.204 105.844 -49.277
- 112.959 164.617 103.827 -59.690
- 91.962 83.589 157.496 135.978
- 93.004 54.688 131.224-133.561
- 93.877 101.681 143.094-156.112
- 130.581 -17.104 0.000 0.000
- 125.767 -68.266 0.000 0.000
- 111.310 -52.572 96.518 -84.852
- 89.789 76.542 114.377 -75.853
- 90.694 2.017 114.063 -76.768
- 102.350 -71.225 0.000 0.000
- 129.652 -45.605 122.926-143.842
- 119.877-118.682 108.662-110.401
- 118.609-133.648 122.811-128.594
- 93.062 60.725 131.824-155.531
- 93.330 0.000 114.388 -76.842
- # 104 total E -1.75847E+02 rmsd from N 0.000 %NC 0.00 0
- 93.695 88.502 144.862 9.286
- 91.758 73.749 129.709 3.253
- 92.062 48.577 89.097 -87.278
- 91.530 43.676 146.803 -96.707
- 90.857 42.815 121.343-121.690
- 91.611 48.283 123.673 23.487
- 91.204 42.264 136.135-143.371
- 92.417 67.339 136.597-131.848
- 92.973 -59.782 133.016-119.417
- 120.038-166.913 0.000 0.000
- 134.956 -53.624 0.000 0.000
- 92.068 62.309 101.431-103.905
- 92.669 38.056 113.947 -76.812
- 95.027-110.330 112.969 -76.247
- 95.633 154.836 0.000 0.000
- 128.270 -89.424 152.375 -10.012
- 117.746-110.228 116.394-121.333
- 118.339-138.838 116.881-119.701
- 93.044 58.811 105.335 -98.536
- 93.333 0.000 114.502 -77.371
- # 105 total E -1.70584E+02 rmsd from N 0.000 %NC 0.00 0
- 93.633 48.179 110.567 -81.679
- 92.001 81.768 137.188 -11.512
- 92.409 46.244 103.561 -84.744
- 92.016 41.992 169.962-141.364
- 90.972 42.358 127.790-102.028
- 91.565 44.611 138.224 93.489
- 91.026 47.805 133.702-110.968
- 91.245 55.420 146.920-139.628
- 93.012 30.558 143.102-127.642
- 95.249 56.413 0.000 0.000
- 94.449 50.134 0.000 0.000
- 92.280 59.031 96.045-101.286
- 92.584 33.897 111.698 -78.559
- 110.856-104.754 115.485 -78.978
- 95.348 157.888 0.000 0.000
- 129.496 -94.864 111.736 -50.481
- 117.641-106.644 120.791-127.632
- 118.145-138.091 114.477-116.366
- 93.116 57.078 101.660-105.166
- 93.339 0.000 114.938 -77.849
- # 106 total E -1.76100E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 47.271 110.353 -81.562
- 92.003 79.644 135.865 -18.762
- 92.665 45.496 102.277 -84.822
- 92.167 41.621 150.815 -97.882
- 91.217 43.154 120.410-108.573
- 91.906 47.405 148.316 96.078
- 91.559 49.977 138.512-121.565
- 92.594 70.756 140.318-132.508
- 93.166 -52.757 143.607-125.916
- 118.526-155.709 0.000 0.000
- 95.170 59.034 0.000 0.000
- 95.115 112.922 97.577 -99.417
- 92.113 -31.818 132.608 -36.947
- 88.478 -56.454 113.604 -76.720
- 93.153 22.617 0.000 0.000
- 123.996 -91.942 139.002 -11.466
- 117.536-107.284 126.186-136.993
- 118.056-132.786 113.459-115.100
- 117.275-116.326 134.960-147.595
- 121.750 0.000 121.602 -80.586
- # 107 total E -1.70876E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.329 110.322 -81.624
- 92.020 80.221 140.090 -15.076
- 92.443 46.413 106.156 -76.779
- 91.909 42.583 152.532-101.977
- 91.078 41.279 122.800-111.028
- 91.624 47.287 150.842 100.464
- 91.355 55.937 140.770-126.698
- 91.634 83.385 140.283-122.666
- 94.168 -43.705 146.390-142.358
- 96.636 86.554 0.000 0.000
- 95.095 52.102 0.000 0.000
- 92.676 62.843 133.261-158.702
- 92.832 59.740 112.178 -78.220
- 114.615 -90.411 116.588 -80.498
- 95.555 163.836 0.000 0.000
- 129.126 -95.183 102.759 -57.086
- 117.894-109.578 119.526-126.286
- 118.089-120.164 111.907-112.988
- 117.923-114.932 122.156-127.376
- 121.605 0.000 120.467 -80.368
- # 108 total E -1.74139E+02 rmsd from N 0.000 %NC 0.00 0
- 93.640 37.423 104.817 -79.561
- 92.657 158.652 142.607 -6.809
- 93.352 84.532 107.436 -69.947
- 92.930 8.470 169.676-152.203
- 90.828 -96.139 96.653 -54.399
- 106.306 165.964 141.851-126.274
- 91.998 76.251 144.600 -15.441
- 93.757 81.383 127.911-128.555
- 92.711 -94.555 135.183-143.501
- 94.289 24.771 0.000 0.000
- 127.599 -51.271 0.000 0.000
- 115.236-170.087 119.069-125.114
- 130.124-146.289 146.284 173.825
- 123.001 -71.565 119.231 -78.425
- 95.406 67.817 0.000 0.000
- 127.729 -85.821 118.154-128.972
- 118.044-109.545 113.965-118.961
- 117.513-136.092 134.119-145.436
- 93.144 59.086 100.814 -97.246
- 93.333 0.000 114.610 -77.324
- # 109 total E -1.78631E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 48.212 147.806 -27.587
- 91.965 80.388 134.542 -10.787
- 92.461 46.118 98.299 -87.694
- 91.845 43.663 150.414 -99.887
- 91.068 42.094 121.253-115.539
- 91.878 49.988 115.997 24.504
- 91.549 38.909 138.554-126.452
- 92.951 83.476 133.089-120.918
- 94.892 -47.561 142.171-129.728
- 95.893 104.133 0.000 0.000
- 124.095 -27.901 0.000 0.000
- 92.768 67.007 100.532 -99.460
- 92.590 23.741 112.989 -71.607
- 95.956-114.294 115.082 -75.495
- 95.016 152.154 0.000 0.000
- 130.833 -97.184 116.530 -51.065
- 117.700-106.144 120.092-127.174
- 118.071-138.102 111.672-113.101
- 93.058 59.579 102.800-110.739
- 93.331 0.000 114.189 -77.343
- # 110 total E -1.69458E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 43.357 110.034 -83.408
- 92.554 167.494 143.244 171.840
- 94.195 90.725 108.123 -68.296
- 92.221 0.869 170.474-165.328
- 90.725 -90.087 137.210-119.245
- 103.014-174.859 132.787 -16.958
- 128.450-156.993 147.633 166.439
- 113.210 -40.933 158.550-165.831
- 95.004 -72.737 150.299 -22.364
- 94.822 63.119 0.000 0.000
- 94.755 61.276 0.000 0.000
- 114.214 173.928 131.709-145.930
- 122.813-173.939 119.723 -80.032
- 131.574 -89.947 155.799 -27.281
- 124.744 -36.838 0.000 0.000
- 123.043 -88.983 121.859 80.894
- 117.769-108.036 135.366-148.721
- 118.038-136.662 114.575-116.166
- 93.096 59.039 101.360-104.009
- 93.328 0.000 114.250 -77.359
- # 111 total E -1.75627E+02 rmsd from N 0.000 %NC 0.00 0
- 93.663 123.407 109.313 -80.225
- 122.078-108.568 155.716 -22.574
- 92.597 48.106 122.075 -40.892
- 91.566 50.962 164.255 110.128
- 90.728 42.785 114.171 -67.173
- 91.451 47.186 121.982-122.500
- 91.295 61.052 146.841-127.258
- 91.914 85.580 130.578-109.945
- 94.327 -39.645 136.095-126.558
- 96.049 96.127 0.000 0.000
- 128.487 -22.019 0.000 0.000
- 93.073 61.461 95.763 -88.497
- 92.638 47.809 114.695 -72.215
- 93.197 50.399 112.966 -77.639
- 94.642 66.095 0.000 0.000
- 119.563 -77.405 128.768-110.808
- 117.981-107.845 117.132-123.815
- 117.960-137.618 116.057-118.782
- 93.085 59.345 101.794-104.044
- 93.332 0.000 114.434 -77.250
- # 112 total E -1.76686E+02 rmsd from N 0.000 %NC 0.00 0
- 93.661 50.222 147.629 -25.962
- 91.993 76.300 134.321 -23.678
- 92.650 44.491 98.803 -82.701
- 92.087 42.777 148.156 -96.644
- 91.046 42.374 118.685-109.756
- 91.675 47.785 160.371 36.976
- 91.355 44.096 136.117-144.763
- 92.442 68.226 138.073-131.842
- 92.913 -36.784 135.210-108.738
- 121.536-119.684 0.000 0.000
- 94.558 74.460 0.000 0.000
- 93.010 129.401 93.766 -96.302
- 93.660 66.300 112.459 -79.475
- 94.083 39.038 114.858 -77.114
- 95.603 66.571 0.000 0.000
- 124.953 -86.978 122.424 -85.980
- 117.847-108.088 120.359-128.274
- 117.818-139.536 113.701-115.801
- 93.021 53.406 101.916-102.746
- 93.350 0.000 114.623 -79.927
- # 113 total E -1.76708E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.079 110.175 -81.490
- 92.002 79.306 140.579 -22.578
- 92.539 46.899 101.826 -82.687
- 91.809 43.377 151.069 -98.813
- 90.873 43.158 115.703 -33.193
- 91.676 46.286 155.137 120.993
- 91.544 59.232 136.166 -60.787
- 92.298 92.218 137.730-115.611
- 93.815 23.453 142.648-109.108
- 142.492-104.483 0.000 0.000
- 133.802 -32.499 0.000 0.000
- 108.676 -30.842 95.326 -87.571
- 91.771 94.786 114.648 -76.156
- 91.870 -17.696 109.939 -78.265
- 108.943 -39.142 0.000 0.000
- 130.865 -68.008 114.810-125.193
- 118.538-112.921 112.622-116.616
- 117.775-137.745 124.802-132.469
- 93.041 60.063 134.113-157.062
- 93.330 0.000 114.539 -76.794
- # 114 total E -1.77315E+02 rmsd from N 0.000 %NC 0.00 0
- 93.641 37.088 104.864 -79.668
- 92.632 158.466 141.361 -7.061
- 93.361 85.838 114.146 -86.299
- 93.088 6.738 172.146 171.133
- 91.157 -93.547 98.987 -56.438
- 108.543 166.598 152.065-118.319
- 91.974 75.912 144.640 -12.825
- 93.796 82.845 134.534-126.339
- 92.340 -93.013 139.154-124.033
- 94.074 22.600 0.000 0.000
- 127.219 -51.528 0.000 0.000
- 115.505-167.922 122.403-129.981
- 127.694-179.506 136.919 27.040
- 94.096 88.573 115.976 -76.215
- 96.012 85.075 0.000 0.000
- 124.601-104.925 107.178 -47.782
- 118.304-106.590 121.464-128.306
- 117.828-142.096 113.614-115.636
- 93.046 54.918 103.033-104.262
- 93.341 0.000 114.385 -79.120
- # 115 total E -1.78895E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 49.806 148.042 -26.700
- 91.897 78.551 130.404 -4.504
- 92.439 47.466 97.946 -88.505
- 91.660 43.831 145.039 -94.985
- 90.869 43.679 120.036-119.638
- 91.586 46.274 144.253 44.952
- 91.306 50.428 134.216 -41.916
- 92.291 68.016 142.977-136.380
- 94.534 85.169 136.955-119.455
- 135.026 -82.396 0.000 0.000
- 127.917 -57.762 0.000 0.000
- 112.720 -48.528 95.012 -83.974
- 90.917 85.314 114.635 -75.923
- 91.433 -7.523 113.159 -78.022
- 106.627 -50.476 0.000 0.000
- 133.756 -59.855 111.822-122.865
- 119.642-113.422 110.947-115.738
- 117.990-140.589 124.322-130.813
- 92.962 59.690 131.858-155.409
- 93.331 0.000 114.531 -76.823
- # 116 total E -1.83487E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.006 110.416 -81.569
- 92.000 82.421 140.807 -12.266
- 92.475 46.887 102.740 -84.171
- 91.797 40.886 150.641-101.593
- 91.096 45.552 123.033-111.409
- 91.874 44.344 142.519 89.955
- 91.561 48.772 133.521-115.191
- 92.257 63.437 140.345-131.786
- 93.212 150.205 137.674-130.763
- 94.636 118.017 0.000 0.000
- 130.663 -57.935 0.000 0.000
- 128.529 106.706 114.543-111.499
- 92.507 -31.912 115.684 -80.112
- 90.567 -48.218 114.631 -76.072
- 93.687 68.842 0.000 0.000
- 128.465-115.500 159.079 83.602
- 117.717-107.031 122.340-133.600
- 117.840-139.089 120.839-123.876
- 93.094 60.060 136.618-162.169
- 93.329 0.000 114.536 -76.723
- # 117 total E -1.70228E+02 rmsd from N 0.000 %NC 0.00 0
- 93.663 48.613 147.090 -26.689
- 92.560 80.468 139.547 -34.158
- 94.243 117.782 95.442 -93.809
- 122.549 101.568 134.151-117.302
- 91.719 31.969 142.554-161.320
- 115.785-165.724 143.959 15.554
- 123.720-159.074 146.681-170.294
- 113.716 -44.925 147.158 160.676
- 94.739 -70.851 148.271 -25.601
- 94.825 62.006 0.000 0.000
- 94.756 62.831 0.000 0.000
- 115.870 175.067 131.302-143.848
- 126.545-158.908 158.762 -49.870
- 128.228 -21.170 151.977 -45.919
- 136.803 -24.901 0.000 0.000
- 126.583 -64.788 141.051 129.574
- 117.904-112.682 115.285-121.071
- 117.396-135.641 132.763-142.828
- 93.095 59.251 101.043 -98.008
- 93.329 0.000 114.588 -77.332
- # 118 total E -1.81728E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.705 110.310 -81.500
- 92.002 78.536 137.072 -20.019
- 92.594 46.003 97.975 -79.705
- 92.097 42.006 148.209-102.268
- 90.925 43.920 120.890-105.973
- 91.637 45.120 153.179 -11.249
- 91.265 54.030 137.088-127.807
- 91.943 49.961 116.279 -98.517
- 93.554-118.142 104.528 -83.397
- 94.667 151.931 0.000 0.000
- 137.152 -62.199 0.000 0.000
- 92.751 66.525 132.927-157.608
- 92.565 60.410 117.440 -76.173
- 93.035 44.861 125.787-127.959
- 94.387 60.366 0.000 0.000
- 114.537 -66.464 120.556-114.883
- 117.661-106.482 117.404-124.361
- 118.142-137.465 115.718-118.304
- 93.122 58.051 97.589-101.621
- 93.336 0.000 114.471 -77.872
- # 119 total E -1.75086E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.211 147.932 -27.489
- 91.915 77.623 129.418 -8.879
- 92.502 47.840 97.696 -88.567
- 91.814 42.213 152.004 -97.405
- 90.932 44.882 119.672-113.152
- 91.764 48.769 118.411 59.090
- 91.310 48.508 136.419-122.293
- 92.311 53.956 137.846-134.740
- 93.592 174.265 142.815-129.227
- 121.957 164.790 0.000 0.000
- 133.027 -67.749 0.000 0.000
- 112.360 -48.119 94.794 -85.630
- 91.257 83.765 114.653 -75.992
- 91.802 -6.092 112.150 -77.717
- 111.089 -39.766 0.000 0.000
- 133.136 -73.977 136.568-153.972
- 118.846-111.765 112.881-116.778
- 117.665-137.237 132.393-142.336
- 93.079 58.841 101.420 -99.124
- 93.334 0.000 114.646 -77.341
- # 120 total E -1.68190E+02 rmsd from N 0.000 %NC 0.00 0
- 93.638 35.358 104.845 -80.059
- 92.405 155.558 132.290 -4.024
- 93.637 87.166 98.686 -73.518
- 93.250 3.742 169.493-162.451
- 91.449 -90.675 107.730 -51.384
- 113.660 168.300 135.272 -54.285
- 92.144 80.879 147.915 -15.981
- 92.771 92.862 101.212-109.523
- 93.285 -71.998 98.809 -78.546
- 94.680 162.953 0.000 0.000
- 135.689 -57.674 0.000 0.000
- 92.518 61.374 100.503-104.839
- 92.752 51.288 114.311 -75.034
- 93.313 51.859 112.807 -78.288
- 94.763 66.614 0.000 0.000
- 119.957 -78.507 126.002-118.420
- 117.990-107.926 117.296-123.996
- 117.980-137.370 116.036-118.734
- 93.093 59.399 101.684-103.920
- 93.333 0.000 114.424 -77.252
- # 121 total E -1.72475E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 35.002 104.584 -79.984
- 92.499 156.587 132.261 -11.696
- 93.558 84.146 99.788 -73.383
- 92.970 6.969 168.369-158.674
- 90.856 -95.370 122.822 -46.232
- 110.710 168.028 144.992 -34.682
- 92.046 79.095 144.554 -12.815
- 93.772 79.892 111.732-110.451
- 92.783 -95.189 99.410 -81.288
- 93.983 25.285 0.000 0.000
- 126.858 -50.447 0.000 0.000
- 116.909-165.639 123.569-130.511
- 127.328-163.526 136.010 1.457
- 94.254 22.122 115.978 -76.154
- 129.158-137.304 0.000 0.000
- 129.351 -82.484 136.559-153.334
- 117.966-108.481 118.827-126.605
- 118.077-137.023 115.512-117.782
- 93.097 59.498 101.614-103.700
- 93.331 0.000 114.403 -77.243
- # 122 total E -1.77495E+02 rmsd from N 0.000 %NC 0.00 0
- 93.672 51.113 145.338 -24.167
- 92.688 125.127 147.767 -29.761
- 130.613 -92.928 98.426 -94.018
- 92.862 48.674 145.160 -97.774
- 91.120 43.677 119.309 -79.311
- 91.880 48.858 119.439 -26.961
- 91.410 46.983 143.167-100.887
- 92.578 64.744 137.727-131.561
- 93.572-107.318 109.414 -80.509
- 94.793 155.142 0.000 0.000
- 136.242 -62.462 0.000 0.000
- 92.578 62.192 105.590-111.205
- 92.548 57.907 120.703 -79.325
- 92.998 44.888 113.482 -80.179
- 94.253 58.985 0.000 0.000
- 113.543 -64.800 121.322-109.906
- 117.638-106.150 117.372-124.400
- 118.309-137.721 115.113-117.365
- 93.074 59.096 100.427-106.211
- 93.332 0.000 114.378 -77.417
- # 123 total E -1.71990E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 48.774 147.959 -27.266
- 91.934 79.320 131.583 -8.562
- 92.449 48.174 100.230 -88.823
- 91.689 43.260 151.075 -98.795
- 90.924 44.872 120.327-115.446
- 91.771 47.179 118.085 49.357
- 91.292 47.897 133.550-130.481
- 91.963 59.634 138.777-133.969
- 92.758 111.884 141.176-119.556
- 94.740 91.205 0.000 0.000
- 94.817 92.161 0.000 0.000
- 130.683 65.250 104.854 -99.206
- 92.798 -44.255 123.242-114.716
- 92.227 -36.087 115.316 -76.179
- 95.107 81.692 0.000 0.000
- 131.190 -93.409 120.146 -51.643
- 119.598-107.244 120.891-126.374
- 117.902-136.123 113.575-117.380
- 93.186 60.804 129.538-152.929
- 93.328 0.000 114.238 -76.798
- # 124 total E -1.77439E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.311 110.282 -81.334
- 92.005 79.847 133.142 -22.797
- 92.824 48.147 90.084 -81.600
- 92.451 41.139 147.328-100.938
- 91.035 52.253 122.554 -61.232
- 92.366 53.325 152.402 -14.189
- 92.553 115.009 127.348-154.665
- 90.512 -25.933 142.146-144.072
- 89.753 -58.867 143.447-117.621
- 93.439 13.670 0.000 0.000
- 111.873 -56.454 0.000 0.000
- 93.459 -29.060 133.159-159.848
- 94.019 99.231 115.442 -76.438
- 129.912-119.913 120.175 -80.673
- 95.241 151.098 0.000 0.000
- 128.745 -80.176 134.462 -68.136
- 118.049-106.438 119.929-127.490
- 118.359-136.795 113.337-115.261
- 93.124 58.347 99.836-102.320
- 93.338 0.000 114.281 -77.961
- # 125 total E -1.74133E+02 rmsd from N 0.000 %NC 0.00 0
- 93.667 121.928 147.098 -34.493
- 119.898-115.487 146.110 -29.246
- 92.561 54.533 143.094 -98.759
- 91.622 50.450 144.318-100.146
- 91.096 41.148 108.477 -71.125
- 91.840 48.649 110.164-111.178
- 91.404 44.532 136.959-136.815
- 92.133 83.040 138.956-135.002
- 94.686 -43.467 150.126-137.375
- 96.950 84.885 0.000 0.000
- 95.110 45.061 0.000 0.000
- 92.360 54.691 131.286-156.096
- 91.875 52.227 111.891 -77.274
- 92.808 51.789 111.722 -78.626
- 94.716 66.464 0.000 0.000
- 119.546 -78.787 126.312-122.702
- 117.996-107.893 117.308-123.970
- 117.993-137.468 116.084-118.797
- 93.090 59.457 101.665-103.740
- 93.332 0.000 114.429 -77.252
- # 126 total E -1.70708E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 44.116 110.273 -82.068
- 92.024 72.690 145.532-136.596
- 92.197 56.238 122.129 -33.589
- 91.573 45.612 151.179-101.266
- 90.701 45.109 110.923 -69.968
- 91.486 50.432 124.245-126.644
- 91.269 56.668 136.064 -67.675
- 91.850 71.856 136.545-128.923
- 93.357 42.493 105.512 -82.385
- 129.083 -32.889 0.000 0.000
- 126.311 -58.974 0.000 0.000
- 117.003 -83.221 120.307-125.664
- 92.928 74.002 116.033 -76.347
- 94.336 43.719 113.709 -77.235
- 95.624 72.302 0.000 0.000
- 125.899 -84.592 133.030-139.875
- 117.702-107.854 112.752-118.242
- 118.194-133.746 113.115-115.015
- 117.313-116.135 133.658-145.630
- 121.704 0.000 121.519 -80.388
- # 127 total E -1.73890E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.881 147.969 -27.206
- 91.917 77.716 131.635 -7.449
- 92.518 46.052 100.141 -86.561
- 91.792 42.302 150.439 -98.659
- 90.985 43.714 121.026-113.740
- 91.788 46.017 128.412 85.739
- 91.280 43.520 133.966-130.135
- 91.679 61.257 138.395-133.582
- 93.005 43.424 142.025-147.888
- 95.464 67.435 0.000 0.000
- 131.257 -63.042 0.000 0.000
- 93.020 71.658 101.279-101.325
- 93.628 -1.554 114.260 -76.200
- 126.016-148.378 121.096 -77.943
- 94.801 138.600 0.000 0.000
- 129.745 -88.162 130.166 -77.650
- 118.303-108.561 119.869-127.281
- 118.090-117.262 112.959-114.761
- 117.867-116.213 116.690-119.988
- 121.733 0.000 121.486 -80.610
- # 128 total E -1.75218E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.790 147.938 -27.190
- 91.901 77.959 129.615 -3.115
- 92.440 48.012 97.080 -89.534
- 91.753 43.339 150.119 -99.005
- 90.920 44.080 119.860-118.159
- 91.741 46.271 129.264 34.544
- 91.333 45.808 134.147-132.305
- 92.385 63.333 139.295-133.175
- 93.097 -77.998 134.887-110.587
- 123.403 -79.140 0.000 0.000
- 132.074 -50.706 0.000 0.000
- 92.626 64.351 100.775-103.066
- 93.175 54.352 113.512 -76.733
- 93.337 50.542 118.216 -78.058
- 94.788 66.608 0.000 0.000
- 120.113 -77.847 126.341-117.296
- 117.959-107.979 117.250-123.955
- 117.974-137.506 116.103-118.824
- 93.087 59.364 101.698-103.816
- 93.332 0.000 114.433 -77.251
- # 129 total E -1.73225E+02 rmsd from N 0.000 %NC 0.00 0
- 93.663 122.905 109.122 -80.600
- 122.417-107.858 155.973 -21.879
- 92.486 51.319 121.008 -38.469
- 91.627 47.920 167.778-127.883
- 90.809 45.285 111.948 -70.325
- 91.706 48.495 124.092-124.091
- 91.730 54.387 139.683 -82.013
- 92.546 99.537 141.585-134.336
- 127.868 -5.075 155.738-146.604
- 131.189 -28.654 0.000 0.000
- 127.344 -61.456 0.000 0.000
- 100.968 -29.662 131.197-152.103
- 91.243 96.563 115.230 -76.117
- 91.222 -16.759 112.956 -76.938
- 99.682 -66.715 0.000 0.000
- 126.175 -47.247 115.890-121.405
- 118.264-110.719 112.472-118.188
- 118.270-139.425 120.166-125.292
- 92.989 60.106 129.659-152.180
- 93.330 0.000 114.408 -76.838
- # 130 total E -1.70093E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.007 110.416 -81.569
- 92.003 81.408 136.687 -12.345
- 92.436 47.520 102.023 -85.783
- 91.840 41.687 149.700-100.760
- 91.094 44.541 122.366-112.076
- 91.854 45.310 138.280 95.154
- 91.372 54.346 135.152-121.084
- 91.732 65.590 141.622-130.849
- 92.729 77.797 144.645-135.888
- 95.102 74.934 0.000 0.000
- 127.450 -94.965 0.000 0.000
- 124.925 17.733 108.559-106.059
- 92.212 -52.601 115.082 -80.739
- 91.430 -5.631 115.155 -76.106
- 122.322 -21.887 0.000 0.000
- 120.475 -71.959 135.897 144.233
- 117.763-109.639 114.483-119.847
- 117.800-136.694 122.787-128.850
- 93.117 59.083 101.290 -99.980
- 93.332 0.000 114.605 -77.287
- # 131 total E -1.73499E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 47.291 148.078 -28.396
- 91.993 80.930 135.605 -10.065
- 92.418 46.522 97.710 -76.630
- 92.317 41.836 164.804-123.118
- 91.157 43.071 124.674-106.663
- 91.892 45.618 142.071 23.260
- 91.629 47.608 133.371-115.192
- 92.628 71.337 142.914-130.179
- 93.178 -98.626 134.264-115.410
- 94.605 157.390 0.000 0.000
- 137.212 -59.901 0.000 0.000
- 93.534 78.151 100.400-106.854
- 131.387-106.567 122.028 -82.174
- 127.118 -77.195 121.853 -80.116
- 95.133 168.020 0.000 0.000
- 130.788 -88.553 91.033 -63.070
- 117.579-106.218 120.344-127.674
- 118.005-137.075 111.653-113.166
- 93.151 57.661 101.632-109.947
- 93.336 0.000 115.396 -77.255
- # 132 total E -1.75053E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.876 110.467 -81.672
- 91.997 79.950 136.498 -14.186
- 92.533 46.162 101.203 -77.981
- 92.102 42.281 151.034 -96.897
- 91.098 41.748 122.310-108.874
- 91.722 49.693 125.930 -24.308
- 91.423 41.659 142.056-115.512
- 92.139 81.938 136.440-137.812
- 94.640 -43.686 143.370-129.438
- 96.870 86.607 0.000 0.000
- 95.077 45.778 0.000 0.000
- 92.926 59.674 132.987-157.537
- 93.047 38.486 111.977 -77.709
- 114.645-104.436 116.274 -79.677
- 95.408 160.158 0.000 0.000
- 129.031 -99.493 108.351 -50.987
- 117.925-107.506 120.856-127.633
- 118.212-137.864 114.001-115.892
- 93.059 52.084 98.970 -99.595
- 93.356 0.000 115.539 -80.126
- # 133 total E -1.69254E+02 rmsd from N 0.000 %NC 0.00 0
- 93.695 124.299 146.979 -21.480
- 118.478-116.884 145.380 -31.181
- 92.612 51.741 141.605 -91.854
- 91.647 48.221 145.082 -96.247
- 91.184 39.762 96.426 -55.839
- 91.803 50.492 103.289 -65.189
- 91.424 39.948 146.413-103.186
- 92.141 81.075 136.397-140.946
- 94.731 -43.046 148.673 -37.965
- 96.927 86.816 0.000 0.000
- 95.025 47.302 0.000 0.000
- 92.755 57.879 134.889-160.069
- 92.954 44.835 111.815 -77.725
- 115.289-101.968 115.916 -80.144
- 95.571 161.895 0.000 0.000
- 128.589 -98.057 122.661 -49.296
- 118.359-108.346 118.454-124.771
- 118.061-137.168 113.118-114.766
- 93.141 59.798 127.091-149.122
- 93.332 0.000 113.829 -77.623
- # 134 total E -1.74914E+02 rmsd from N 0.000 %NC 0.00 0
- 93.671 95.514 148.032 -13.510
- 92.617 125.720 142.318 -39.742
- 130.907 -92.319 94.855 -97.348
- 92.798 48.512 147.348-103.105
- 91.120 45.954 113.784 -36.859
- 91.981 46.392 138.114 102.245
- 91.190 52.559 136.060-109.828
- 91.973 58.963 140.329-135.139
- 93.213 133.102 147.398-126.942
- 130.293 -49.227 0.000 0.000
- 126.585 -56.036 0.000 0.000
- 106.300 -32.648 95.920 -88.904
- 91.219 95.716 114.537 -76.109
- 91.421 -17.143 110.287 -78.646
- 104.197 -52.520 0.000 0.000
- 130.209 -52.929 121.466 -66.054
- 119.927-113.963 113.446-115.115
- 118.463-138.585 120.619-126.699
- 93.001 59.105 106.402-111.227
- 93.333 0.000 114.429 -77.298
- # 135 total E -1.69992E+02 rmsd from N 0.000 %NC 0.00 0
- 93.689 94.118 143.474 -14.778
- 92.670 122.783 142.664 -41.863
- 130.213 -97.435 97.313-100.589
- 92.949 48.642 149.563-102.451
- 91.250 45.265 107.419 -43.881
- 92.146 47.660 134.241 96.234
- 91.282 42.384 134.692-113.124
- 91.872 61.811 136.047-135.413
- 93.313 40.985 144.475-144.530
- 95.621 68.111 0.000 0.000
- 130.739 -63.711 0.000 0.000
- 92.981 71.732 101.314-101.503
- 93.770 -4.665 114.506 -76.153
- 129.292-149.576 122.184 -78.760
- 94.759 143.088 0.000 0.000
- 130.573 -87.265 128.117 -69.731
- 118.641-106.556 113.674-118.414
- 117.578-136.674 116.660-120.683
- 93.090 58.483 102.220-105.271
- 93.337 0.000 114.451 -77.739
- # 136 total E -1.68756E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.884 110.713 -81.632
- 91.933 79.997 131.495 -10.516
- 92.509 46.469 89.549 -86.390
- 91.970 44.103 147.312 -96.748
- 90.989 42.753 121.697-115.751
- 91.738 48.590 133.895 -16.318
- 91.617 44.227 139.447-138.732
- 92.815 86.262 136.110-126.134
- 93.371 -90.065 106.462 -78.415
- 94.910 97.167 0.000 0.000
- 95.008 72.166 0.000 0.000
- 112.034 -35.141 92.060 -93.107
- 92.081 81.099 114.379 -76.264
- 92.077 -6.352 125.443-116.808
- 113.281 -42.583 0.000 0.000
- 133.731 -73.808 143.406-172.424
- 117.768-113.097 113.142-117.801
- 117.809-113.182 135.085-147.433
- 117.916-116.186 114.877-117.131
- 121.746 0.000 121.461 -80.596
- # 137 total E -1.69335E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 93.034 150.091 -16.534
- 92.619 127.932 134.607 -35.212
- 130.625 -92.966 94.489 -98.310
- 92.735 49.986 146.602-105.559
- 91.064 45.297 113.024 -37.959
- 91.758 50.043 148.303 108.751
- 91.324 57.538 145.980-105.189
- 91.939 75.675 138.367-134.259
- 93.340 32.659 145.839-133.370
- 127.579 -28.203 0.000 0.000
- 126.457 -60.485 0.000 0.000
- 116.923 -83.566 120.074-125.356
- 92.901 72.932 115.916 -76.388
- 94.321 44.906 113.693 -77.202
- 95.654 70.873 0.000 0.000
- 125.071 -89.304 131.718-138.595
- 117.633-107.652 117.931-125.815
- 118.512-138.224 115.597-117.450
- 93.111 60.379 134.473-157.823
- 93.329 0.000 114.355 -76.774
- # 138 total E -1.69128E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 46.417 109.804 -81.515
- 92.015 88.114 145.181 -16.844
- 92.539 46.584 109.099 -67.973
- 92.022 45.007 148.844 -91.367
- 91.092 44.274 122.784-121.410
- 91.770 46.554 118.508 -56.105
- 91.668 47.934 138.973-123.078
- 92.706 80.122 140.912-134.461
- 93.313 12.570 148.315-120.094
- 130.224 -75.442 0.000 0.000
- 120.963 -22.659 0.000 0.000
- 116.325-137.436 124.651-132.511
- 129.740-145.714 156.058 -76.558
- 122.156 -52.067 120.818 -79.543
- 95.238 169.345 0.000 0.000
- 128.735 -82.308 130.302 -80.486
- 117.920-109.905 113.471-118.983
- 118.565-138.178 114.557-116.707
- 93.035 58.828 98.724-106.485
- 93.334 0.000 114.431 -77.494
- # 139 total E -1.73174E+02 rmsd from N 0.000 %NC 0.00 0
- 93.682 91.309 146.343 14.557
- 91.767 77.918 129.908 1.472
- 92.148 49.936 94.758 -83.924
- 91.727 43.204 146.301 -98.871
- 90.889 43.643 121.659-121.628
- 91.528 46.995 138.830 22.461
- 91.443 49.473 135.721-150.551
- 92.353 72.414 139.081-129.579
- 92.887 -99.858 134.929-117.362
- 94.724 124.752 0.000 0.000
- 135.277 -57.969 0.000 0.000
- 117.622-140.186 120.491-126.641
- 126.980-163.461 122.451 -81.042
- 127.755 -93.283 119.279 -81.452
- 95.157 161.878 0.000 0.000
- 130.820 -95.204 110.854 -85.947
- 118.097-107.986 112.600-117.642
- 117.700-136.726 115.640-118.666
- 93.212 59.831 130.336-153.823
- 93.332 0.000 114.439 -77.062
- # 140 total E -1.70994E+02 rmsd from N 0.000 %NC 0.00 0
- 93.665 89.669 148.726 -16.518
- 92.627 130.768 149.478 -27.184
- 130.217 -90.326 94.316-101.386
- 92.920 47.452 150.637-100.821
- 91.163 40.795 109.487 -42.435
- 91.963 50.749 153.150 113.716
- 91.496 54.510 144.592 -85.054
- 92.085 75.955 138.009-121.866
- 93.563 21.480 143.871-129.876
- 140.878-122.118 0.000 0.000
- 134.036 -28.028 0.000 0.000
- 109.603 -29.854 94.988 -86.902
- 91.901 93.996 114.694 -76.164
- 91.945 -16.671 109.808 -78.096
- 109.965 -38.439 0.000 0.000
- 131.466 -68.796 137.540 -99.505
- 118.504-112.721 105.834-108.854
- 117.448-142.026 127.338-136.992
- 93.025 58.445 109.104-103.923
- 93.333 0.000 114.518 -77.304
- # 141 total E -1.69716E+02 rmsd from N 0.000 %NC 0.00 0
- 93.647 88.490 151.776 -21.639
- 92.577 128.984 142.854 -36.307
- 131.178 -91.322 92.543-101.122
- 92.814 50.984 146.837-101.650
- 91.122 46.027 110.066 -38.716
- 92.184 46.987 156.501 103.796
- 91.681 60.586 137.658-109.147
- 92.979 93.211 139.437-125.381
- 92.661 -99.977 144.066-143.164
- 95.267 31.175 0.000 0.000
- 136.480 -68.677 0.000 0.000
- 116.116 -82.045 118.433-123.742
- 92.739 73.728 120.602 -77.575
- 94.208 43.596 113.493 -77.287
- 95.434 70.583 0.000 0.000
- 122.982 -77.530 128.547-124.394
- 117.393-105.293 115.832-122.871
- 117.591-137.597 113.183-114.787
- 93.202 60.500 126.661-149.638
- 93.328 0.000 114.247 -76.856
- # 142 total E -1.67942E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 48.409 148.118 -27.523
- 91.913 78.239 131.380 -3.594
- 92.379 47.631 94.406 -80.971
- 91.968 42.975 151.319-100.535
- 91.049 42.821 121.445-117.096
- 91.948 45.654 139.816 22.289
- 91.631 47.601 134.431-125.529
- 92.628 72.792 141.656-132.208
- 93.141 -97.649 134.699-116.361
- 94.673 157.663 0.000 0.000
- 136.774 -61.535 0.000 0.000
- 93.500 76.443 100.437-107.337
- 131.623-102.775 122.117 -81.827
- 126.301 -76.038 121.633 -80.000
- 95.171 167.734 0.000 0.000
- 130.580 -90.459 92.514 -62.630
- 117.583-107.986 120.445-127.936
- 117.968-118.824 110.627-111.494
- 117.744-110.521 121.758-128.686
- 94.582 0.000 116.124 -77.173
- # 143 total E -1.72509E+02 rmsd from N 0.000 %NC 0.00 0
- 93.640 39.920 105.908 -79.431
- 92.552 156.389 136.880 -6.915
- 93.445 85.103 106.192 -72.760
- 92.998 8.745 168.374-149.960
- 90.940 -97.307 99.294 -44.666
- 104.059 177.332 137.306-137.175
- 92.371 46.178 139.150 -16.934
- 94.214 98.218 135.877-115.885
- 91.727 -38.663 141.722 178.025
- 94.414 -56.543 0.000 0.000
- 93.932 27.450 0.000 0.000
- 125.978 172.615 114.405-112.940
- 132.968-166.230 141.807 170.886
- 122.410 179.598 121.491 -78.854
- 95.225 83.487 0.000 0.000
- 127.292 -84.115 117.894 -54.702
- 117.904-107.696 118.383-124.509
- 117.928-136.969 114.983-117.100
- 93.185 60.558 129.824-153.378
- 93.329 0.000 114.338 -76.794
- # 144 total E -1.72903E+02 rmsd from N 0.000 %NC 0.00 0
- 93.668 124.315 109.979 -79.512
- 120.469-109.588 144.799 -25.837
- 92.338 61.030 140.434 -94.458
- 91.548 45.549 144.518-102.203
- 90.933 46.628 106.038 -81.053
- 91.955 46.993 117.902-122.697
- 91.509 62.033 136.583-119.024
- 91.755 99.777 136.425-116.835
- 93.465 -47.580 140.362-124.087
- 95.945 83.175 0.000 0.000
- 133.658 -83.559 0.000 0.000
- 129.820 141.220 116.227-112.888
- 93.753 78.371 119.126 -76.731
- 94.458 41.803 115.065 -77.035
- 95.479 66.423 0.000 0.000
- 122.387 -85.292 96.358 -63.243
- 117.031-107.695 119.069-126.245
- 117.641-143.726 113.379-115.324
- 92.996 58.366 101.094-104.254
- 93.337 0.000 111.535 -79.990
- # 145 total E -1.73105E+02 rmsd from N 0.000 %NC 0.00 0
- 93.629 47.553 110.466 -81.551
- 92.002 84.671 142.486 -7.093
- 92.268 47.641 103.318 -84.581
- 91.637 41.831 149.582 -99.901
- 90.880 44.866 130.934-106.945
- 91.494 48.042 122.630 113.803
- 90.973 57.764 140.844-113.681
- 91.678 87.635 123.460-109.054
- 94.635 -38.292 153.170 -13.911
- 96.099 100.258 0.000 0.000
- 127.050 -30.873 0.000 0.000
- 93.619 65.896 97.128-100.878
- 131.268 -74.378 128.283 -76.741
- 126.196 -72.428 121.543 -80.063
- 95.457 164.396 0.000 0.000
- 128.658 -87.750 92.863 -60.406
- 117.559-107.359 120.946-128.103
- 118.432-141.024 113.171-114.551
- 92.891 61.187 102.077 -99.781
- 93.332 0.000 110.199 -80.137
- # 146 total E -1.67923E+02 rmsd from N 0.000 %NC 0.00 0
- 93.652 48.082 148.004 -27.733
- 91.897 78.311 130.309 -1.460
- 92.391 48.578 98.690 -88.940
- 91.705 42.952 150.199 -98.311
- 90.966 44.475 122.908-117.108
- 91.846 44.308 126.392 81.467
- 91.383 49.817 131.500-131.180
- 92.233 53.784 143.091-135.609
- 93.161 89.958 150.653 -8.811
- 128.923 11.754 0.000 0.000
- 134.156 -60.244 0.000 0.000
- 121.728 -75.462 109.974-108.972
- 91.938 99.028 115.317 -76.671
- 93.874 -34.809 113.671 -79.072
- 96.800 52.502 0.000 0.000
- 141.850-118.419 176.440-165.071
- 119.854-107.351 113.256-117.473
- 119.123-140.250 122.057-126.505
- 92.872 59.302 112.323-120.903
- 93.331 0.000 114.372 -77.160
- # 147 total E -1.75442E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 44.412 110.270 -82.075
- 92.023 72.843 145.611-136.868
- 92.185 56.703 121.998 -33.368
- 91.597 45.378 150.153-100.619
- 90.719 45.018 110.774 -70.591
- 91.503 50.413 124.100-126.653
- 91.281 56.401 135.914 -65.434
- 91.870 70.716 136.567-129.299
- 93.370 44.735 105.681 -82.031
- 129.676 -35.658 0.000 0.000
- 126.460 -58.235 0.000 0.000
- 116.983 -82.793 120.280-125.628
- 92.927 74.024 115.940 -76.355
- 94.338 42.877 113.712 -77.238
- 95.621 73.124 0.000 0.000
- 126.236 -83.009 134.437-139.830
- 117.688-106.859 114.090-120.054
- 118.282-138.642 115.339-117.747
- 93.142 60.228 132.059-156.555
- 93.329 0.000 114.378 -76.773
- # 148 total E -1.78561E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 49.090 147.981 -27.247
- 91.909 76.918 130.875 -5.894
- 92.492 46.452 99.998 -87.207
- 91.771 42.409 150.314 -98.812
- 90.987 43.682 121.211-113.985
- 91.806 45.733 128.930 84.464
- 91.304 44.095 133.701-130.427
- 91.683 61.484 138.886-133.936
- 92.995 43.211 142.418-145.770
- 95.497 67.521 0.000 0.000
- 131.529 -63.373 0.000 0.000
- 93.025 71.745 101.268-101.296
- 93.599 -0.555 114.299 -76.187
- 125.542-147.482 120.776 -77.954
- 94.769 138.148 0.000 0.000
- 129.837 -87.016 129.785 -74.912
- 118.240-106.662 118.824-125.789
- 118.107-137.521 115.051-117.700
- 93.096 59.051 100.655-101.754
- 93.333 0.000 114.393 -77.457
- # 149 total E -1.76065E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 77.908 148.601 -26.382
- 92.667 121.450 145.338 -43.054
- 131.050 -95.118 93.924-103.442
- 92.848 48.849 147.587 -98.206
- 91.116 44.641 107.009 -67.024
- 91.825 54.355 142.622 46.157
- 91.345 43.756 143.693-126.284
- 92.825 70.035 132.717-135.741
- 93.207 -85.397 141.771-118.986
- 94.447 158.589 0.000 0.000
- 137.202 -38.449 0.000 0.000
- 91.759 60.999 95.062 -99.932
- 92.279 33.631 112.913 -78.796
- 95.436-109.907 112.801 -76.464
- 95.739 156.946 0.000 0.000
- 130.373 -86.645 132.379 -45.359
- 118.160-107.520 118.576-124.340
- 118.094-136.923 114.060-116.795
- 93.084 59.089 100.022-100.149
- 93.334 0.000 114.337 -77.475
- # 150 total E -1.76079E+02 rmsd from N 0.000 %NC 0.00 0
- 93.660 122.604 109.173 -81.369
- 118.598-116.397 145.960 -30.183
- 92.438 50.352 104.321 -86.972
- 91.402 43.070 147.194-103.280
- 90.966 44.382 101.030 -54.278
- 91.865 44.688 134.660 92.762
- 91.503 52.228 134.409-119.039
- 92.087 63.234 141.464-131.446
- 93.046 146.132 142.521-138.923
- 94.671 123.179 0.000 0.000
- 130.750 -58.736 0.000 0.000
- 128.405 106.119 114.510-111.518
- 92.480 -32.396 115.734 -80.332
- 90.615 -48.032 114.670 -76.065
- 93.731 70.154 0.000 0.000
- 128.435-113.127 151.444 73.011
- 117.934-107.492 122.029-133.403
- 118.090-138.723 119.362-121.845
- 93.123 60.217 134.199-159.116
- 93.329 0.000 114.455 -76.747
- # 151 total E -1.78648E+02 rmsd from N 0.000 %NC 0.00 0
- 93.632 48.095 110.400 -81.540
- 92.006 80.604 138.159 -16.581
- 92.520 46.859 101.187 -84.910
- 91.988 40.731 149.727 -99.156
- 91.050 44.661 121.109-109.074
- 91.788 46.546 140.428 102.614
- 91.330 55.469 138.209-114.771
- 91.843 63.126 140.562-131.126
- 92.944 167.108 141.641-133.934
- 94.785 125.614 0.000 0.000
- 129.889 -56.976 0.000 0.000
- 128.161 106.294 114.473-111.611
- 92.469 -32.109 116.809 -80.214
- 90.570 -48.588 114.672 -76.067
- 93.713 69.751 0.000 0.000
- 128.089-112.643 155.343 13.826
- 117.861-107.425 123.458-135.571
- 118.261-130.968 113.852-114.660
- 117.433-116.182 131.664-141.602
- 121.717 0.000 121.516 -80.484
- # 152 total E -1.76592E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 48.595 110.439 -81.479
- 92.007 82.409 138.113 -15.851
- 92.502 47.234 96.939 -83.485
- 91.874 43.142 147.303 -98.890
- 90.952 45.048 121.844-113.779
- 91.677 48.947 162.675 29.726
- 91.529 58.263 133.754-147.518
- 92.726 99.456 132.502-119.382
- 92.431 -90.485 142.298-135.134
- 95.233 30.769 0.000 0.000
- 137.790 -72.911 0.000 0.000
- 116.767 -81.252 114.101-117.409
- 92.594 74.187 119.168 -77.094
- 94.094 42.364 112.872 -77.492
- 95.288 68.107 0.000 0.000
- 120.821 -75.493 129.596-132.595
- 117.255-105.075 114.906-121.556
- 117.428-138.803 114.455-116.563
- 93.214 60.201 127.384-151.761
- 93.330 0.000 114.350 -76.840
- # 153 total E -1.75606E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 48.166 110.589 -81.700
- 91.993 81.690 135.950 -11.371
- 92.430 47.388 101.841 -85.847
- 91.839 41.841 150.301 -99.785
- 91.065 43.903 122.559-112.786
- 91.766 45.463 134.431 95.529
- 91.235 50.197 135.339-122.572
- 91.467 63.606 141.652-137.971
- 92.490 49.514 148.838 -15.845
- 94.824 73.015 0.000 0.000
- 94.167 71.120 0.000 0.000
- 93.898 118.484 96.471-103.224
- 92.030 -27.722 121.178 -72.628
- 89.413 -62.392 113.529 -76.666
- 93.437 29.934 0.000 0.000
- 127.526 -80.506 118.118 -53.774
- 117.494-107.420 126.854-137.347
- 117.851-137.478 116.958-119.508
- 93.178 60.401 130.654-154.397
- 93.330 0.000 114.390 -76.789
- # 154 total E -1.69781E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 49.410 147.923 -26.970
- 91.929 77.650 129.490 -12.397
- 92.553 46.479 96.436 -86.644
- 91.971 43.194 148.318 -98.020
- 91.012 43.994 118.874-114.223
- 91.811 44.268 150.191 32.418
- 91.335 50.270 132.707-136.029
- 92.087 63.658 142.235-129.872
- 92.864-112.600 133.066-109.881
- 94.922 148.927 0.000 0.000
- 135.686 -85.209 0.000 0.000
- 118.145 -88.068 107.695-107.349
- 93.049 65.930 115.228 -76.505
- 120.712 -98.762 114.021 -79.177
- 95.504 70.816 0.000 0.000
- 137.448 -96.951 99.540 -58.213
- 117.855-106.311 116.308-120.992
- 118.049-137.349 116.667-120.032
- 93.114 59.627 102.255-107.364
- 93.332 0.000 114.338 -77.255
- # 155 total E -1.80994E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.821 110.414 -81.576
- 92.003 80.316 135.640 -17.438
- 92.613 46.017 101.609 -85.006
- 92.124 41.792 151.052 -97.834
- 91.223 43.131 120.721-109.584
- 91.892 47.360 148.687 93.388
- 91.556 50.235 137.985-122.463
- 92.568 70.734 140.520-132.358
- 93.129 -53.323 143.344-124.783
- 118.434-156.196 0.000 0.000
- 95.150 59.012 0.000 0.000
- 95.077 113.121 97.569 -99.449
- 92.098 -31.685 132.562 -37.297
- 88.479 -56.626 113.544 -76.763
- 93.155 22.699 0.000 0.000
- 124.049 -90.128 139.451 -8.986
- 117.525-106.637 127.824-139.325
- 118.233-138.584 115.791-117.777
- 93.098 61.664 134.320-159.952
- 93.326 0.000 113.884 -76.618
- # 156 total E -1.68144E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 12.084 146.429 -29.539
- 121.255-102.013 154.453 -17.743
- 92.406 54.673 126.535 -42.235
- 91.281 48.789 142.297 -97.419
- 90.625 44.123 121.072 -99.292
- 91.326 48.344 140.716 19.706
- 91.454 49.463 149.913-151.963
- 92.410 70.706 138.174-132.414
- 92.905 -94.471 134.291-115.340
- 94.468 133.379 0.000 0.000
- 135.955 -46.984 0.000 0.000
- 117.526-132.004 120.094-126.775
- 126.799-147.387 122.358 -80.912
- 129.956-160.330 123.594 -79.631
- 94.610 85.892 0.000 0.000
- 124.998 -69.880 84.015 -67.914
- 117.271-106.817 120.054-126.941
- 118.540-133.003 115.288-117.497
- 93.120 58.442 92.430 -87.498
- 93.338 0.000 114.436 -78.090
- # 157 total E -1.77722E+02 rmsd from N 0.000 %NC 0.00 0
- 93.649 85.100 149.756 -24.116
- 92.555 127.083 141.804 -43.538
- 131.715 -90.391 93.078 -99.765
- 92.785 48.999 147.749-100.258
- 91.162 46.605 113.768 -48.346
- 91.973 47.579 149.748 51.382
- 91.358 54.911 134.499-116.217
- 91.917 63.967 138.956-131.007
- 92.834 165.888 132.244-127.214
- 95.026 120.332 0.000 0.000
- 128.921 -57.807 0.000 0.000
- 128.138 105.427 114.401-111.528
- 92.431 -32.794 115.583 -80.613
- 90.486 -47.107 114.529 -76.062
- 93.664 70.163 0.000 0.000
- 128.127-113.464 176.442 157.780
- 117.526-107.243 124.143-135.812
- 117.940-139.014 118.887-121.177
- 93.151 60.151 132.502-157.152
- 93.329 0.000 114.438 -76.779
- # 158 total E -1.79615E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.998 148.051 -27.566
- 91.909 78.334 131.183 -3.516
- 92.390 48.390 99.925 -88.512
- 91.741 42.754 150.178 -99.087
- 91.032 43.772 122.702-115.782
- 91.884 45.795 131.784 91.476
- 91.427 50.648 134.293-126.902
- 91.740 73.669 141.279-127.702
- 92.792 57.761 142.584-163.438
- 95.391 94.550 0.000 0.000
- 130.328 -76.475 0.000 0.000
- 129.622 98.081 112.256-107.661
- 92.347 -37.593 115.232 -83.116
- 90.877 -42.302 114.848 -76.011
- 93.847 77.443 0.000 0.000
- 129.309-108.089 134.511 134.798
- 118.455-106.972 113.146-119.587
- 117.764-137.582 122.424-128.428
- 93.118 58.999 101.335-100.233
- 93.333 0.000 114.607 -77.287
- # 159 total E -1.73253E+02 rmsd from N 0.000 %NC 0.00 0
- 93.673 122.536 146.697 -32.203
- 119.455-116.107 146.194 -29.445
- 92.605 53.858 143.557 -99.753
- 91.713 49.594 143.501-100.369
- 91.123 42.052 107.434 -69.042
- 91.907 47.069 111.192-109.581
- 91.263 49.647 135.656-136.511
- 91.657 69.865 141.172-135.911
- 93.149 36.350 144.105-125.510
- 95.507 78.582 0.000 0.000
- 132.392 -53.759 0.000 0.000
- 92.800 66.414 101.435-104.110
- 92.830 47.060 113.997 -76.568
- 93.368 53.221 113.205 -78.871
- 94.631 65.866 0.000 0.000
- 119.822 -77.852 126.541-116.784
- 117.985-107.882 117.249-123.941
- 117.970-137.522 116.110-118.844
- 93.089 59.359 101.649-103.702
- 93.333 0.000 114.435 -77.253
- # 160 total E -1.73733E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 49.041 110.576 -81.539
- 92.022 80.065 138.086 -13.721
- 92.437 46.815 97.731 -88.335
- 91.785 42.745 167.376-167.616
- 90.745 45.589 130.472 -91.652
- 91.453 46.248 147.631 95.822
- 91.200 63.019 134.534-106.069
- 91.777 72.707 133.735-115.045
- 93.214 25.116 102.388 -76.127
- 123.560 -16.012 0.000 0.000
- 128.345 -58.566 0.000 0.000
- 121.821 163.957 121.718-125.047
- 93.624 81.669 117.106 -77.079
- 94.372 44.039 115.042 -76.987
- 95.167 69.768 0.000 0.000
- 120.583 -76.701 85.564 -67.105
- 117.264-106.112 120.069-127.424
- 117.874-138.926 112.249-113.823
- 93.094 56.192 101.102-111.095
- 93.341 0.000 114.747 -78.425
- # 161 total E -1.70236E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.621 147.965 -27.371
- 91.911 78.238 130.609 -7.546
- 92.428 47.350 94.679 -87.114
- 91.795 43.367 148.187 -99.082
- 90.933 43.435 120.438-116.578
- 91.763 45.977 146.903 17.060
- 91.476 45.944 135.401-136.793
- 92.390 70.502 139.224-129.217
- 93.059 -45.968 133.018-112.239
- 122.915-144.293 0.000 0.000
- 94.744 71.352 0.000 0.000
- 93.416 108.205 96.791-101.248
- 130.542 -96.528 123.477 -83.003
- 94.433 58.698 113.138 -76.437
- 95.424 75.029 0.000 0.000
- 124.109 -78.790 141.963-160.435
- 117.736-107.267 116.972-123.889
- 117.922-137.521 114.813-116.987
- 93.156 60.450 129.160-152.131
- 93.328 0.000 114.338 -76.808
- # 162 total E -1.77507E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.093 148.000 -27.868
- 91.917 79.609 130.316 -6.280
- 92.495 48.413 96.531 -88.127
- 91.887 43.201 149.291 -99.333
- 91.050 45.935 120.550-116.758
- 92.042 49.162 146.825 35.987
- 91.906 63.622 133.076-134.808
- 92.998 117.005 138.723-134.233
- 113.650 -81.143 155.508-161.003
- 128.435 -7.711 0.000 0.000
- 128.331 -67.804 0.000 0.000
- 111.777 -52.098 96.223 -85.772
- 89.918 76.125 114.443 -75.883
- 90.715 3.268 113.891 -76.887
- 103.526 -69.488 0.000 0.000
- 127.358 -52.022 162.325 -73.409
- 121.674-161.000 111.445-113.847
- 119.202-142.720 105.969-105.226
- 93.010 60.596 132.024-157.762
- 93.327 0.000 114.106 -76.712
- # 163 total E -1.73098E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.240 147.964 -27.654
- 91.902 78.722 130.309 -5.659
- 92.449 47.482 96.000 -87.801
- 91.841 43.133 149.612 -99.237
- 90.972 43.655 120.415-117.132
- 91.769 47.070 142.120 26.680
- 91.515 46.980 135.774-130.919
- 92.610 72.332 139.029-132.005
- 93.219 -97.986 135.546-116.109
- 94.709 152.027 0.000 0.000
- 138.405 -74.163 0.000 0.000
- 124.686 108.553 119.565-121.017
- 125.654-101.783 124.495 -78.004
- 94.556 44.790 115.884 -76.325
- 95.649 74.377 0.000 0.000
- 123.987 -77.852 136.660 -80.404
- 117.571-106.582 113.507-119.641
- 118.285-138.648 114.690-116.914
- 93.146 60.302 127.099-148.589
- 93.329 0.000 114.321 -76.858
- # 164 total E -1.73957E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 49.193 147.793 -26.728
- 91.902 76.704 128.964 -9.076
- 92.689 45.606 96.955 -88.689
- 91.935 43.209 150.551 -96.393
- 90.964 43.496 118.144-113.839
- 91.860 48.709 118.191 34.113
- 91.245 43.863 136.272-136.122
- 92.427 70.521 137.178-133.464
- 93.812 -91.513 139.888-113.585
- 137.174 -77.698 0.000 0.000
- 136.194 -23.665 0.000 0.000
- 111.380 -29.518 94.989 -83.611
- 91.808 92.560 114.757 -76.063
- 91.773 -17.241 109.426 -78.019
- 111.775 -32.197 0.000 0.000
- 131.675 -72.871 131.550 -66.672
- 118.406-114.404 111.355-114.906
- 117.575-120.010 121.432-127.028
- 117.385-116.185 129.541-136.977
- 121.717 0.000 121.528 -80.473
- # 165 total E -1.75904E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.388 148.057 -27.638
- 91.908 78.221 131.376 -3.597
- 92.375 48.385 99.942 -88.450
- 91.698 42.467 149.587-100.126
- 91.021 44.033 122.684-115.108
- 91.866 44.211 133.367 86.981
- 91.352 49.060 133.111-126.222
- 91.898 56.349 142.289-137.949
- 93.439 108.429 151.630 -23.017
- 125.403 -67.836 0.000 0.000
- 122.152 -69.839 0.000 0.000
- 91.687 49.536 101.100-100.203
- 93.349 34.067 114.492 -76.791
- 95.773 -90.877 137.715 -22.404
- 126.229 0.437 0.000 0.000
- 130.703 -72.125 125.083 -64.222
- 118.907-108.564 113.134-116.393
- 117.940-139.801 129.422-138.669
- 92.918 59.286 99.527-102.229
- 93.338 0.000 110.063 -81.176
- # 166 total E -1.77148E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 47.571 110.308 -81.529
- 92.012 79.983 139.346 -17.391
- 92.473 46.304 102.416 -83.181
- 91.857 41.758 151.645 -98.441
- 91.131 44.277 121.792-109.556
- 91.897 44.829 152.414 90.418
- 91.493 48.219 135.221-118.936
- 92.071 64.464 141.486-133.321
- 93.166 153.121 140.552-112.779
- 94.355 90.365 0.000 0.000
- 129.248 -40.762 0.000 0.000
- 92.452 67.113 101.789-104.322
- 92.350 51.412 113.341 -71.421
- 92.916 47.329 114.633 -79.329
- 94.036 59.751 0.000 0.000
- 111.386 -61.413 122.505-109.329
- 117.860-106.415 117.392-124.428
- 118.177-134.167 113.592-115.591
- 93.088 56.117 93.954-101.885
- 93.345 0.000 115.424 -78.386
- # 167 total E -1.81819E+02 rmsd from N 0.000 %NC 0.00 0
- 93.687 86.275 146.086 6.004
- 91.911 74.438 139.589 -20.251
- 92.393 45.980 136.987 109.153
- 91.843 44.006 137.788 -85.989
- 90.938 42.999 117.266-119.810
- 91.497 50.794 134.721 -7.366
- 91.384 44.356 151.871-176.000
- 92.589 72.576 134.943-130.651
- 93.110 -87.134 133.642-120.357
- 94.566 154.445 0.000 0.000
- 137.133 -49.100 0.000 0.000
- 92.492 61.791 95.468-102.608
- 92.706 50.356 113.685 -74.527
- 93.322 51.272 112.914 -79.059
- 94.760 66.691 0.000 0.000
- 119.975 -78.114 125.676-116.139
- 117.983-107.892 117.267-123.979
- 117.967-137.514 116.050-118.756
- 93.089 59.360 101.711-103.906
- 93.329 0.000 114.432 -77.252
- # 168 total E -1.71254E+02 rmsd from N 0.000 %NC 0.00 0
- 93.647 89.947 106.862 -76.153
- 92.575 121.743 150.213 -47.270
- 131.791 -89.478 92.949 -97.411
- 92.541 52.053 141.987 -93.830
- 90.995 42.998 120.478 -71.983
- 91.621 49.425 123.975 -32.697
- 91.328 43.597 150.565-134.416
- 92.257 71.079 137.368-133.249
- 93.078 -7.141 138.795-125.516
- 123.484-137.893 0.000 0.000
- 94.627 77.989 0.000 0.000
- 92.889 69.660 97.396-103.523
- 92.328 48.909 115.345 -74.385
- 93.061 52.072 115.052 -79.129
- 94.411 63.945 0.000 0.000
- 117.030 -72.383 71.209 -73.429
- 117.224-106.194 119.546-126.769
- 118.107-138.985 113.563-115.191
- 92.985 57.478 98.113-106.241
- 93.340 0.000 112.388 -79.946
- # 169 total E -1.74442E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 49.815 147.800 -26.356
- 91.898 76.757 127.247 -11.343
- 92.569 45.287 94.082 -87.336
- 91.948 43.487 148.926 -96.966
- 90.945 43.367 117.562-118.583
- 91.882 45.531 138.542 24.312
- 91.473 46.343 133.223-141.324
- 92.420 65.794 140.633-131.339
- 93.090 -78.038 134.966-120.718
- 126.033 -73.949 0.000 0.000
- 131.702 -51.523 0.000 0.000
- 93.262 60.214 98.898 -94.808
- 93.819 104.561 114.580 -76.935
- 126.980 -98.229 119.068 -84.009
- 95.123 74.837 0.000 0.000
- 128.160 -77.889 149.733 -47.382
- 118.229-109.457 109.493-112.842
- 117.975-138.336 120.297-124.640
- 93.088 59.963 132.031-155.248
- 93.329 0.000 114.220 -77.113
- # 170 total E -1.77570E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 48.084 110.269 -81.444
- 91.974 83.139 139.600 -16.738
- 92.542 46.615 94.374 -76.388
- 92.068 42.856 148.183 -96.154
- 91.020 44.151 121.669-113.343
- 91.726 46.836 137.567 -35.813
- 91.407 50.730 134.359-143.128
- 92.303 82.815 138.528-124.874
- 93.362 -88.468 136.006-125.697
- 133.774 -57.427 0.000 0.000
- 94.737 73.155 0.000 0.000
- 92.356 61.979 97.042-102.124
- 91.882 52.338 110.963 -76.986
- 92.551 52.321 113.113 -78.305
- 94.206 66.611 0.000 0.000
- 115.912 -67.170 111.004 -81.970
- 118.170-107.310 117.409-124.075
- 118.166-135.065 113.527-115.797
- 93.101 58.225 95.957-102.268
- 93.335 0.000 114.578 -77.887
- # 171 total E -1.71182E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 48.403 110.408 -81.456
- 92.006 82.234 138.381 -16.570
- 92.511 47.155 96.916 -83.260
- 91.879 43.076 147.194 -98.887
- 90.947 45.065 121.736-113.386
- 91.672 49.005 163.462 29.288
- 91.515 57.985 133.764-148.132
- 92.725 98.792 132.350-119.410
- 92.458 -90.919 142.039-134.669
- 95.230 31.546 0.000 0.000
- 137.780 -73.159 0.000 0.000
- 116.804 -81.568 114.084-117.349
- 92.613 74.198 119.238 -77.108
- 94.111 42.735 112.869 -77.493
- 95.325 67.590 0.000 0.000
- 120.861 -77.411 128.995-132.294
- 117.210-105.771 115.850-122.892
- 117.606-134.265 112.041-113.342
- 117.464-110.468 131.164-144.104
- 94.590 0.000 116.208 -77.309
- # 172 total E -1.69271E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 122.956 109.545 -81.169
- 118.978-113.757 144.931 -30.103
- 92.384 50.743 110.248 -85.948
- 91.342 44.782 145.726-100.566
- 90.880 44.044 115.322 -70.252
- 91.811 48.144 137.907 40.201
- 91.729 51.866 135.343-139.476
- 92.681 80.518 138.086-129.588
- 113.252-112.712 146.036-128.808
- 95.219 153.745 0.000 0.000
- 132.413 -66.220 0.000 0.000
- 127.991 101.873 114.253-111.952
- 92.526 -33.740 116.625 -80.386
- 90.632 -46.352 114.575 -76.146
- 93.798 71.086 0.000 0.000
- 128.299-112.533 110.721 -49.033
- 117.895-107.316 125.535-134.655
- 117.680-114.851 113.232-114.842
- 117.723-118.095 122.867-129.302
- 122.231 0.000 121.839 -83.429
- # 173 total E -1.79247E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 48.078 110.560 -81.691
- 91.994 81.276 136.436 -11.766
- 92.428 47.185 102.087 -85.676
- 91.838 41.800 150.153 -99.956
- 91.080 43.727 122.381-112.544
- 91.803 45.389 135.872 96.151
- 91.290 50.364 135.682-121.779
- 91.619 68.990 141.846-138.241
- 93.176 37.319 148.809 -19.897
- 95.470 78.768 0.000 0.000
- 132.425 -54.643 0.000 0.000
- 92.818 66.339 101.457-104.152
- 92.860 46.804 114.024 -76.587
- 93.379 53.440 113.453 -78.958
- 94.634 66.044 0.000 0.000
- 119.871 -78.011 126.627-117.073
- 117.999-107.899 117.254-123.938
- 117.967-137.497 116.114-118.848
- 93.089 59.361 101.657-103.711
- 93.334 0.000 114.433 -77.253
- # 174 total E -1.68857E+02 rmsd from N 0.000 %NC 0.00 0
- 93.710 125.650 146.428 -13.670
- 119.974-112.254 146.652 -29.859
- 93.132 46.761 132.593-112.320
- 91.809 51.432 132.623 -92.832
- 91.031 42.135 100.353 -50.017
- 91.584 50.079 102.155 -67.617
- 91.450 42.261 157.541-157.422
- 92.744 73.289 135.397-136.327
- 93.066 -50.458 146.394 -46.248
- 123.468 -47.035 0.000 0.000
- 121.107 -28.946 0.000 0.000
- 117.092-145.227 122.347-128.820
- 127.268-156.340 118.675 -84.691
- 94.233 52.408 116.051 -76.309
- 95.405 78.931 0.000 0.000
- 125.584 -72.096 161.603-174.317
- 117.264-106.098 110.900-116.307
- 118.235-138.985 115.236-117.429
- 93.151 60.364 129.987-153.984
- 93.325 0.000 114.317 -76.831
- # 175 total E -1.73172E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 53.830 148.127 -24.519
- 91.941 74.078 130.711 0.023
- 92.355 47.645 100.591 -86.471
- 91.803 43.109 147.165 -98.668
- 90.869 43.789 120.011-118.098
- 91.538 47.037 142.981 23.055
- 91.471 48.333 138.548-140.783
- 92.477 70.171 138.871-131.436
- 92.952 -96.614 134.158-114.724
- 94.477 131.616 0.000 0.000
- 135.323 -46.383 0.000 0.000
- 117.503-133.422 120.568-127.100
- 126.996-145.885 122.400 -80.928
- 128.185-168.354 122.925 -81.732
- 94.939 93.879 0.000 0.000
- 127.287 -78.543 74.132 -69.664
- 117.445-107.278 119.815-126.998
- 118.260-136.864 112.754-114.284
- 93.044 58.171 98.486-104.771
- 93.338 0.000 113.638 -78.624
- # 176 total E -1.72487E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 47.985 110.332 -81.446
- 92.014 79.647 137.448 -20.235
- 92.590 47.285 96.628 -81.724
- 92.038 43.189 147.810-103.512
- 91.070 46.024 122.231-106.248
- 92.288 51.285 164.341 6.636
- 92.121 75.329 134.281-136.801
- 92.831 145.233 124.739-124.663
- 92.729 115.265 109.844 -71.406
- 129.684 -1.683 0.000 0.000
- 129.627 -67.311 0.000 0.000
- 102.046 -27.351 97.232 -93.161
- 91.468 99.491 114.566 -76.257
- 91.273 -19.520 114.019 -77.710
- 101.658 -54.131 0.000 0.000
- 129.098 -53.364 114.515 -98.086
- 119.661-113.088 112.321-115.771
- 118.068-137.700 121.247-127.882
- 93.024 59.373 104.215-107.774
- 93.332 0.000 114.447 -77.259
- # 177 total E -1.70954E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 48.569 148.010 -27.541
- 91.923 78.397 130.427 -9.519
- 92.500 47.487 99.257 -88.343
- 91.923 41.712 149.440 -99.500
- 91.138 44.186 120.620-112.029
- 91.941 45.474 138.109 86.516
- 91.577 50.134 134.538-124.849
- 92.460 72.968 140.996-132.027
- 93.608 -76.173 148.099-138.491
- 136.590 -69.462 0.000 0.000
- 134.597 -9.984 0.000 0.000
- 129.876 123.609 114.803-111.091
- 93.129 -24.838 114.785 -72.343
- 90.931 -53.116 114.412 -76.188
- 93.903 52.760 0.000 0.000
- 130.462-107.050 143.826 168.805
- 117.638-107.011 103.759-106.283
- 117.585-139.999 119.201-124.242
- 93.141 59.943 133.317-159.074
- 93.333 0.000 114.518 -76.793
- # 178 total E -1.71079E+02 rmsd from N 0.000 %NC 0.00 0
- 93.691 124.317 147.516 -22.304
- 119.930-110.833 144.910 -33.197
- 92.416 48.111 104.705 -85.995
- 91.064 45.022 144.855 -95.927
- 90.669 44.128 117.507 -67.785
- 91.479 47.832 112.208 39.539
- 91.239 46.090 143.781-133.489
- 92.362 73.045 137.649-132.670
- 93.642 -91.333 142.638-126.855
- 137.543 -78.467 0.000 0.000
- 135.949 -26.484 0.000 0.000
- 110.184 -30.028 94.965 -85.502
- 91.774 94.020 114.681 -76.091
- 91.772 -18.448 109.205 -78.178
- 110.694 -34.771 0.000 0.000
- 130.688 -71.947 128.890 -72.380
- 118.485-113.817 111.292-114.755
- 117.269-144.270 124.650-132.616
- 93.018 51.774 106.022-106.402
- 93.353 0.000 114.623 -80.194
- # 179 total E -1.74360E+02 rmsd from N 0.000 %NC 0.00 0
- 93.680 81.829 147.805 0.427
- 91.942 77.903 136.704 -22.836
- 92.525 46.256 138.420-109.698
- 91.791 49.682 128.266 -85.890
- 90.954 43.926 119.198-123.973
- 91.486 49.239 100.759 -63.439
- 91.508 42.588 162.975-158.761
- 92.769 75.855 135.002-135.008
- 92.988 -44.993 145.617 -49.864
- 122.971 -51.026 0.000 0.000
- 120.269 -28.589 0.000 0.000
- 116.985-144.007 122.075-128.463
- 126.466-157.563 117.687 -85.969
- 94.317 53.279 116.068 -76.322
- 95.420 76.640 0.000 0.000
- 124.545 -74.523 159.041-163.099
- 117.250-106.064 110.498-115.767
- 117.938-139.476 115.083-117.480
- 93.158 60.168 129.814-154.543
- 93.329 0.000 114.367 -76.826
- # 180 total E -1.73469E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 35.291 104.637 -79.969
- 92.504 157.480 132.497 -10.301
- 93.542 84.058 100.183 -73.485
- 92.843 7.510 168.242-160.979
- 90.884 -95.865 124.630 -52.430
- 108.419 169.769 141.101 -33.164
- 92.092 80.316 144.385 -11.273
- 93.694 78.863 112.933-114.039
- 92.872 -95.388 98.713 -79.860
- 94.086 25.934 0.000 0.000
- 126.956 -50.836 0.000 0.000
- 116.389-169.197 124.037-131.526
- 128.299-154.095 145.364 2.082
- 122.180 175.412 121.514 -78.595
- 95.106 84.310 0.000 0.000
- 127.453 -82.637 115.165-133.113
- 118.095-108.389 117.001-123.141
- 118.035-136.906 116.411-119.261
- 93.106 59.297 101.575-103.310
- 93.331 0.000 114.438 -77.251
- # 181 total E -1.69026E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 48.926 148.036 -27.208
- 91.902 77.882 130.022 -3.238
- 92.429 48.368 98.920 -89.361
- 91.721 42.622 148.429 -97.656
- 91.018 45.049 120.670-116.887
- 91.745 46.185 137.199 57.837
- 91.308 50.542 132.807-135.222
- 91.939 60.574 140.086-136.217
- 93.245 166.497 140.146 -34.520
- 135.091 -68.069 0.000 0.000
- 127.538 -32.518 0.000 0.000
- 92.431 69.758 100.538-100.122
- 92.617 21.492 113.362 -76.712
- 96.472-115.635 112.106 -77.302
- 95.253 153.527 0.000 0.000
- 132.498 -98.985 102.250 -57.859
- 117.519-108.366 114.309-119.676
- 118.183-125.284 112.448-113.832
- 117.594-116.336 125.246-132.342
- 121.726 0.000 121.536 -80.552
- # 182 total E -1.72574E+02 rmsd from N 0.000 %NC 0.00 0
- 93.680 92.735 145.650 16.501
- 91.860 76.353 140.118 -18.191
- 92.199 47.473 97.705 -79.731
- 91.593 43.747 149.093 -99.087
- 90.825 43.829 121.272-113.381
- 91.697 45.941 155.613 120.519
- 91.444 64.684 142.284 -51.603
- 91.667 96.051 131.753-107.155
- 93.528 -42.428 141.418-125.569
- 96.142 84.318 0.000 0.000
- 133.521 -79.142 0.000 0.000
- 129.949 149.083 118.822-116.096
- 93.794 75.859 115.489 -74.904
- 94.296 47.505 115.010 -76.964
- 95.510 72.441 0.000 0.000
- 123.478 -89.938 123.494 -72.886
- 118.366-111.310 117.314-124.031
- 117.707-118.003 111.652-113.003
- 117.608-116.222 127.667-134.664
- 121.728 0.000 121.549 -80.514
- # 183 total E -1.74218E+02 rmsd from N 0.000 %NC 0.00 0
- 93.682 91.095 145.286 -15.029
- 92.591 128.052 150.059 -30.569
- 131.622 -87.574 90.968 -97.441
- 92.487 49.793 145.523-102.065
- 90.956 45.045 117.657 -82.780
- 91.861 52.471 143.200 30.808
- 91.525 49.643 144.171-114.988
- 92.587 78.739 134.447-134.027
- 112.262-108.004 144.355-126.251
- 95.273 155.539 0.000 0.000
- 132.287 -66.644 0.000 0.000
- 128.515 101.035 113.902-111.087
- 92.559 -33.459 116.229 -79.922
- 90.632 -46.475 114.595 -76.143
- 93.830 69.477 0.000 0.000
- 128.516-112.180 110.810 -47.432
- 117.557-105.338 128.642-138.742
- 118.122-137.076 111.093-112.278
- 93.101 60.176 101.568-105.793
- 93.331 0.000 114.092 -77.207
- # 184 total E -1.73960E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.606 147.868 -27.069
- 91.890 76.839 129.307 -6.712
- 92.582 45.883 92.631 -86.410
- 91.883 42.124 149.908 -96.915
- 90.772 45.390 120.172-112.755
- 91.686 46.435 130.218 29.695
- 91.273 47.092 131.986-143.355
- 92.272 49.137 138.673-136.415
- 94.035-158.868 156.356 -10.309
- 135.405 -65.010 0.000 0.000
- 127.514 -28.966 0.000 0.000
- 92.339 68.606 100.869-101.012
- 92.504 22.688 113.239 -76.686
- 95.771-115.798 110.910 -78.776
- 95.519 150.486 0.000 0.000
- 130.247-103.133 146.546 39.003
- 117.996-108.617 107.868-106.802
- 117.910-139.439 122.617-128.591
- 93.007 59.791 140.287-166.250
- 93.329 0.000 114.631 -76.732
- # 185 total E -1.73627E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 39.639 107.788 -81.190
- 92.614 155.442 140.957 -9.329
- 92.043 79.677 102.034 -76.459
- 93.258 20.989 167.170-148.079
- 91.926-101.282 107.885 -41.879
- 94.152 147.437 136.649-133.419
- 91.886 65.876 146.907 -15.860
- 93.208 86.670 133.976-107.641
- 92.392 -90.655 133.748-127.546
- 94.465 26.026 0.000 0.000
- 130.942 -60.097 0.000 0.000
- 115.941-178.534 119.260-124.997
- 130.568-154.448 143.845 173.786
- 125.461 -64.108 120.346 -79.208
- 95.591 75.961 0.000 0.000
- 126.028 -80.757 121.798-133.005
- 117.978-111.093 114.567-119.455
- 117.408-135.494 138.283-153.786
- 93.150 59.149 100.501 -97.314
- 93.333 0.000 114.554 -77.410
- # 186 total E -1.79216E+02 rmsd from N 0.000 %NC 0.00 0
- 93.682 84.237 147.378 1.952
- 91.929 73.552 137.509 -28.280
- 92.512 49.630 147.517-105.811
- 91.949 42.341 137.533 -93.609
- 90.993 44.320 113.088-116.091
- 91.545 51.651 111.652 -62.761
- 91.324 43.875 149.820-140.123
- 92.552 64.455 133.003-134.280
- 93.502 -26.811 152.652-130.098
- 128.670-121.126 0.000 0.000
- 94.684 81.992 0.000 0.000
- 92.661 73.139 97.878-104.532
- 92.312 59.566 108.922 -82.084
- 92.672 54.914 114.007 -78.256
- 94.077 66.155 0.000 0.000
- 115.544 -67.042 96.472 -76.283
- 118.054-107.742 117.686-124.390
- 118.542-137.228 112.305-114.464
- 93.042 58.815 98.012 -95.879
- 93.335 0.000 113.800 -78.142
- # 187 total E -1.69948E+02 rmsd from N 0.000 %NC 0.00 0
- 93.666 86.864 148.626 -15.346
- 92.602 134.950 142.331 -41.627
- 131.082 -94.173 97.717-103.150
- 92.887 48.151 149.443-100.184
- 91.126 45.680 106.137 -65.403
- 92.238 44.607 159.101 97.561
- 91.628 50.612 134.915-101.579
- 92.716 68.906 142.201-131.717
- 93.620-103.269 137.526-121.560
- 128.998 -71.010 0.000 0.000
- 94.704 59.186 0.000 0.000
- 92.497 67.658 98.286-102.073
- 91.966 56.065 108.938 -82.246
- 92.534 48.290 114.363 -78.259
- 94.007 61.859 0.000 0.000
- 113.274 -61.985 106.600 -75.128
- 117.966-105.934 118.104-125.350
- 118.614-140.030 114.836-116.842
- 92.930 54.438 95.604-105.361
- 93.351 0.000 112.141 -81.623
- # 188 total E -1.75229E+02 rmsd from N 0.000 %NC 0.00 0
- 93.749 129.715 143.635 17.113
- 117.341-109.776 141.898 -31.284
- 92.522 49.554 113.678 116.417
- 91.242 44.193 145.344 -94.270
- 90.815 43.830 117.357 -71.563
- 91.411 50.722 138.031 38.597
- 91.336 43.706 142.964-151.603
- 92.695 73.842 134.715-133.233
- 93.122 -80.407 140.488-121.458
- 94.729 160.528 0.000 0.000
- 135.902 -41.458 0.000 0.000
- 91.806 61.558 96.612-102.235
- 92.356 34.763 113.084 -77.951
- 95.275-108.884 113.343 -75.923
- 95.793 157.088 0.000 0.000
- 129.603 -86.075 132.653 -45.903
- 118.106-108.347 117.918-123.592
- 118.145-136.603 114.409-117.079
- 93.078 59.179 100.342-100.008
- 93.333 0.000 114.302 -77.539
- # 189 total E -1.74794E+02 rmsd from N 0.000 %NC 0.00 0
- 93.660 122.933 109.472 -81.162
- 119.083-113.036 148.056 -29.227
- 92.462 48.569 100.883 -85.669
- 91.492 44.644 146.016-101.307
- 90.917 43.009 131.414-114.605
- 91.731 47.083 139.619 15.678
- 91.576 45.532 135.429-136.976
- 92.739 73.539 138.297-131.184
- 93.112 -93.009 134.719-117.634
- 94.490 154.475 0.000 0.000
- 136.779 -56.570 0.000 0.000
- 92.466 61.495 100.808-109.916
- 92.747 50.706 113.539 -76.533
- 93.339 51.623 112.970 -78.805
- 94.731 66.341 0.000 0.000
- 119.965 -77.929 126.552-119.053
- 117.965-107.860 117.276-123.976
- 117.965-137.554 116.068-118.786
- 93.090 59.355 101.685-103.885
- 93.332 0.000 114.432 -77.255
- # 190 total E -1.70787E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 36.487 105.058 -79.739
- 92.542 155.921 135.203 -3.671
- 93.465 86.592 100.278 -67.763
- 93.667 5.073 170.002-163.025
- 91.413 -90.640 101.486 -50.080
- 113.061 163.759 105.352 -67.265
- 92.243 74.131 148.829 -17.082
- 93.403 79.336 127.218-131.253
- 117.522-118.592 157.385-167.601
- 95.217 151.370 0.000 0.000
- 131.921 -69.602 0.000 0.000
- 127.754 100.029 114.156-111.507
- 92.503 -34.854 115.049 -81.093
- 90.637 -44.971 114.673 -76.097
- 93.907 72.519 0.000 0.000
- 128.345-111.510 120.298 -40.844
- 117.745-106.347 119.645-128.135
- 117.763-140.905 117.708-120.847
- 93.142 59.756 133.430-159.807
- 93.328 0.000 114.557 -76.748
- # 191 total E -1.72474E+02 rmsd from N 0.000 %NC 0.00 0
- 93.673 91.304 146.865 -17.969
- 92.602 124.949 142.520 -41.827
- 131.197 -91.887 95.107 -98.943
- 92.787 49.343 148.336-101.503
- 91.224 44.939 113.689 -70.464
- 92.232 52.317 137.046 46.544
- 91.738 46.103 138.377-117.266
- 92.878 95.052 136.713-136.683
- 129.212 -2.654 160.128-161.371
- 130.928 -30.179 0.000 0.000
- 127.422 -61.196 0.000 0.000
- 100.665 -29.387 131.341-152.558
- 91.321 97.170 115.279 -76.116
- 91.243 -17.315 113.333 -76.844
- 99.162 -66.903 0.000 0.000
- 126.827 -46.426 151.823-157.743
- 118.320-110.831 111.290-117.580
- 118.193-139.590 120.484-125.886
- 92.983 59.957 129.782-152.405
- 93.329 0.000 114.426 -76.836
- # 192 total E -1.69126E+02 rmsd from N 0.000 %NC 0.00 0
- 93.697 88.689 144.383 10.146
- 91.833 75.495 132.801 2.711
- 92.245 46.969 97.635 -77.186
- 91.811 43.976 144.874-101.123
- 90.902 43.427 121.335-121.746
- 91.533 46.815 137.309 22.448
- 91.477 48.789 136.449-148.552
- 92.445 74.140 138.830-129.191
- 92.932 -99.862 135.419-117.943
- 94.741 123.037 0.000 0.000
- 134.813 -57.998 0.000 0.000
- 117.587-141.220 120.587-126.763
- 127.040-165.075 122.525 -81.046
- 127.416 -95.696 119.165 -81.245
- 95.135 161.139 0.000 0.000
- 130.552-100.317 102.751 -87.629
- 118.138-110.414 114.702-120.667
- 117.962-118.667 111.201-112.304
- 117.616-116.224 129.417-139.256
- 121.717 0.000 121.576 -80.446
- # 193 total E -1.76164E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 122.722 109.261 -81.282
- 118.282-117.519 144.876 -30.585
- 92.476 49.476 104.138 -86.016
- 91.389 45.011 148.526-101.202
- 90.860 44.599 101.171 -54.104
- 91.746 45.615 112.315 68.606
- 91.287 50.698 131.529-132.245
- 92.011 52.315 140.984-134.293
- 93.237 135.023 148.043-150.637
- 130.441 -42.176 0.000 0.000
- 125.961 -59.273 0.000 0.000
- 105.587 -32.916 96.015 -89.387
- 91.143 95.279 114.517 -76.122
- 91.344 -16.741 110.286 -78.638
- 103.390 -54.917 0.000 0.000
- 129.903 -50.779 126.870 -66.944
- 120.150-114.731 112.496-114.188
- 118.439-139.417 119.379-124.901
- 92.958 59.640 108.502-115.327
- 93.330 0.000 113.976 -77.399
- # 194 total E -1.80184E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 49.035 147.974 -27.069
- 91.896 78.118 129.645 -3.409
- 92.476 47.771 96.964 -89.212
- 91.802 43.376 148.373 -97.885
- 90.968 44.178 119.678-118.556
- 91.846 48.704 138.314 37.192
- 91.688 50.929 135.707-140.763
- 92.671 81.221 137.772-129.892
- 112.884-111.927 145.676-129.094
- 95.367 155.148 0.000 0.000
- 131.786 -67.324 0.000 0.000
- 128.280 100.606 113.681-110.706
- 92.506 -34.283 115.791 -80.670
- 90.655 -45.612 114.657 -76.117
- 93.872 71.580 0.000 0.000
- 128.287-111.432 113.869 -44.286
- 117.688-106.256 125.930-135.380
- 117.995-138.246 115.685-117.750
- 93.158 60.486 130.620-154.797
- 93.329 0.000 114.324 -76.797
- # 195 total E -1.74260E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 45.256 108.490 -80.485
- 92.531 157.047 146.251 -10.422
- 93.588 84.854 147.714-102.543
- 92.494 9.433 133.876 -85.891
- 90.628-100.890 103.424 -53.625
- 100.914 176.389 142.316 130.357
- 92.255 46.606 146.725 -7.927
- 94.097 96.333 129.958-103.851
- 91.796 -41.911 136.827-168.981
- 95.201 -55.574 0.000 0.000
- 94.115 29.388 0.000 0.000
- 127.090 168.175 114.668-112.716
- 133.777-137.573 144.659 -31.498
- 123.700 -24.982 121.262 -79.700
- 95.273 161.075 0.000 0.000
- 128.979 -83.429 157.376 -21.739
- 117.448-107.343 117.003-123.637
- 118.120-138.199 112.803-114.745
- 93.057 59.511 103.269-109.895
- 93.336 0.000 114.156 -77.381
- # 196 total E -1.68072E+02 rmsd from N 0.000 %NC 0.00 0
- 93.685 85.406 146.349 5.125
- 91.827 77.134 128.499 8.767
- 92.394 50.012 98.236 -92.812
- 91.668 49.184 137.956 -96.044
- 91.108 45.164 125.835-132.548
- 92.518 82.191 139.279 97.232
- 91.758 7.300 141.704 -51.301
- 104.576 -92.504 150.706 -80.086
- 121.858 -64.813 157.941-150.453
- 129.309 -10.392 0.000 0.000
- 128.515 -65.939 0.000 0.000
- 111.864 -51.744 96.160 -84.936
- 89.923 76.137 114.413 -75.868
- 90.677 2.979 113.874 -76.921
- 103.208 -70.451 0.000 0.000
- 128.006 -50.540 133.194-115.516
- 119.622-147.161 108.618-110.821
- 121.739-143.561 111.860-112.044
- 92.990 57.402 100.360-101.042
- 93.333 0.000 114.530 -77.641
- # 197 total E -1.68722E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 122.681 109.195 -81.291
- 118.285-117.514 145.816 -30.163
- 92.430 50.211 104.389 -87.399
- 91.343 43.753 146.909-102.921
- 90.952 43.735 100.483 -53.776
- 91.859 43.948 132.750 86.629
- 91.349 49.610 133.054-126.324
- 91.869 56.385 142.305-137.881
- 93.444 108.252 151.788 -22.826
- 125.435 -67.919 0.000 0.000
- 122.169 -69.789 0.000 0.000
- 91.682 49.545 101.096-100.188
- 93.338 33.990 114.490 -76.790
- 95.779 -90.981 137.748 -22.334
- 126.245 0.483 0.000 0.000
- 130.694 -72.212 125.051 -64.157
- 118.906-108.540 113.168-116.442
- 117.910-139.822 129.456-138.705
- 92.921 59.265 99.481-102.302
- 93.337 0.000 109.960 -81.242
- # 198 total E -1.79147E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 47.849 147.956 -27.931
- 91.894 79.120 130.048 -2.797
- 92.476 47.720 98.648 -89.525
- 91.709 44.108 152.238 -96.815
- 90.991 43.591 123.137-118.212
- 92.100 49.212 120.375 74.466
- 92.086 42.039 133.622-134.034
- 93.374 90.129 138.164-134.538
- 130.763 4.150 157.178 162.903
- 130.379 -32.657 0.000 0.000
- 127.495 -61.206 0.000 0.000
- 101.065 -30.069 131.014-151.611
- 91.279 96.548 115.257 -76.125
- 91.271 -16.877 112.592 -76.899
- 99.360 -66.599 0.000 0.000
- 127.457 -47.068 143.487-151.384
- 118.332-110.810 110.938-116.987
- 118.026-139.675 120.834-126.333
- 92.987 59.837 129.726-152.479
- 93.330 0.000 114.437 -76.837
- # 199 total E -1.79715E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 36.686 105.057 -79.656
- 92.547 156.632 140.358 -13.088
- 93.341 84.660 133.061-102.898
- 93.378 9.832 162.530 142.932
- 91.339 -95.056 100.309 -42.469
- 103.143 175.203 117.967 139.331
- 91.981 43.386 127.156 -2.044
- 93.938 102.143 134.440-111.380
- 91.337 -36.343 143.154-150.930
- 91.860 -56.563 0.000 0.000
- 93.909 26.726 0.000 0.000
- 127.192 173.248 116.586-115.296
- 128.930 168.707 132.785 -29.099
- 94.054 71.980 116.145 -76.306
- 96.182 97.592 0.000 0.000
- 125.016 -89.297 157.440 -5.163
- 118.878-107.042 117.428-123.563
- 117.735-140.481 111.158-112.583
- 93.183 59.040 126.730-150.242
- 93.332 0.000 114.199 -77.412
- # 200 total E -1.74884E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 48.068 110.559 -81.690
- 91.996 81.297 136.435 -11.794
- 92.428 47.197 102.078 -85.670
- 91.840 41.783 150.163 -99.926
- 91.083 43.736 122.398-112.449
- 91.807 45.380 135.842 96.141
- 91.289 50.396 135.656-121.735
- 91.620 68.958 141.888-138.757
- 93.172 37.460 148.802 -19.969
- 95.465 78.942 0.000 0.000
- 132.408 -54.806 0.000 0.000
- 92.821 66.347 101.427-104.069
- 92.868 46.705 114.077 -76.596
- 93.387 53.718 113.465 -78.946
- 94.646 66.230 0.000 0.000
- 120.047 -78.240 126.614-117.368
- 117.991-109.468 118.004-125.175
- 117.995-118.512 112.583-113.937
- 117.669-116.256 123.749-130.466
- 121.734 0.000 121.554 -80.556
+ jlee = 1 nbank = 200 nstep = 34569 339.60528
+ # 1 total E -2.01101E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.628 48.462 112.620 -83.685
+ 92.071 83.734 133.119 143.598
+ 92.111 69.963 165.759 16.093
+ 92.006 42.943 92.815 -74.667
+ 91.254 50.200 125.131 -60.957
+ 92.168 50.625 148.475 -29.858
+ 91.698 52.655 163.518-169.279
+ 92.795 76.804 103.590 -98.960
+ 93.673 -66.543 136.829 -19.035
+ 118.963-159.478 0.000 0.000
+ 95.002 59.243 0.000 0.000
+ 94.393 113.622 99.874-105.191
+ 91.922 -31.801 114.034-142.254
+ 88.388 -56.849 115.357 -75.891
+ 93.397 19.198 0.000 0.000
+ 124.742 -89.372 101.573 -56.272
+ 116.850-106.877 132.276-144.126
+ 118.162-137.604 111.447-111.900
+ 93.132 57.993 101.475-105.622
+ 93.331 0.000 115.812 -76.605
+ # 2 total E -2.06457E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.633 49.929 111.264 -81.964
+ 92.067 75.804 144.023-137.346
+ 92.498 52.432 131.982 110.055
+ 92.402 43.545 143.564 -86.157
+ 91.416 43.394 132.237 -59.936
+ 92.238 56.599 152.899 -5.333
+ 91.435 43.699 150.676-131.510
+ 92.980 70.898 94.745-102.839
+ 93.756 -94.806 139.786 -16.621
+ 94.573 154.831 0.000 0.000
+ 133.455 -50.145 0.000 0.000
+ 91.970 65.300 99.173 -95.393
+ 92.552 31.074 104.644 -74.281
+ 95.811-115.151 112.125 -81.320
+ 95.528 154.698 0.000 0.000
+ 129.958-104.618 103.676 -54.546
+ 117.219-107.138 125.899-134.774
+ 118.041-127.395 108.543-108.425
+ 117.696-115.813 125.672-134.066
+ 121.612 0.000 121.479 -79.841
+ # 3 total E -1.99562E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.445 109.508 -80.290
+ 92.301 94.302 154.972-143.583
+ 92.260 101.676 124.949 -42.789
+ 92.947 4.875 91.440 -89.522
+ 93.815 -94.752 138.494-130.278
+ 93.902 148.076 140.603 24.773
+ 93.003 72.568 134.543-100.278
+ 130.312-126.305 122.091 -91.009
+ 123.666 -79.597 107.551 -70.647
+ 94.947 61.553 0.000 0.000
+ 95.651 43.135 0.000 0.000
+ 92.450 48.630 104.325-107.806
+ 91.872 53.595 105.719 -80.065
+ 92.814 58.912 110.222-120.077
+ 94.811 68.578 0.000 0.000
+ 120.741 -90.325 93.771 -59.478
+ 117.233-107.276 126.198-134.830
+ 118.195-138.376 110.855-111.325
+ 93.103 57.968 104.602-110.683
+ 93.333 0.000 115.845 -76.544
+ # 4 total E -2.00294E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.636 47.935 112.597 -83.764
+ 92.478 155.401 142.833-173.463
+ 93.591 95.045 124.629 -43.543
+ 92.240 -0.397 81.588 -80.902
+ 91.484 -88.035 141.653-111.086
+ 103.415 171.315 84.917-123.472
+ 91.995 82.620 157.276 174.075
+ 92.743 65.387 118.575-137.863
+ 93.799 106.233 139.007 3.208
+ 130.671 -14.903 0.000 0.000
+ 125.788 -68.564 0.000 0.000
+ 112.570 -52.088 111.071-115.247
+ 89.604 75.209 112.315 -74.209
+ 90.822 2.986 110.303 -76.529
+ 102.509 -72.833 0.000 0.000
+ 128.510 -47.148 153.581 28.670
+ 121.294-150.816 109.554-109.538
+ 119.595-107.955 108.618-106.832
+ 117.701-115.836 120.510-126.576
+ 121.610 0.000 121.475 -79.880
+ # 5 total E -2.08978E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.798 109.346 -80.134
+ 92.499 159.685 161.329 162.004
+ 92.744 81.296 164.463 20.443
+ 92.667 41.079 100.400 -81.587
+ 91.558 59.358 114.426 -79.776
+ 92.848 53.822 146.211 -28.284
+ 92.678 114.616 156.756-154.162
+ 90.806 -29.715 136.789-146.788
+ 90.750 -55.433 111.043 -56.306
+ 94.249 10.792 0.000 0.000
+ 110.211 -61.075 0.000 0.000
+ 87.469 -29.354 101.870-104.918
+ 92.987 116.673 108.305 -75.766
+ 95.954 39.297 131.110 -50.427
+ 95.928 76.358 0.000 0.000
+ 120.943 -88.382 124.351 -41.688
+ 117.319-106.189 124.248-131.113
+ 117.492-139.370 114.640-116.533
+ 93.229 57.871 129.800-154.682
+ 93.333 0.000 115.853 -76.511
+ # 6 total E -2.03063E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.622 40.830 113.415 -86.579
+ 92.340 154.101 136.451-155.361
+ 93.712 96.012 124.698 -42.298
+ 92.296 -0.616 84.620 -84.754
+ 91.639 -88.749 141.639-128.895
+ 99.166 170.043 84.812-121.512
+ 92.365 64.092 154.133-179.598
+ 92.997 89.313 106.620-115.204
+ 94.046 -80.441 135.342 -23.514
+ 94.340 145.684 0.000 0.000
+ 136.520 -63.555 0.000 0.000
+ 92.387 59.578 104.579-113.541
+ 92.837 47.691 113.998 -73.277
+ 93.691 50.173 105.033 -82.937
+ 95.050 67.611 0.000 0.000
+ 123.161 -78.373 138.018-165.618
+ 118.042-108.168 115.213-120.097
+ 117.889-137.693 117.327-120.985
+ 93.136 57.769 102.181-103.219
+ 93.334 0.000 115.863 -76.686
+ # 7 total E -2.06326E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.480 109.206 -80.057
+ 92.503 161.124 163.398 163.551
+ 92.519 79.957 165.531 19.880
+ 92.299 43.229 101.286 -81.199
+ 91.332 51.314 124.645 -73.502
+ 92.332 48.696 151.031 -27.994
+ 91.606 61.003 161.620 178.888
+ 92.232 69.184 110.270-106.475
+ 93.288 141.265 138.991 -5.929
+ 130.240 -58.756 0.000 0.000
+ 123.711 -57.937 0.000 0.000
+ 92.078 54.569 131.737-158.144
+ 93.175 26.060 110.496 -75.517
+ 96.096 -95.150 122.244-116.174
+ 123.575-174.976 0.000 0.000
+ 131.653 -89.523 95.577 -62.132
+ 116.820-107.120 127.395-139.752
+ 118.176-137.973 109.445-109.175
+ 93.117 58.015 103.272-113.107
+ 93.334 0.000 115.829 -76.570
+ # 8 total E -2.08074E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.358 109.144 -80.038
+ 92.508 161.719 164.507 164.863
+ 92.417 79.059 166.129 18.660
+ 92.289 41.872 100.241 -78.259
+ 91.377 50.777 141.782-122.900
+ 92.211 45.115 141.689 -32.438
+ 92.075 56.064 165.133-167.499
+ 93.186 108.052 124.249 102.036
+ 128.409 -27.829 110.166 -68.993
+ 130.479 -24.839 0.000 0.000
+ 128.382 -59.831 0.000 0.000
+ 100.951 -28.030 129.297-150.223
+ 91.416 97.235 112.992 -74.396
+ 91.231 -17.689 113.157 -74.827
+ 100.875 -64.500 0.000 0.000
+ 124.942 -50.864 143.051 174.867
+ 118.174-114.954 129.973-141.063
+ 118.918-141.085 120.078-122.718
+ 92.935 57.369 106.168-111.293
+ 93.336 0.000 115.588 -76.868
+ # 9 total E -2.06029E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.641 49.362 109.151 -80.032
+ 92.505 161.670 164.475 164.912
+ 92.443 79.060 166.060 18.708
+ 92.226 43.581 100.772 -79.604
+ 91.299 50.092 123.909 -70.081
+ 92.315 47.095 150.980 -29.268
+ 91.593 58.514 161.399 176.710
+ 92.095 71.663 108.825-101.704
+ 93.120 113.313 151.650 -24.542
+ 126.652 -54.812 0.000 0.000
+ 124.107 -80.699 0.000 0.000
+ 92.007 42.689 131.410-157.584
+ 93.605 42.262 109.535 -74.503
+ 94.897 -79.963 112.651 -86.856
+ 125.991 -11.121 0.000 0.000
+ 129.757 -77.680 119.861 -49.480
+ 118.734-106.202 133.547-144.378
+ 117.401-139.007 116.780-119.373
+ 93.240 58.121 127.935-152.467
+ 93.332 0.000 115.627 -76.653
+ # 10 total E -2.05364E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.309 109.148 -80.035
+ 92.504 161.665 164.366 163.267
+ 92.361 78.804 166.464 18.129
+ 92.164 43.315 100.163 -77.809
+ 91.278 48.540 137.317-115.594
+ 91.991 43.070 141.758 -37.928
+ 91.385 52.995 162.402 176.336
+ 91.172 69.767 88.193 -61.266
+ 92.260 43.920 134.104 5.653
+ 94.428 49.193 0.000 0.000
+ 94.916 41.808 0.000 0.000
+ 92.182 46.303 95.166 -98.434
+ 91.889 49.429 110.365 -84.096
+ 92.979 47.949 108.761-120.268
+ 95.001 67.468 0.000 0.000
+ 122.541 -78.101 137.709-166.562
+ 118.024-109.664 115.842-120.941
+ 117.987-118.068 113.498-115.490
+ 117.765-115.827 122.121-127.775
+ 121.615 0.000 121.478 -79.862
+ # 11 total E -2.06632E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.277 109.266 -80.098
+ 92.496 160.951 162.234 162.981
+ 92.634 79.107 165.127 17.873
+ 92.504 42.757 100.399 -81.139
+ 91.590 51.217 135.672-125.986
+ 92.453 52.700 135.970 22.089
+ 91.663 75.949 165.124 175.865
+ 92.423 1.432 86.338 -92.514
+ 116.741-146.819 145.648 -13.281
+ 131.277 -59.975 0.000 0.000
+ 129.240 -56.251 0.000 0.000
+ 109.427 -33.945 123.649-135.747
+ 91.127 93.411 113.241 -74.434
+ 91.524 -17.958 102.382 -78.347
+ 107.070 -47.188 0.000 0.000
+ 132.098 -58.727 98.843-110.934
+ 118.901-108.504 118.105-125.453
+ 118.096-140.219 117.913-120.669
+ 93.017 57.670 107.360-112.701
+ 93.333 0.000 115.594 -76.780
+ # 12 total E -2.05754E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.657 122.742 109.054 -81.247
+ 119.302-116.936 145.783 -30.943
+ 92.457 56.014 130.527 111.452
+ 92.104 45.773 143.715 -89.204
+ 91.432 42.099 131.437 -55.525
+ 92.344 56.701 152.417 -3.454
+ 91.457 42.604 148.396-135.970
+ 93.030 74.335 93.693-101.613
+ 93.823 -90.967 135.829 -17.598
+ 94.537 157.137 0.000 0.000
+ 134.122 -58.254 0.000 0.000
+ 92.186 56.613 132.648-159.038
+ 93.148 26.661 105.934 -72.675
+ 96.484 -93.553 116.645 -83.912
+ 123.181-174.662 0.000 0.000
+ 131.171 -82.590 113.276 -63.380
+ 117.227-106.289 118.165-124.811
+ 117.707-137.473 113.574-115.374
+ 93.271 58.091 126.264-149.269
+ 93.332 0.000 115.852 -76.496
+ # 13 total E -2.03340E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.658 122.900 108.975 -81.129
+ 118.853-118.994 149.077 -31.497
+ 92.540 56.353 135.840 107.788
+ 92.165 45.151 138.213 -84.342
+ 91.401 44.263 131.054 -53.329
+ 92.331 51.751 154.576 -14.300
+ 91.483 64.065 149.310-141.436
+ 92.075 67.795 110.839-113.924
+ 93.513 118.962 144.529 18.437
+ 128.437 -76.050 0.000 0.000
+ 124.909 -50.551 0.000 0.000
+ 91.771 56.928 100.242 -98.633
+ 92.721 18.737 108.843 -74.561
+ 108.481 -85.991 131.755-110.208
+ 126.906 -14.917 0.000 0.000
+ 134.070 -84.789 95.383 95.406
+ 118.645-107.566 125.056-134.259
+ 117.883-137.412 113.780-115.406
+ 93.142 57.260 102.466-107.668
+ 93.334 0.000 116.101 -76.777
+ # 14 total E -2.04872E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.207 109.184 -80.045
+ 92.505 161.424 163.927 164.459
+ 92.487 79.316 165.786 19.094
+ 92.267 43.535 100.818 -80.244
+ 91.339 50.647 124.936 -70.912
+ 92.353 48.968 151.116 -26.848
+ 91.673 58.140 161.534 175.924
+ 92.039 76.403 107.909-103.994
+ 93.418 124.719 129.934 26.820
+ 94.303 53.936 0.000 0.000
+ 123.710 -71.678 0.000 0.000
+ 116.423 -84.323 122.026-129.584
+ 93.130 66.033 113.174 -74.371
+ 94.513 43.558 113.956 -76.876
+ 95.767 82.922 0.000 0.000
+ 128.271 -85.026 123.596 135.194
+ 117.957-107.675 116.543-125.556
+ 117.948-137.978 116.379-119.181
+ 93.124 57.987 102.162-104.196
+ 93.334 0.000 115.867 -76.648
+ # 15 total E -1.98891E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 48.249 108.840 -80.064
+ 92.550 165.004 176.423-163.180
+ 92.062 76.817 169.730 14.070
+ 92.176 44.604 102.409 -66.612
+ 91.339 47.810 123.653 -58.267
+ 92.325 47.792 149.265 -36.052
+ 91.649 61.626 159.190-177.024
+ 92.266 95.577 110.547 -96.903
+ 93.231 6.289 143.325 -19.005
+ 120.421-166.540 0.000 0.000
+ 136.190 -71.926 0.000 0.000
+ 117.558 -74.410 121.036-127.988
+ 93.052 75.142 112.887 -74.479
+ 114.289 -82.155 117.913 -79.481
+ 122.198-168.084 0.000 0.000
+ 128.971 -79.273 98.048 -67.718
+ 116.228-107.411 93.185 -82.756
+ 117.704-140.178 115.037-117.733
+ 93.210 57.543 125.864-149.906
+ 93.335 0.000 115.894 -76.578
+ # 16 total E -1.99702E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.643 98.666 110.736 -77.924
+ 92.440 118.306 138.378 -14.999
+ 93.960 51.820 102.996 -76.414
+ 121.170-133.504 171.687-176.972
+ 91.312 57.542 123.064-108.478
+ 92.242 59.694 137.087 -42.323
+ 91.762 52.084 126.306 -78.888
+ 92.474 97.732 96.034 -82.466
+ 93.411 33.058 138.036 0.475
+ 95.751 66.317 0.000 0.000
+ 131.856 -66.591 0.000 0.000
+ 92.894 69.641 100.811-104.350
+ 93.459 1.733 137.629-104.318
+ 120.036-165.199 109.943-129.774
+ 94.959 82.313 0.000 0.000
+ 130.213 -92.039 96.195 -59.860
+ 117.365-106.943 125.669-133.551
+ 118.070-137.568 110.542-111.379
+ 93.132 56.570 102.878-111.320
+ 93.337 0.000 116.304 -76.931
+ # 17 total E -1.99567E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.097 109.178 -80.039
+ 92.503 161.365 164.039 164.532
+ 92.478 79.374 165.867 18.919
+ 92.249 43.655 100.815 -80.083
+ 91.319 50.310 124.001 -71.272
+ 92.299 48.281 150.887 -28.183
+ 91.568 56.789 161.338 175.398
+ 91.801 71.752 107.263-102.142
+ 93.059 66.345 139.357 -12.309
+ 94.915 65.062 0.000 0.000
+ 129.061 -64.968 0.000 0.000
+ 117.769-131.965 129.844-138.957
+ 125.139-122.386 128.430 -26.133
+ 93.756 57.236 114.695 -74.908
+ 95.198 76.366 0.000 0.000
+ 124.909 -81.959 87.181 -64.949
+ 116.560-106.089 125.283-134.169
+ 118.148-139.469 110.505-110.930
+ 93.080 57.668 105.252-112.513
+ 93.333 0.000 115.857 -76.576
+ # 18 total E -2.05086E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 47.962 109.578 -81.032
+ 92.625 170.646 148.206 -8.805
+ 92.851 75.586 150.305 97.292
+ 92.420 43.364 138.664 -82.555
+ 91.429 45.923 128.864 -44.803
+ 92.382 54.114 154.069 -7.051
+ 91.317 54.193 150.352-140.288
+ 92.001 64.904 103.000-108.422
+ 93.282 157.417 132.489 -1.119
+ 94.234 123.933 0.000 0.000
+ 133.009 -61.213 0.000 0.000
+ 111.502 -37.263 125.106-137.011
+ 91.526 90.952 113.238 -74.435
+ 91.947 -17.726 103.830 -77.971
+ 111.473 -30.521 0.000 0.000
+ 133.251 -78.855 101.067 -61.040
+ 117.782-112.897 123.341-129.366
+ 118.000-116.523 115.802-117.601
+ 117.598-115.817 126.764-134.774
+ 121.612 0.000 121.484 -79.832
+ # 19 total E -1.99816E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 48.092 109.584 -81.054
+ 92.629 170.989 147.926 -8.460
+ 92.812 75.101 150.677 96.841
+ 92.472 43.188 139.953 -83.487
+ 91.493 45.340 129.603 -43.979
+ 92.345 55.717 153.440 -9.166
+ 91.501 44.239 150.919-135.002
+ 92.925 72.975 95.697-102.516
+ 93.853 -92.479 135.957 -19.078
+ 94.664 157.842 0.000 0.000
+ 136.313 -54.896 0.000 0.000
+ 92.790 60.128 99.397 -97.449
+ 93.446 63.623 109.815 -76.256
+ 93.870 129.136 110.037-115.719
+ 135.432 -90.079 0.000 0.000
+ 127.743 -91.379 95.466 -60.119
+ 117.031-107.339 125.676-134.358
+ 118.174-137.530 110.495-110.864
+ 93.128 58.033 102.976-111.184
+ 93.333 0.000 115.850 -76.569
+ # 20 total E -2.03163E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.289 109.128 -80.028
+ 92.504 161.648 164.817 164.080
+ 92.358 78.555 166.573 17.362
+ 92.211 43.252 100.215 -77.702
+ 91.294 49.011 140.414-120.599
+ 92.023 43.054 141.158 -42.045
+ 91.461 55.112 162.085 178.939
+ 91.368 77.205 88.489 -59.930
+ 92.420 51.260 134.413 4.625
+ 94.314 52.768 0.000 0.000
+ 94.502 67.768 0.000 0.000
+ 114.019 -34.405 115.904-123.426
+ 91.981 79.860 111.895 -75.082
+ 91.878 -7.677 121.542-121.767
+ 113.560 -39.440 0.000 0.000
+ 134.673 -80.339 66.167 -74.261
+ 117.447-110.210 116.224-121.054
+ 117.477-136.377 135.171-147.684
+ 93.166 58.110 101.313 -99.757
+ 93.334 0.000 115.865 -76.614
+ # 21 total E -2.02176E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 48.027 109.553 -81.021
+ 92.614 170.119 148.682 -9.028
+ 92.854 75.927 151.865 97.029
+ 92.428 44.412 137.778 -81.543
+ 91.432 44.857 128.122 -44.661
+ 92.374 50.550 153.100 -14.426
+ 91.510 50.386 149.641-138.666
+ 92.608 68.649 101.749-100.956
+ 93.614 -79.778 137.806 -20.438
+ 121.213 -66.350 0.000 0.000
+ 131.107 -52.633 0.000 0.000
+ 92.460 64.699 103.381-112.079
+ 93.188 52.603 107.900 -75.174
+ 93.868 44.920 109.713 -79.417
+ 95.270 67.767 0.000 0.000
+ 124.323 -76.767 135.872-169.194
+ 118.000-108.192 114.908-119.286
+ 117.912-137.743 117.405-121.146
+ 93.131 57.812 102.105-103.378
+ 93.333 0.000 115.867 -76.654
+ # 22 total E -2.04347E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.760 109.230 -80.070
+ 92.503 161.263 162.873 162.672
+ 92.540 79.860 165.298 20.604
+ 92.308 42.999 101.803 -82.531
+ 91.327 51.383 125.117 -74.847
+ 92.306 49.609 152.423 -21.182
+ 91.600 58.856 162.125 175.975
+ 92.228 68.531 108.344-106.867
+ 93.440 154.379 130.829 9.175
+ 94.177 124.736 0.000 0.000
+ 133.763 -61.511 0.000 0.000
+ 116.456 -48.101 112.367-115.557
+ 91.142 83.101 113.074 -74.439
+ 91.694 -9.256 107.798 -75.278
+ 111.937 -35.603 0.000 0.000
+ 132.876 -73.230 109.781-127.546
+ 120.893-162.734 120.018-127.431
+ 93.145 113.950 105.974 -98.708
+ 93.168 29.098 99.413-105.365
+ 93.345 0.000 115.745 -76.640
+ # 23 total E -2.01269E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.396 109.169 -80.045
+ 92.509 161.720 163.978 162.457
+ 92.419 79.209 166.147 18.663
+ 92.236 43.579 100.491 -78.466
+ 91.340 49.642 136.228-117.849
+ 92.192 45.640 141.986 -37.621
+ 91.702 61.017 161.920 178.075
+ 91.942 87.208 95.313 -71.252
+ 92.978 131.575 129.199 20.737
+ 94.152 66.970 0.000 0.000
+ 124.615 -81.186 0.000 0.000
+ 117.853 -91.145 121.518-128.167
+ 93.513 86.590 113.473 -74.583
+ 94.311 1.813 113.798 -76.836
+ 129.446-135.221 0.000 0.000
+ 125.507-101.265 106.261 -51.292
+ 116.669-105.984 120.582-128.165
+ 117.213-141.597 112.419-113.754
+ 93.248 57.492 130.509-157.683
+ 93.331 0.000 115.927 -76.440
+ # 24 total E -2.01549E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 47.045 108.117 -79.524
+ 92.740 158.335 144.341-109.481
+ 132.011 -95.958 105.640 -99.382
+ 93.787 43.749 166.216-175.892
+ 91.565 43.874 133.243 -74.072
+ 92.429 54.022 154.417 -14.721
+ 91.308 57.337 137.103-118.563
+ 92.239 65.510 106.139-109.388
+ 93.698 136.524 134.617 -3.383
+ 130.189 -69.849 0.000 0.000
+ 128.176 -47.534 0.000 0.000
+ 106.994 -28.877 128.693-145.444
+ 91.538 98.406 113.239 -74.445
+ 91.665 -20.946 105.247 -76.843
+ 107.040 -45.767 0.000 0.000
+ 128.855 -64.729 101.828 -62.129
+ 118.456-112.723 126.545-133.203
+ 117.763-128.623 114.467-116.956
+ 117.349-115.797 132.905-145.396
+ 121.602 0.000 121.489 -79.780
+ # 25 total E -2.03720E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.396 109.167 -80.061
+ 92.556 164.536 164.325 143.558
+ 92.363 82.825 165.494 24.900
+ 92.376 42.550 108.722 -82.759
+ 91.365 55.288 127.292 -83.979
+ 92.600 52.947 150.887 -32.615
+ 91.513 79.359 158.233-172.138
+ 92.229 112.411 122.143-126.088
+ 93.456 -50.049 101.650 -71.244
+ 94.947 83.178 0.000 0.000
+ 132.061 -74.875 0.000 0.000
+ 126.544 106.227 119.243-120.020
+ 93.557 71.715 109.034 -80.794
+ 94.054 56.362 125.532-145.780
+ 95.187 67.391 0.000 0.000
+ 121.927 -87.863 91.346 -61.038
+ 116.874-107.081 126.370-135.289
+ 117.990-140.722 110.812-111.328
+ 93.224 46.270 100.276-106.858
+ 93.374 0.000 119.782 -79.893
+ # 26 total E -2.01331E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.631 49.536 111.643 -82.293
+ 92.491 89.459 138.176 142.079
+ 94.218 109.636 164.977 6.396
+ 123.391-106.183 118.828 -96.060
+ 91.857 63.620 131.060-138.502
+ 92.653 93.268 110.342-104.859
+ 91.784 55.134 123.508 -82.209
+ 93.574 160.795 90.798 109.198
+ 116.165 -62.144 145.739 -19.634
+ 125.898 -18.170 0.000 0.000
+ 125.318 -68.682 0.000 0.000
+ 113.702 -54.016 127.088-139.935
+ 89.563 73.344 112.656 -74.331
+ 90.518 3.981 110.988 -76.287
+ 104.735 -69.492 0.000 0.000
+ 125.900 -50.950 107.312-121.304
+ 122.974 135.158 114.752-119.528
+ 92.846 119.631 105.640 -65.985
+ 92.674 43.224 101.494-114.747
+ 93.287 0.000 105.040 -77.747
+ # 27 total E -2.10700E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.349 109.189 -80.048
+ 92.505 161.410 163.609 161.432
+ 92.407 79.305 166.365 17.945
+ 92.237 43.528 100.099 -78.030
+ 91.333 49.041 131.865-106.695
+ 92.146 44.654 142.188 -39.295
+ 91.566 58.746 162.171 177.359
+ 91.603 84.213 96.415 -70.610
+ 93.162 38.282 138.027 -6.639
+ 95.206 72.370 0.000 0.000
+ 131.575 -58.822 0.000 0.000
+ 92.844 67.100 101.839-109.654
+ 93.177 41.204 105.824 -74.408
+ 93.856 53.706 109.640 -83.826
+ 94.781 65.974 0.000 0.000
+ 122.440 -76.876 139.180-168.005
+ 117.995-107.979 115.455-120.569
+ 117.915-137.701 117.263-120.848
+ 93.133 57.828 101.934-103.363
+ 93.334 0.000 115.858 -76.659
+ # 28 total E -2.02960E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.847 109.009 -81.185
+ 119.300-117.472 147.491 -31.158
+ 92.482 56.449 132.900 109.410
+ 92.070 45.117 140.512 -86.362
+ 91.365 43.291 130.532 -55.120
+ 92.338 53.911 154.130 -4.557
+ 91.286 54.825 149.279-140.247
+ 92.009 64.442 103.263-108.339
+ 93.283 159.833 132.167 2.593
+ 94.066 121.719 0.000 0.000
+ 132.899 -60.853 0.000 0.000
+ 112.947 -40.076 114.319-120.061
+ 91.366 89.035 113.127 -74.462
+ 91.821 -16.659 103.725 -74.960
+ 111.045 -32.165 0.000 0.000
+ 133.562 -73.712 112.844 -65.537
+ 119.887-161.794 120.224-126.565
+ 93.159 113.795 104.655 -98.071
+ 93.182 28.319 99.216-104.752
+ 93.348 0.000 116.211 -76.739
+ # 29 total E -2.05817E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.660 122.786 108.909 -81.139
+ 118.795-121.127 151.987 -30.818
+ 92.714 58.451 139.402 104.988
+ 92.391 45.839 134.951 -79.840
+ 91.538 46.871 122.126 -55.054
+ 93.312 51.677 152.331 -17.852
+ 92.917 112.858 147.267-143.330
+ 91.015 -29.759 135.459-150.610
+ 90.830 -55.917 105.392 -59.350
+ 93.888 11.316 0.000 0.000
+ 110.624 -62.675 0.000 0.000
+ 87.877 -28.858 100.137-101.542
+ 92.923 116.666 112.764 -76.645
+ 95.934 40.719 127.988-147.704
+ 95.698 73.910 0.000 0.000
+ 120.302 -78.283 126.101 142.234
+ 117.848-107.800 117.682-125.215
+ 117.986-137.941 116.278-119.078
+ 93.124 57.830 102.205-104.567
+ 93.335 0.000 115.844 -76.665
+ # 30 total E -2.02340E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 47.962 109.555 -81.025
+ 92.601 169.836 148.167 -11.071
+ 92.765 73.118 152.277 96.443
+ 92.305 44.684 135.066 -77.904
+ 91.464 42.883 126.047 -36.152
+ 92.442 48.112 153.360 -25.337
+ 91.639 45.928 153.700-141.876
+ 92.872 80.661 99.367 -90.737
+ 93.661 -90.517 143.618 -10.592
+ 94.592 136.114 0.000 0.000
+ 129.864 -37.491 0.000 0.000
+ 92.934 84.640 103.112-107.267
+ 127.820 -71.883 118.858 -83.481
+ 129.619 -64.737 121.982 -81.693
+ 95.520 168.647 0.000 0.000
+ 129.731 -79.548 77.138 -68.328
+ 116.901-103.618 125.058-133.914
+ 118.382-141.014 108.642-108.310
+ 93.007 57.354 105.666-125.101
+ 93.333 0.000 115.553 -76.652
+ # 31 total E -1.99921E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.685 109.403 -80.169
+ 92.500 159.742 160.965 161.436
+ 92.775 81.682 164.797 18.201
+ 92.722 43.053 100.091 -81.140
+ 91.798 54.882 128.159-104.337
+ 93.089 67.199 142.716 -35.581
+ 92.466 76.822 160.531 161.169
+ 120.021-105.788 116.573-104.603
+ 121.434 -81.818 109.501 -68.471
+ 94.925 57.669 0.000 0.000
+ 95.908 41.149 0.000 0.000
+ 92.802 47.512 105.084-101.586
+ 92.044 48.371 106.715 -84.079
+ 92.965 58.409 108.292 -83.855
+ 94.912 69.078 0.000 0.000
+ 121.036 -90.546 92.890 -60.747
+ 117.358-108.207 125.582-134.256
+ 118.011-127.883 108.764-108.573
+ 117.690-115.775 126.867-135.395
+ 121.609 0.000 121.446 -79.844
+ # 32 total E -2.01281E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.386 109.213 -80.061
+ 92.504 161.236 163.147 161.655
+ 92.455 79.805 165.901 19.290
+ 92.253 43.276 100.630 -79.345
+ 91.330 49.936 133.201-112.977
+ 92.135 45.263 142.417 -33.369
+ 91.664 60.197 162.345 179.221
+ 91.913 77.982 92.862 -70.717
+ 93.010 130.051 135.252 23.139
+ 94.620 130.524 0.000 0.000
+ 129.636 -30.086 0.000 0.000
+ 116.418 -71.434 116.589-125.359
+ 93.559 71.265 112.791 -74.477
+ 119.353 -98.519 120.990 -80.844
+ 94.985 159.221 0.000 0.000
+ 129.168-101.155 102.792 -56.272
+ 117.282-107.431 116.692-119.363
+ 117.809-137.006 131.692-142.242
+ 93.128 58.707 103.689-110.635
+ 93.332 0.000 115.506 -76.603
+ # 33 total E -2.06284E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 48.071 109.620 -81.079
+ 92.636 170.831 147.089 -8.108
+ 92.844 75.938 149.121 98.520
+ 92.466 44.120 141.761 -85.308
+ 91.499 44.557 129.905 -45.845
+ 92.403 56.880 152.459 -6.413
+ 91.498 42.866 149.663-135.508
+ 93.034 74.667 94.068-102.304
+ 93.796 -90.287 135.756 -18.118
+ 94.539 157.410 0.000 0.000
+ 134.220 -58.279 0.000 0.000
+ 92.185 56.548 132.008-158.134
+ 93.146 26.711 105.910 -73.196
+ 96.444 -93.570 116.575 -83.878
+ 123.046-174.850 0.000 0.000
+ 131.306 -82.578 113.820 -63.526
+ 117.195-106.124 117.982-124.628
+ 117.665-137.536 113.613-115.470
+ 93.276 58.170 126.238-149.346
+ 93.333 0.000 115.853 -76.496
+ # 34 total E -2.08420E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.787 109.011 -81.190
+ 119.274-117.434 147.360 -31.198
+ 92.481 56.499 132.723 109.508
+ 92.068 45.181 140.743 -86.551
+ 91.367 43.235 130.508 -54.938
+ 92.338 54.064 154.137 -4.214
+ 91.285 54.259 149.141-140.001
+ 91.992 64.646 102.803-108.062
+ 93.254 157.031 132.313 0.776
+ 94.154 123.885 0.000 0.000
+ 132.572 -60.961 0.000 0.000
+ 111.771 -38.313 123.040-133.673
+ 91.485 90.647 113.217 -74.445
+ 91.933 -17.777 103.702 -76.765
+ 111.449 -30.288 0.000 0.000
+ 133.879 -77.494 107.080 -61.958
+ 118.120-109.955 119.208-123.415
+ 117.832-137.041 118.788-122.286
+ 93.208 58.409 128.422-151.182
+ 93.332 0.000 115.722 -76.542
+ # 35 total E -2.02360E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.641 49.381 109.177 -80.044
+ 92.506 161.385 163.878 164.019
+ 92.478 79.849 165.851 19.383
+ 92.282 43.075 101.392 -80.881
+ 91.314 50.850 123.522 -72.901
+ 92.240 47.803 151.290 -27.355
+ 91.538 58.486 161.764 177.903
+ 92.135 64.820 108.771-103.601
+ 93.453 66.055 139.118 -3.008
+ 127.108 10.138 0.000 0.000
+ 131.429 -26.260 0.000 0.000
+ 92.334 71.309 103.127-111.406
+ 92.094 53.929 109.501 -75.648
+ 93.137 45.306 121.873-124.237
+ 94.209 57.619 0.000 0.000
+ 112.329 -58.359 131.665-149.655
+ 117.775-105.194 115.200-120.150
+ 118.281-135.869 117.224-120.785
+ 93.129 58.096 96.414 -99.094
+ 93.334 0.000 115.499 -77.019
+ # 36 total E -2.03713E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.642 39.468 147.137 -35.857
+ 92.286 108.506 145.400 172.350
+ 94.826 47.649 140.645 101.400
+ 118.930-127.811 133.287 -61.882
+ 91.285 69.207 122.840-101.661
+ 92.633 61.356 151.524 -23.275
+ 91.528 57.383 137.963 -99.085
+ 92.458 68.729 103.412-121.424
+ 93.712 139.756 136.373 -7.180
+ 130.087 -66.790 0.000 0.000
+ 128.359 -46.504 0.000 0.000
+ 107.180 -28.900 127.490-143.263
+ 91.510 98.481 113.231 -74.463
+ 91.639 -21.083 105.060 -76.831
+ 107.199 -45.857 0.000 0.000
+ 128.760 -63.442 104.877 -61.886
+ 118.507-110.564 125.098-130.698
+ 117.630-138.100 117.058-120.366
+ 93.189 58.272 128.184-152.163
+ 93.331 0.000 115.497 -76.732
+ # 37 total E -2.02996E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.624 40.801 112.425 -85.656
+ 92.421 155.216 139.556-165.060
+ 93.751 95.734 124.856 -42.854
+ 92.237 -0.314 84.607 -83.877
+ 91.540 -88.378 141.103-122.092
+ 100.834 170.889 84.773-122.276
+ 92.292 64.585 155.370-177.868
+ 93.169 81.013 107.627-118.606
+ 94.278 -89.440 135.981 -24.860
+ 94.146 153.687 0.000 0.000
+ 135.274 -54.145 0.000 0.000
+ 91.739 64.271 103.182-108.267
+ 92.360 32.660 109.168 -75.197
+ 95.289-115.305 110.484 -82.121
+ 95.538 152.683 0.000 0.000
+ 130.356-104.149 103.681 -54.147
+ 116.898-106.279 126.145-135.008
+ 118.124-139.157 110.539-111.025
+ 93.086 57.833 106.161-115.196
+ 93.335 0.000 115.823 -76.581
+ # 38 total E -2.05557E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.444 109.181 -80.049
+ 92.504 161.532 163.692 161.914
+ 92.400 79.300 166.340 18.265
+ 92.211 43.407 100.190 -78.164
+ 91.315 48.907 132.696-108.891
+ 92.101 44.308 142.174 -37.180
+ 91.543 57.077 162.411 176.702
+ 91.512 80.393 93.481 -68.312
+ 93.046 38.515 138.392 -7.636
+ 95.125 66.150 0.000 0.000
+ 129.092 -47.053 0.000 0.000
+ 92.395 69.517 99.954-103.836
+ 92.460 25.661 104.668 -73.976
+ 95.445-114.049 111.153 -82.256
+ 95.951 155.939 0.000 0.000
+ 128.762-105.193 103.748 -53.660
+ 117.452-108.419 126.194-134.902
+ 118.068-119.478 109.067-108.985
+ 117.725-115.816 125.086-133.095
+ 121.613 0.000 121.480 -79.843
+ # 39 total E -1.98929E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.626 40.287 112.416 -85.617
+ 92.421 155.162 139.573-165.247
+ 93.749 95.723 124.851 -42.859
+ 92.232 -0.322 84.563 -83.847
+ 91.539 -88.379 141.103-121.948
+ 100.850 170.934 84.783-122.213
+ 92.289 64.693 155.505-177.992
+ 93.170 80.890 107.669-118.732
+ 94.303 -89.599 135.114 -23.864
+ 94.153 154.335 0.000 0.000
+ 135.272 -54.478 0.000 0.000
+ 91.735 64.131 103.091-108.093
+ 92.369 32.636 108.992 -75.227
+ 95.417-115.545 110.608 -82.067
+ 95.560 153.293 0.000 0.000
+ 130.366-104.206 103.123 -54.718
+ 117.061-107.087 126.052-134.977
+ 118.050-125.283 109.076-109.081
+ 117.709-115.801 125.395-133.193
+ 121.614 0.000 121.477 -79.842
+ # 40 total E -1.99437E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 47.451 109.324 -80.845
+ 92.274 96.779 152.833-139.782
+ 92.276 101.055 125.055 -42.598
+ 93.515 6.770 90.199 -88.888
+ 93.574 -95.280 138.789-129.485
+ 93.505 146.129 136.029 58.017
+ 92.246 67.704 133.476 -97.737
+ 92.559 93.714 123.787 -96.435
+ 93.611 36.198 137.810 -9.308
+ 95.560 69.667 0.000 0.000
+ 130.792 -53.378 0.000 0.000
+ 92.259 68.698 99.699-103.211
+ 92.469 28.194 105.843 -76.443
+ 95.433-113.802 109.890 -82.597
+ 96.095 156.248 0.000 0.000
+ 128.760-103.358 103.387 -53.515
+ 117.319-107.062 126.587-135.251
+ 118.196-137.614 110.924-111.440
+ 93.130 58.008 102.904-110.475
+ 93.332 0.000 115.826 -76.606
+ # 41 total E -2.04319E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.636 48.241 109.388 -80.529
+ 92.597 83.260 159.138 174.623
+ 93.770 111.986 125.503 -39.999
+ 125.534 -92.896 95.089 -92.475
+ 91.250 66.480 119.742 -97.464
+ 92.093 64.166 152.478 -10.272
+ 91.446 47.867 138.859 -54.871
+ 92.883 68.000 95.704-113.509
+ 93.966 -97.591 139.685 -18.986
+ 94.646 157.658 0.000 0.000
+ 135.030 -53.974 0.000 0.000
+ 92.192 63.791 99.537 -91.359
+ 92.538 33.460 112.275 -77.428
+ 95.498-115.452 110.672 -82.409
+ 95.561 154.091 0.000 0.000
+ 130.052-104.207 103.674 -54.315
+ 117.052-106.554 125.982-134.786
+ 118.116-139.094 110.040-110.403
+ 93.089 57.758 105.774-115.652
+ 93.332 0.000 115.833 -76.592
+ # 42 total E -2.03478E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.570 109.326 -80.117
+ 92.494 160.467 161.550 161.870
+ 92.721 79.490 164.471 19.288
+ 92.616 41.630 100.952 -82.652
+ 91.650 54.471 135.957-130.411
+ 92.554 58.425 138.314 33.629
+ 91.818 88.137 164.389 177.269
+ 92.546 -18.138 95.342-105.608
+ 118.352-151.404 141.262 -13.691
+ 94.111 111.065 0.000 0.000
+ 131.539 -53.371 0.000 0.000
+ 127.152 107.103 116.234-115.621
+ 92.263 -32.980 124.888 -14.480
+ 90.610 -48.115 115.497 -76.301
+ 93.838 72.958 0.000 0.000
+ 129.550-112.684 117.202 -47.469
+ 116.155-106.560 93.410 -88.310
+ 117.585-138.497 114.316-117.476
+ 93.278 58.060 126.822-150.571
+ 93.330 0.000 115.834 -76.488
+ # 43 total E -2.10335E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.810 108.997 -81.147
+ 119.021-117.782 147.348 -32.088
+ 92.468 55.524 133.537 108.729
+ 92.151 44.437 141.224 -86.900
+ 91.444 42.882 131.291 -54.078
+ 92.287 55.504 153.626 -5.706
+ 91.444 43.616 150.718-134.886
+ 92.981 70.094 95.051-101.575
+ 93.827 -95.017 140.993 -15.538
+ 94.560 154.579 0.000 0.000
+ 133.455 -49.247 0.000 0.000
+ 91.988 65.404 99.172 -95.511
+ 92.567 30.932 104.037 -73.364
+ 95.773-114.903 112.020 -81.329
+ 95.495 154.560 0.000 0.000
+ 129.957-104.569 104.183 -54.006
+ 117.127-106.576 125.981-134.758
+ 118.105-138.954 109.952-110.311
+ 93.097 57.749 105.191-114.710
+ 93.332 0.000 115.837 -76.584
+ # 44 total E -2.04623E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.628 45.450 112.338 -84.122
+ 92.497 156.080 142.765-173.810
+ 93.602 95.037 124.600 -43.546
+ 92.254 -0.380 81.514 -80.881
+ 91.473 -87.872 141.648-111.028
+ 103.371 171.585 84.951-123.399
+ 92.006 81.192 157.593 172.601
+ 92.679 69.366 117.674-136.765
+ 94.088 140.619 136.345 -8.550
+ 130.162 -66.507 0.000 0.000
+ 128.388 -46.518 0.000 0.000
+ 107.191 -28.899 127.433-143.175
+ 91.502 98.353 113.233 -74.466
+ 91.644 -21.066 105.038 -76.811
+ 107.262 -45.811 0.000 0.000
+ 128.692 -63.532 105.120 -61.627
+ 118.469-110.615 125.429-131.203
+ 117.640-137.971 116.940-120.157
+ 93.197 58.363 128.250-152.290
+ 93.334 0.000 115.501 -76.726
+ # 45 total E -2.04056E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.770 108.914 -81.134
+ 118.707-121.204 151.959 -30.786
+ 92.711 58.450 139.335 104.934
+ 92.387 45.759 134.915 -79.749
+ 91.524 47.111 122.584 -54.591
+ 93.290 50.599 152.618 -17.399
+ 92.898 112.029 146.610-141.974
+ 91.236 -27.566 135.672-149.884
+ 90.549 -58.392 132.118 -43.044
+ 93.379 12.200 0.000 0.000
+ 109.231 -58.800 0.000 0.000
+ 86.631 -28.124 99.704-101.361
+ 93.066 123.473 112.415 -74.110
+ 94.909 13.719 130.959 -44.396
+ 128.857-133.362 0.000 0.000
+ 128.099 -88.860 123.009 -48.583
+ 117.538-107.526 126.190-136.406
+ 117.910-137.579 113.586-114.554
+ 93.247 58.210 128.809-152.448
+ 93.333 0.000 115.845 -76.484
+ # 46 total E -2.05129E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.635 49.968 111.255 -81.966
+ 92.071 75.792 144.052-137.350
+ 92.501 52.681 131.710 110.087
+ 92.415 43.432 144.067 -86.568
+ 91.439 43.547 132.363 -60.840
+ 92.287 57.565 152.916 -3.784
+ 91.451 43.106 150.504-131.154
+ 92.982 72.795 93.879-103.362
+ 93.892 -93.141 136.361 -17.372
+ 94.651 155.710 0.000 0.000
+ 135.670 -53.586 0.000 0.000
+ 92.390 61.618 100.442 -99.879
+ 92.747 48.132 105.590 -74.082
+ 93.611 50.345 105.769 -81.386
+ 95.013 67.299 0.000 0.000
+ 123.031 -77.763 138.115-164.724
+ 118.022-109.703 116.053-121.440
+ 117.969-118.210 113.490-115.449
+ 117.770-115.825 121.897-127.442
+ 121.613 0.000 121.477 -79.863
+ # 47 total E -2.01197E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.709 109.432 -80.185
+ 92.495 159.287 160.161 161.203
+ 92.837 82.059 164.046 20.629
+ 92.794 40.714 100.724 -82.919
+ 91.672 59.623 113.978 -87.331
+ 92.892 58.220 144.057 -26.452
+ 92.578 113.390 158.523-159.682
+ 90.858 -30.228 133.713-142.173
+ 91.284 -57.313 80.694 -82.805
+ 92.822 13.326 0.000 0.000
+ 116.630 -73.285 0.000 0.000
+ 94.141 40.565 82.568 -70.153
+ 121.440 -66.952 134.256 11.616
+ 92.992 -21.532 115.653 -75.614
+ 95.740 112.062 0.000 0.000
+ 134.675-142.749 126.897 -28.195
+ 117.782-105.410 125.019-133.135
+ 118.127-125.702 108.584-108.374
+ 117.853-115.818 124.177-132.340
+ 121.613 0.000 121.479 -79.848
+ # 48 total E -2.01279E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.548 109.227 -80.068
+ 92.501 161.122 163.008 163.245
+ 92.543 80.169 165.298 20.581
+ 92.304 43.156 101.636 -82.119
+ 91.335 51.373 124.624 -73.978
+ 92.338 49.195 151.009 -26.555
+ 91.641 59.487 161.968 177.731
+ 92.285 67.231 108.843-106.467
+ 93.532 142.727 138.097 -11.319
+ 134.293 -77.167 0.000 0.000
+ 132.706 -41.078 0.000 0.000
+ 92.597 63.606 102.656-110.747
+ 92.883 49.706 107.283 -75.064
+ 93.668 49.603 110.023 -80.387
+ 95.012 67.359 0.000 0.000
+ 122.781 -77.304 137.479-163.437
+ 118.023-108.158 115.074-119.881
+ 117.898-137.664 117.404-121.095
+ 93.133 57.878 102.060-103.198
+ 93.335 0.000 115.846 -76.661
+ # 49 total E -2.00565E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.641 49.808 109.443 -80.180
+ 92.491 159.950 160.075 161.372
+ 92.821 81.527 163.365 23.952
+ 92.633 40.743 101.743 -85.018
+ 91.626 56.586 128.064 -93.754
+ 93.161 58.176 151.789 -17.393
+ 92.278 79.524 163.970-162.582
+ 118.959 -69.562 125.467-128.354
+ 95.595 172.386 144.698 -7.913
+ 132.553 -46.394 0.000 0.000
+ 126.276 -56.750 0.000 0.000
+ 115.376 -48.119 117.899-123.943
+ 90.500 82.206 112.890 -74.491
+ 91.157 -5.880 109.623 -76.653
+ 106.282 -57.468 0.000 0.000
+ 133.159 -53.258 137.215-158.004
+ 119.807-111.879 114.940-119.969
+ 118.700-137.870 121.474-125.537
+ 93.065 57.973 101.262-100.196
+ 93.334 0.000 115.653 -76.767
+ # 50 total E -2.04996E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.710 108.978 -81.138
+ 118.764-118.454 148.615 -31.836
+ 92.524 55.683 135.354 108.105
+ 92.112 45.549 137.867 -83.302
+ 91.384 43.546 129.652 -50.618
+ 92.375 50.025 154.703 -15.469
+ 91.485 59.266 149.095-141.938
+ 92.212 70.110 108.247-106.777
+ 93.252 141.926 139.013 -5.977
+ 130.288 -58.706 0.000 0.000
+ 123.845 -57.995 0.000 0.000
+ 92.083 54.427 131.712-158.115
+ 93.170 26.227 110.876 -75.756
+ 96.061 -95.209 121.008-116.735
+ 123.530-175.148 0.000 0.000
+ 131.672 -89.778 95.799 -62.021
+ 116.816-107.107 127.367-139.679
+ 118.177-137.983 109.452-109.187
+ 93.116 57.995 103.268-113.082
+ 93.333 0.000 115.830 -76.570
+ # 51 total E -2.02077E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 48.494 109.522 -80.565
+ 92.593 83.030 157.357 168.976
+ 93.748 112.736 125.535 -40.311
+ 124.982 -92.407 93.962 -91.761
+ 91.263 68.205 119.644 -97.333
+ 92.327 62.016 154.157 -4.620
+ 91.358 56.876 140.369 -59.886
+ 92.108 66.315 101.660-119.917
+ 93.385 153.787 132.675 1.740
+ 94.062 127.967 0.000 0.000
+ 132.716 -62.240 0.000 0.000
+ 109.037 -37.701 97.184 -90.712
+ 91.498 92.530 113.114 -74.469
+ 91.766 -19.937 102.622 -78.462
+ 110.079 -30.028 0.000 0.000
+ 134.991 -74.053 127.981-134.598
+ 118.679-111.821 112.889-117.608
+ 117.757-136.756 128.019-136.332
+ 93.134 58.043 101.835 -99.499
+ 93.333 0.000 115.778 -76.705
+ # 52 total E -2.07674E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.660 122.727 108.902 -81.000
+ 118.579-117.353 152.061 -32.352
+ 92.589 53.950 140.697 104.477
+ 92.170 44.632 128.399 -74.332
+ 91.521 42.645 136.646-147.739
+ 92.207 44.991 147.712 -23.320
+ 91.187 51.298 155.463-164.708
+ 91.109 68.903 81.916 -63.932
+ 92.253 43.304 134.099 5.573
+ 94.422 48.580 0.000 0.000
+ 94.884 41.817 0.000 0.000
+ 92.169 46.222 94.793 -98.861
+ 91.881 49.432 110.369 -83.853
+ 92.976 47.768 108.887-120.245
+ 94.993 67.254 0.000 0.000
+ 122.360 -78.010 137.585-166.615
+ 118.032-108.048 115.065-119.711
+ 117.934-137.678 117.254-120.897
+ 93.133 57.829 102.184-103.679
+ 93.333 0.000 115.864 -76.656
+ # 53 total E -2.06295E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.787 109.005 -81.149
+ 119.016-117.686 147.312 -32.159
+ 92.465 55.544 133.504 108.711
+ 92.148 44.422 141.227 -86.896
+ 91.442 42.932 131.329 -53.974
+ 92.286 55.608 153.643 -5.398
+ 91.439 43.671 150.722-135.062
+ 92.971 70.102 95.043-101.746
+ 93.825 -95.046 140.409 -16.395
+ 94.558 154.841 0.000 0.000
+ 133.498 -49.494 0.000 0.000
+ 91.986 65.303 99.155 -95.595
+ 92.570 30.971 104.048 -73.379
+ 95.860-115.104 112.109 -81.310
+ 95.512 154.856 0.000 0.000
+ 129.947-104.692 103.768 -54.496
+ 117.232-107.112 125.897-134.770
+ 118.033-127.940 108.534-108.417
+ 117.699-115.810 125.669-134.083
+ 121.611 0.000 121.479 -79.840
+ # 54 total E -2.13451E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.044 109.115 -80.020
+ 92.507 161.904 165.285 165.099
+ 92.338 78.282 166.754 16.838
+ 92.231 43.124 100.293 -77.542
+ 91.301 48.998 141.601-122.698
+ 92.078 42.237 140.838 -44.896
+ 91.506 57.945 162.089-179.423
+ 91.850 74.611 89.648 -59.624
+ 93.312 101.555 134.507 8.859
+ 128.181 -15.773 0.000 0.000
+ 125.844 -71.227 0.000 0.000
+ 110.958 -52.764 98.000 -87.545
+ 89.814 76.633 112.553 -74.426
+ 90.717 1.670 110.720 -76.267
+ 102.815 -70.244 0.000 0.000
+ 128.902 -44.377 140.312 173.468
+ 122.194-161.781 109.406-113.043
+ 92.754 116.061 103.030-104.202
+ 93.502 22.757 84.812 -91.109
+ 93.378 0.000 120.079 -77.416
+ # 55 total E -2.02013E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.973 109.603 -80.270
+ 92.492 160.380 157.887 157.640
+ 92.849 82.755 160.870 31.924
+ 92.535 41.042 105.104 -91.850
+ 91.447 55.974 129.223 -98.074
+ 92.308 56.326 152.130 -21.195
+ 91.502 68.613 163.732-163.392
+ 91.863 74.271 111.775-127.277
+ 93.732 56.497 138.184 -17.659
+ 131.111-156.800 0.000 0.000
+ 133.823 -30.048 0.000 0.000
+ 110.165 -29.527 125.276-137.978
+ 91.706 94.693 113.367 -74.414
+ 91.921 -20.847 101.620 -76.902
+ 110.473 -36.180 0.000 0.000
+ 132.571 -68.873 73.502 -67.504
+ 117.169-107.173 125.280-132.224
+ 118.433-138.342 118.282-121.086
+ 93.099 57.653 99.148-105.793
+ 93.333 0.000 115.710 -76.800
+ # 56 total E -2.07876E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.700 108.924 -81.124
+ 118.689-118.223 149.221 -32.645
+ 92.539 54.375 136.609 107.386
+ 92.065 45.965 134.796 -79.247
+ 91.429 41.942 126.572 -46.951
+ 92.566 45.860 153.933 -24.070
+ 91.512 54.447 151.157-146.320
+ 91.813 86.758 105.518 -92.878
+ 93.119 37.629 138.935 -12.329
+ 95.341 66.210 0.000 0.000
+ 130.897 -52.462 0.000 0.000
+ 92.361 69.170 100.139-103.904
+ 92.418 27.454 107.895 -76.254
+ 95.497-113.625 108.313 -81.833
+ 96.119 156.559 0.000 0.000
+ 128.711-103.259 103.339 -53.427
+ 117.348-107.112 126.697-135.371
+ 118.190-137.607 110.890-111.402
+ 93.127 58.030 102.876-110.274
+ 93.333 0.000 115.825 -76.595
+ # 57 total E -1.99626E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.636 49.563 109.498 -80.222
+ 92.487 159.692 159.285 160.960
+ 92.868 82.390 162.717 25.929
+ 92.593 41.258 102.683 -87.124
+ 91.595 55.893 130.368-102.640
+ 92.671 58.265 151.946 -25.777
+ 91.779 77.781 163.958-170.974
+ 92.803 144.627 117.073-135.393
+ 93.910 -64.358 115.825 -68.262
+ 129.659 -43.767 0.000 0.000
+ 125.857 -53.888 0.000 0.000
+ 91.962 53.973 130.899-157.155
+ 93.098 26.438 109.812 -75.058
+ 94.961 -94.275 125.271-116.856
+ 124.566-179.528 0.000 0.000
+ 129.849 -97.743 100.850 -58.473
+ 116.688-106.683 127.249-137.226
+ 118.162-138.054 109.624-109.610
+ 93.112 57.970 103.112-113.077
+ 93.332 0.000 115.827 -76.570
+ # 58 total E -2.13657E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 49.184 109.112 -80.023
+ 92.509 161.881 165.219 164.989
+ 92.339 78.310 166.726 16.846
+ 92.238 43.095 100.313 -77.628
+ 91.299 49.130 141.579-122.700
+ 92.078 42.191 140.855 -44.825
+ 91.504 58.202 162.049-178.663
+ 91.860 73.419 89.547 -59.590
+ 93.282 102.067 135.587 -0.836
+ 128.644 -17.349 0.000 0.000
+ 125.741 -70.592 0.000 0.000
+ 110.794 -51.756 97.783 -86.920
+ 89.835 77.162 112.566 -74.438
+ 90.746 1.078 110.406 -76.314
+ 102.468 -70.735 0.000 0.000
+ 129.985 -45.124 139.966 173.528
+ 120.698-146.399 104.959-107.409
+ 118.842-113.227 112.531-113.149
+ 93.050 61.888 103.762-112.618
+ 93.331 0.000 115.186 -76.691
+ # 59 total E -2.08771E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.636 47.263 109.767 -80.911
+ 92.095 74.172 140.625 -48.747
+ 92.537 51.739 125.624 115.924
+ 92.499 45.031 146.426 -89.190
+ 91.409 42.483 133.157 -58.129
+ 92.387 55.638 153.725 -2.652
+ 91.291 54.273 146.778-134.275
+ 92.058 65.029 102.212-109.370
+ 93.258 155.818 132.378 2.313
+ 94.152 123.740 0.000 0.000
+ 132.603 -60.854 0.000 0.000
+ 111.860 -38.369 122.947-133.484
+ 91.485 90.515 113.215 -74.443
+ 91.934 -17.707 103.749 -76.690
+ 111.559 -30.132 0.000 0.000
+ 133.802 -77.637 107.226 -61.850
+ 118.121-109.962 119.213-123.419
+ 117.834-136.899 118.778-122.267
+ 93.210 58.546 128.463-151.249
+ 93.333 0.000 115.720 -76.543
+ # 60 total E -2.04695E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.660 122.645 108.930 -81.118
+ 118.656-118.441 149.340 -32.504
+ 92.546 54.509 136.702 107.260
+ 92.077 45.990 134.811 -79.248
+ 91.435 42.159 126.824 -47.120
+ 92.578 46.119 153.986 -24.013
+ 91.527 56.123 150.943-146.183
+ 91.901 89.839 106.795 -94.607
+ 93.235 36.408 138.671 -6.814
+ 95.328 71.274 0.000 0.000
+ 131.939 -60.048 0.000 0.000
+ 92.877 67.247 101.800-109.350
+ 93.170 40.736 107.676 -76.275
+ 93.895 53.890 108.706 -83.615
+ 94.783 66.298 0.000 0.000
+ 122.683 -76.835 139.444-168.967
+ 117.977-109.596 116.284-121.904
+ 117.983-118.299 113.482-115.410
+ 117.763-115.829 121.724-127.235
+ 121.617 0.000 121.479 -79.864
+ # 61 total E -2.05138E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.527 109.166 -80.043
+ 92.500 161.088 165.049 167.168
+ 92.451 76.940 166.741 11.689
+ 92.574 43.298 98.040 -75.782
+ 91.615 50.234 143.979-120.710
+ 92.450 47.933 137.545 -70.655
+ 91.964 59.053 163.344-166.624
+ 93.113 137.692 104.254 119.077
+ 118.105 -64.101 137.053 -31.116
+ 126.986 -15.177 0.000 0.000
+ 129.552 -62.894 0.000 0.000
+ 102.243 -29.567 126.637-144.444
+ 91.098 95.077 112.931 -74.215
+ 91.099 -15.816 110.463 -75.860
+ 101.597 -63.389 0.000 0.000
+ 126.440 -47.926 151.721 -60.688
+ 119.313-144.822 119.871-128.282
+ 120.232-108.095 107.705-104.231
+ 117.599-115.923 122.145-130.239
+ 121.639 0.000 121.479 -80.020
+ # 62 total E -2.06089E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.636 44.399 109.281 -81.097
+ 92.059 75.499 142.451-106.561
+ 92.472 49.589 113.786 125.802
+ 92.560 45.241 155.104 -97.078
+ 91.467 40.605 132.075 -59.603
+ 92.349 58.618 151.796 -3.273
+ 91.427 42.243 144.349-130.081
+ 93.037 74.469 92.846-102.201
+ 93.768 -91.266 136.016 -16.847
+ 94.553 156.383 0.000 0.000
+ 134.100 -59.062 0.000 0.000
+ 92.167 56.362 133.034-159.567
+ 93.133 26.853 106.287 -73.514
+ 96.462 -93.441 116.179 -84.467
+ 123.397-174.599 0.000 0.000
+ 131.146 -82.751 113.455 -63.072
+ 117.233-106.351 118.259-124.891
+ 117.718-137.426 113.591-115.385
+ 93.272 58.197 126.342-149.309
+ 93.333 0.000 115.865 -76.348
+ # 63 total E -2.02594E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 50.314 109.657 -80.303
+ 92.482 157.966 157.213 156.973
+ 93.034 82.520 160.681 28.876
+ 92.915 39.109 104.428 -91.304
+ 91.888 62.564 128.113-131.884
+ 92.805 65.053 148.353 -10.889
+ 91.857 123.317 158.514-156.774
+ 92.016 -24.374 127.488-141.993
+ 91.420 -59.761 104.224 -64.039
+ 93.870 16.388 0.000 0.000
+ 114.283 -57.033 0.000 0.000
+ 97.564 -30.709 97.637 -98.018
+ 93.723 103.577 113.013 -75.252
+ 125.508-124.113 118.548 -83.820
+ 95.959 157.303 0.000 0.000
+ 127.412 -95.839 84.740 -66.326
+ 118.328-110.874 122.725-129.979
+ 117.907-114.482 111.620-113.092
+ 118.042-115.777 113.508-115.546
+ 121.609 0.000 121.450 -79.864
+ # 64 total E -1.99448E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.631 41.960 110.796 -83.665
+ 92.541 155.079 144.306-173.174
+ 93.579 94.971 124.808 -43.757
+ 92.474 -0.377 79.883 -79.805
+ 91.340 -87.451 141.127-110.625
+ 104.317 168.828 148.182 11.985
+ 92.138 75.037 157.011 170.992
+ 92.882 121.035 117.570-128.627
+ 93.546 80.307 134.171 -10.738
+ 96.962 76.595 0.000 0.000
+ 134.423 -96.330 0.000 0.000
+ 115.255 -54.038 121.929-129.967
+ 90.118 74.324 112.548 -74.330
+ 90.959 3.849 111.537 -76.281
+ 104.956 -61.208 0.000 0.000
+ 133.734 -62.963 158.965 -41.655
+ 119.808-112.333 106.301-108.000
+ 116.858-138.402 124.886-132.975
+ 93.167 58.075 130.804-155.657
+ 93.331 0.000 115.721 -76.619
+ # 65 total E -1.99223E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.967 109.550 -80.233
+ 92.489 160.211 158.622 158.583
+ 92.788 82.367 161.378 31.249
+ 92.451 41.121 104.100 -89.484
+ 91.444 53.782 126.561 -85.027
+ 92.368 53.194 150.630 -26.799
+ 91.781 52.969 166.207-159.692
+ 92.964 79.360 103.143-108.598
+ 93.689 -88.900 101.676 -64.663
+ 94.371 161.219 0.000 0.000
+ 138.408 -55.250 0.000 0.000
+ 93.033 57.462 97.923-103.228
+ 93.633 105.582 108.821 -76.343
+ 92.865 -17.927 128.560-147.945
+ 101.583 -76.358 0.000 0.000
+ 120.865-116.946 111.215 -44.540
+ 116.805-106.325 122.120-129.171
+ 118.130-137.798 111.151-112.051
+ 93.131 57.977 102.887-110.188
+ 93.333 0.000 115.865 -76.570
+ # 66 total E -2.00295E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 48.186 109.384 -80.522
+ 92.598 83.228 159.118 174.764
+ 93.770 112.048 125.488 -40.005
+ 125.524 -92.874 95.096 -92.514
+ 91.253 66.453 119.707 -97.478
+ 92.095 64.241 152.474 -10.029
+ 91.443 47.969 139.027 -54.831
+ 92.880 67.950 95.719-113.624
+ 93.962 -97.541 138.957 -18.609
+ 94.644 157.891 0.000 0.000
+ 135.007 -54.075 0.000 0.000
+ 92.184 63.725 99.551 -91.541
+ 92.542 33.372 112.202 -77.442
+ 95.602-115.640 110.788 -82.378
+ 95.579 154.444 0.000 0.000
+ 130.082-104.138 103.185 -54.819
+ 117.164-107.110 125.940-134.838
+ 118.038-127.064 108.663-108.578
+ 117.698-115.810 125.776-134.167
+ 121.610 0.000 121.479 -79.839
+ # 67 total E -1.99955E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.701 109.413 -80.174
+ 92.496 159.438 160.384 161.294
+ 92.817 81.869 164.094 20.856
+ 92.769 40.521 100.718 -82.743
+ 91.646 59.941 113.893 -85.492
+ 92.885 57.758 144.790 -26.652
+ 92.715 112.916 158.181-158.389
+ 90.800 -30.341 133.899-143.534
+ 91.035 -57.712 90.168 -77.304
+ 92.651 17.117 0.000 0.000
+ 116.175 -78.215 0.000 0.000
+ 92.781 52.934 100.305 -98.503
+ 129.845 -72.840 119.038 -78.066
+ 118.056 175.881 116.325 -81.122
+ 95.306 83.818 0.000 0.000
+ 127.771 -90.474 97.590 -59.048
+ 117.223-107.572 126.010-134.569
+ 118.146-137.556 110.954-111.424
+ 93.129 58.030 102.744-108.769
+ 93.333 0.000 115.829 -76.584
+ # 68 total E -2.07093E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.662 122.836 108.976 -81.142
+ 118.863-118.349 148.510 -31.758
+ 92.517 55.481 135.133 108.366
+ 92.089 45.359 137.906 -83.532
+ 91.368 43.451 129.483 -50.113
+ 92.344 49.145 154.811 -14.916
+ 91.424 59.456 148.949-141.055
+ 92.149 63.681 108.583-106.258
+ 93.726 135.922 134.575 -3.134
+ 130.171 -69.927 0.000 0.000
+ 128.074 -47.986 0.000 0.000
+ 106.949 -28.955 128.659-145.400
+ 91.530 98.316 113.237 -74.446
+ 91.669 -20.873 105.261 -76.881
+ 106.969 -45.836 0.000 0.000
+ 128.926 -64.667 101.729 -62.085
+ 118.484-112.801 126.646-133.312
+ 117.762-128.514 114.352-116.804
+ 117.350-115.778 132.912-145.414
+ 121.600 0.000 121.489 -79.780
+ # 69 total E -1.99050E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.486 109.249 -80.078
+ 92.503 161.232 162.776 163.773
+ 92.573 80.410 164.976 21.486
+ 92.320 42.993 102.222 -83.531
+ 91.355 51.536 127.467 -71.404
+ 92.291 49.905 151.679 -23.811
+ 91.607 60.684 162.393 176.353
+ 92.251 63.127 109.432-109.207
+ 93.699 143.949 154.139 4.271
+ 136.684 -84.301 0.000 0.000
+ 134.414 -38.137 0.000 0.000
+ 92.818 65.999 101.295-105.623
+ 93.093 44.435 107.205 -75.450
+ 116.710-177.592 111.739 -86.806
+ 95.191 126.929 0.000 0.000
+ 128.323 -92.276 94.337 -59.811
+ 117.102-106.039 127.017-136.090
+ 117.925-139.335 110.731-111.236
+ 93.054 58.729 107.772-116.790
+ 93.330 0.000 115.178 -76.734
+ # 70 total E -2.05622E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.986 109.527 -80.243
+ 92.487 158.644 157.778 157.615
+ 92.992 83.131 161.493 27.594
+ 92.920 39.914 104.422 -90.264
+ 91.842 61.223 125.776-125.268
+ 92.848 64.482 142.395 -17.306
+ 92.213 116.944 159.643-161.256
+ 91.005 -27.863 126.954-136.832
+ 91.047 -60.011 78.125 -87.622
+ 92.669 15.709 0.000 0.000
+ 113.651 -73.779 0.000 0.000
+ 117.979 12.630 110.693-112.973
+ 93.376 -51.718 110.656 -73.656
+ 91.425 -6.057 112.656 -76.418
+ 121.624 -21.526 0.000 0.000
+ 122.199 -75.393 130.590 148.300
+ 117.726-109.071 118.165-125.714
+ 117.926-136.943 118.482-122.118
+ 93.148 58.020 102.013-102.920
+ 93.333 0.000 115.840 -76.643
+ # 71 total E -2.08179E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.406 109.204 -80.054
+ 92.504 161.337 163.456 163.567
+ 92.504 79.915 165.564 20.205
+ 92.269 43.228 101.646 -81.726
+ 91.310 51.116 124.398 -72.341
+ 92.324 47.555 151.334 -27.293
+ 91.557 61.466 161.508 179.967
+ 92.179 63.403 110.817-106.020
+ 93.756 136.262 134.585 -3.832
+ 130.105 -69.891 0.000 0.000
+ 128.061 -47.833 0.000 0.000
+ 106.987 -28.912 128.706-145.461
+ 91.532 98.374 113.238 -74.444
+ 91.671 -20.909 105.253 -76.837
+ 106.985 -45.784 0.000 0.000
+ 128.895 -64.732 101.707 -62.092
+ 118.477-112.809 126.635-133.305
+ 117.766-128.212 114.346-116.800
+ 117.353-115.800 132.916-145.448
+ 121.604 0.000 121.489 -79.781
+ # 72 total E -2.04093E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.635 50.051 111.733 -82.414
+ 92.497 86.628 138.149 143.026
+ 94.090 109.873 165.213 -1.969
+ 128.677 -95.435 108.949 -88.345
+ 91.173 68.085 120.802 -96.811
+ 92.054 58.085 151.304 -28.159
+ 91.279 69.913 124.860 -71.765
+ 92.229 57.857 113.665-126.848
+ 93.447 103.624 137.909 4.564
+ 130.378 -15.106 0.000 0.000
+ 125.835 -71.466 0.000 0.000
+ 109.881 -49.708 97.573 -88.006
+ 89.959 78.285 112.303 -74.140
+ 90.852 0.377 109.643 -76.484
+ 102.196 -71.605 0.000 0.000
+ 129.135 -44.909 151.433 30.969
+ 121.165-146.604 107.942-107.528
+ 118.771-113.526 112.861-114.092
+ 93.052 61.832 104.606-114.360
+ 93.339 0.000 115.198 -76.683
+ # 73 total E -1.98445E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.430 109.115 -80.034
+ 92.505 161.826 165.306 166.964
+ 92.382 77.690 166.666 15.328
+ 92.391 42.056 99.539 -77.063
+ 91.425 50.132 142.873-122.624
+ 92.254 43.898 139.174 -46.622
+ 91.976 59.141 164.991-165.816
+ 93.360 106.544 113.228 109.147
+ 124.458 -58.553 117.998 -79.478
+ 126.155 -46.983 0.000 0.000
+ 123.667 -89.947 0.000 0.000
+ 91.619 36.903 138.235-168.758
+ 93.540 45.006 110.167 -74.322
+ 94.430 -68.585 113.455 -74.458
+ 124.688 -29.740 0.000 0.000
+ 127.595 -55.711 140.668 70.258
+ 118.728-112.605 126.759-134.869
+ 118.795-139.399 134.644-142.378
+ 93.024 57.453 101.937-101.420
+ 93.335 0.000 115.688 -76.907
+ # 74 total E -1.99596E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.697 108.835 -81.107
+ 118.685-121.507 153.589 -31.862
+ 92.751 58.129 142.013 103.375
+ 92.467 44.931 131.596 -76.941
+ 91.544 48.292 120.703 -55.085
+ 93.161 49.575 151.924 -23.751
+ 92.674 110.544 148.088-146.539
+ 91.493 -29.503 136.717-135.648
+ 91.224 -59.191 92.449-102.512
+ 93.132 13.940 0.000 0.000
+ 116.745-104.770 0.000 0.000
+ 92.669 35.397 101.900-101.685
+ 94.769 95.347 111.376 -74.701
+ 92.680 -11.146 120.516 -78.403
+ 104.304 -96.236 0.000 0.000
+ 126.246-116.160 112.919 -44.251
+ 116.758-106.634 141.652-159.383
+ 118.105-137.212 111.672-112.853
+ 93.148 58.074 102.323-107.043
+ 93.333 0.000 115.856 -76.578
+ # 75 total E -2.07145E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.637 109.354 -80.136
+ 92.499 159.603 161.260 162.120
+ 92.754 81.424 164.441 20.313
+ 92.676 41.154 100.395 -81.665
+ 91.569 59.373 114.150 -80.241
+ 92.845 53.292 146.082 -28.485
+ 92.630 113.623 156.416-152.865
+ 91.047 -27.590 136.752-143.921
+ 90.571 -57.968 132.029 -43.065
+ 93.575 11.512 0.000 0.000
+ 109.224 -58.333 0.000 0.000
+ 86.878 -28.268 100.486-103.328
+ 93.043 123.487 112.446 -74.092
+ 94.875 13.861 130.634 -45.273
+ 128.742-133.177 0.000 0.000
+ 128.081 -89.090 123.299 -48.062
+ 117.541-107.525 126.646-137.164
+ 117.919-137.580 113.545-114.457
+ 93.248 58.208 128.858-152.523
+ 93.333 0.000 115.845 -76.484
+ # 76 total E -1.99990E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 50.024 109.547 -80.215
+ 92.492 160.205 158.621 157.591
+ 92.741 82.281 161.118 32.639
+ 92.395 41.630 104.026 -88.774
+ 91.360 53.942 127.073 -86.379
+ 92.367 51.809 151.592 -31.478
+ 91.768 67.159 165.040-167.513
+ 92.477 72.132 113.532-118.537
+ 112.057-157.702 142.886 -16.933
+ 135.283 -70.979 0.000 0.000
+ 128.029 -34.335 0.000 0.000
+ 92.152 68.340 100.626-104.214
+ 92.614 24.554 104.879 -74.875
+ 95.556-113.075 113.708 -80.665
+ 95.595 153.375 0.000 0.000
+ 131.466-105.423 109.063 -52.104
+ 116.897-106.795 127.128-137.284
+ 118.308-138.817 110.729-110.949
+ 93.092 57.865 102.751-108.185
+ 93.332 0.000 115.817 -76.579
+ # 77 total E -2.09921E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.283 109.164 -80.032
+ 92.504 161.618 164.354 163.523
+ 92.385 78.830 166.381 18.037
+ 92.229 43.080 100.334 -78.227
+ 91.315 49.400 138.026-117.208
+ 92.136 43.170 140.983 -38.173
+ 91.669 59.610 162.640-178.321
+ 91.688 85.443 90.229 -64.775
+ 93.252 37.548 137.075 -5.265
+ 95.641 69.381 0.000 0.000
+ 132.116 -68.241 0.000 0.000
+ 92.880 68.196 100.850-104.727
+ 93.572 4.210 118.650 -80.123
+ 120.415-167.187 119.932-124.444
+ 95.018 82.735 0.000 0.000
+ 129.977 -92.584 96.674 -59.422
+ 117.391-107.065 125.707-133.549
+ 118.059-137.486 110.883-111.738
+ 93.133 57.382 102.799-111.070
+ 93.335 0.000 115.976 -76.803
+ # 78 total E -2.00486E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.418 109.232 -80.076
+ 92.497 161.334 162.848 162.136
+ 92.470 79.269 165.888 18.699
+ 92.273 42.507 99.727 -78.728
+ 91.383 48.881 131.326-107.593
+ 92.173 44.375 141.456 -34.338
+ 91.618 57.316 166.302-178.480
+ 92.032 74.712 92.730 -69.111
+ 93.631 45.520 138.581 10.881
+ 124.830-152.277 0.000 0.000
+ 95.433 55.582 0.000 0.000
+ 93.766 66.377 99.088-104.313
+ 94.106 -15.859 107.197 -82.501
+ 120.639 -95.820 129.620-127.531
+ 94.476 148.795 0.000 0.000
+ 131.725 -86.021 89.081 -65.405
+ 116.159-102.258 123.606-132.369
+ 117.840-138.899 109.902-110.291
+ 93.229 57.844 122.349-143.962
+ 93.335 0.000 115.762 -76.638
+ # 79 total E -2.06877E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 50.176 109.735 -80.339
+ 92.485 158.079 156.310 155.241
+ 93.023 82.713 159.542 32.153
+ 92.864 40.105 105.160 -92.769
+ 91.844 62.398 126.928-131.085
+ 92.779 64.718 147.877 -13.156
+ 91.875 122.913 157.538-158.491
+ 92.048 -24.286 128.241-141.927
+ 91.365 -59.627 104.192 -63.416
+ 93.870 16.053 0.000 0.000
+ 114.090 -56.831 0.000 0.000
+ 97.346 -30.678 97.752 -98.291
+ 93.717 103.150 112.997 -75.274
+ 126.116-123.639 118.621 -83.880
+ 95.959 157.355 0.000 0.000
+ 127.395 -93.428 83.214 -67.136
+ 118.300-108.903 122.358-129.308
+ 117.953-135.135 113.809-116.218
+ 93.208 58.417 98.845 -92.510
+ 93.333 0.000 115.926 -76.501
+ # 80 total E -2.04065E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 46.276 107.931 -79.496
+ 92.813 155.368 154.607-119.278
+ 131.145 -95.784 106.846 -98.362
+ 93.922 42.232 166.123-175.063
+ 91.720 43.578 133.511 -76.448
+ 92.509 58.490 155.155 -8.590
+ 91.426 46.754 140.537-117.715
+ 92.785 76.389 96.891-105.685
+ 93.782 -99.153 134.849 -19.932
+ 94.830 156.917 0.000 0.000
+ 135.866 -66.753 0.000 0.000
+ 92.620 58.879 105.108-105.979
+ 92.870 47.811 112.992 -80.646
+ 93.671 50.172 104.642 -83.719
+ 94.986 67.381 0.000 0.000
+ 122.782 -77.473 138.095-165.155
+ 118.040-108.093 115.249-120.163
+ 117.905-137.704 117.305-120.942
+ 93.132 57.803 101.996-103.153
+ 93.334 0.000 115.857 -76.676
+ # 81 total E -2.00680E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 47.452 109.329 -80.845
+ 92.279 96.056 152.741-139.323
+ 92.270 101.081 125.062 -42.594
+ 93.525 6.811 90.294 -89.008
+ 93.586 -95.240 138.699-129.132
+ 93.520 146.163 135.939 57.611
+ 92.247 68.454 133.319 -97.594
+ 92.596 94.531 124.523 -97.036
+ 93.715 35.645 137.694 -5.977
+ 95.611 75.861 0.000 0.000
+ 132.050 -62.072 0.000 0.000
+ 92.781 65.888 101.601-109.082
+ 93.287 40.441 107.250 -77.624
+ 93.960 54.372 109.745 -83.334
+ 94.846 67.052 0.000 0.000
+ 122.956 -78.308 139.296-170.123
+ 118.055-108.135 115.465-120.549
+ 117.876-137.660 117.305-120.928
+ 93.138 57.857 102.294-103.394
+ 93.334 0.000 115.858 -76.648
+ # 82 total E -1.98673E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 48.538 109.263 -80.311
+ 92.562 89.411 160.055 164.318
+ 93.753 108.641 126.882 -40.498
+ 122.009-101.671 100.925 -92.390
+ 91.756 70.001 128.241-146.240
+ 93.093 97.050 133.308 -82.180
+ 92.184 41.716 133.393 -82.773
+ 120.503-101.436 99.927-106.447
+ 121.625 -76.346 106.414 -70.969
+ 94.776 60.013 0.000 0.000
+ 95.672 42.195 0.000 0.000
+ 92.641 46.893 104.964-109.754
+ 91.989 46.835 105.090 -81.497
+ 93.145 50.697 108.720 -83.629
+ 94.869 67.885 0.000 0.000
+ 121.618 -76.148 137.485-167.045
+ 117.982-107.950 114.976-119.557
+ 117.893-137.832 117.403-121.129
+ 93.151 57.819 101.466-102.983
+ 93.334 0.000 115.879 -76.640
+ # 83 total E -2.01039E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 48.648 108.830 -80.066
+ 92.554 165.177 176.430-164.086
+ 91.987 76.134 169.921 13.826
+ 92.099 44.739 101.964 -65.371
+ 91.280 46.928 121.260 -57.927
+ 92.280 45.252 148.110 -38.201
+ 91.552 57.672 159.390-173.186
+ 91.788 87.056 106.886 -88.420
+ 93.198 35.398 138.211 -28.274
+ 95.413 72.413 0.000 0.000
+ 130.050 -60.709 0.000 0.000
+ 92.526 66.627 134.951-163.312
+ 93.001 17.912 108.535 -74.208
+ 95.737 -99.085 102.030 -75.621
+ 124.406 179.527 0.000 0.000
+ 128.919 -89.937 100.336 -74.390
+ 116.034-163.627 120.281-129.695
+ 93.059 114.614 132.854-159.968
+ 93.187 28.606 101.349-103.446
+ 93.346 0.000 116.109 -76.689
+ # 84 total E -2.05603E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.636 48.085 109.587 -81.056
+ 92.630 171.004 147.821 -8.522
+ 92.812 75.110 150.549 96.944
+ 92.473 43.152 140.104 -83.625
+ 91.496 45.300 129.542 -43.718
+ 92.334 55.880 153.654 -9.142
+ 91.498 44.158 150.934-135.015
+ 92.933 73.475 95.622-102.622
+ 93.846 -92.387 135.963 -18.965
+ 94.638 156.146 0.000 0.000
+ 135.867 -54.307 0.000 0.000
+ 92.380 61.396 100.481-100.964
+ 92.744 48.241 105.617 -74.104
+ 93.609 50.250 105.622 -81.512
+ 95.012 67.249 0.000 0.000
+ 123.002 -77.710 138.031-164.542
+ 118.021-109.689 115.973-121.324
+ 117.976-118.246 113.356-115.279
+ 117.758-115.828 122.217-127.916
+ 121.615 0.000 121.479 -79.862
+ # 85 total E -2.02861E+02 rmsd from N 0.000 %NC 0.00 0
+ 118.125-143.784 111.008 -82.885
+ 122.250-171.985 167.601-158.338
+ 92.559 81.021 170.629 20.041
+ 92.602 41.643 110.910 -65.208
+ 91.497 56.318 116.584 -72.429
+ 92.846 52.707 147.228 -28.642
+ 92.735 114.200 153.392-152.936
+ 90.828 -29.651 137.101-147.651
+ 90.730 -55.540 111.153 -56.180
+ 94.202 10.935 0.000 0.000
+ 110.188 -61.149 0.000 0.000
+ 87.396 -29.305 101.720-104.578
+ 92.994 116.730 108.287 -75.772
+ 95.965 39.316 131.138 -50.000
+ 95.928 76.369 0.000 0.000
+ 120.948 -88.421 124.383 -41.720
+ 117.313-106.182 124.055-130.800
+ 117.490-139.376 114.702-116.610
+ 93.227 57.839 129.789-154.657
+ 93.326 0.000 115.846 -76.531
+ # 86 total E -2.02054E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.724 109.444 -80.189
+ 92.488 159.838 159.980 161.714
+ 92.844 81.397 163.461 22.906
+ 92.648 41.289 101.724 -85.394
+ 91.641 55.225 128.445 -93.929
+ 93.036 59.433 154.681 -6.340
+ 91.997 69.352 165.242-173.086
+ 108.413 -69.146 115.137-123.820
+ 120.641-174.846 148.482 2.548
+ 132.350 -53.572 0.000 0.000
+ 127.125 -56.048 0.000 0.000
+ 107.801 -31.842 122.924-135.625
+ 91.252 95.697 113.283 -74.425
+ 91.479 -19.429 103.551 -78.172
+ 105.487 -48.753 0.000 0.000
+ 130.087 -55.637 96.608-114.646
+ 122.735-161.696 120.642-128.557
+ 92.918 113.710 100.117 -90.276
+ 93.056 31.497 97.177-102.350
+ 93.333 0.000 113.728 -76.647
+ # 87 total E -1.99134E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.657 122.786 109.012 -81.145
+ 118.930-117.737 147.395 -32.089
+ 92.462 55.909 133.576 108.467
+ 92.155 44.338 141.369 -87.084
+ 91.450 43.192 131.482 -55.341
+ 92.322 56.261 153.519 -4.138
+ 91.446 43.606 150.613-134.920
+ 92.942 71.389 94.675-102.417
+ 93.947 -93.508 136.177 -18.235
+ 94.648 157.613 0.000 0.000
+ 136.474 -53.078 0.000 0.000
+ 92.805 60.400 99.332 -96.694
+ 93.438 63.529 109.854 -75.679
+ 93.874 129.165 109.799-115.630
+ 135.467 -90.049 0.000 0.000
+ 127.738 -91.358 95.442 -60.131
+ 117.032-107.349 125.676-134.359
+ 118.168-137.535 110.494-110.869
+ 93.128 58.045 102.961-111.191
+ 93.333 0.000 115.850 -76.569
+ # 88 total E -1.99172E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 48.261 108.880 -80.167
+ 92.564 165.668 176.430-164.763
+ 92.170 77.546 169.104 12.810
+ 92.468 45.687 103.406 -62.917
+ 91.646 48.810 127.311 -69.014
+ 93.151 61.623 147.920 -30.495
+ 92.402 62.457 160.434 172.716
+ 119.089-119.822 111.436-107.625
+ 123.472 -79.191 143.064 -28.754
+ 95.223 89.047 0.000 0.000
+ 133.317 -32.658 0.000 0.000
+ 92.328 63.609 100.866-106.434
+ 92.672 45.213 105.479 -77.568
+ 93.530 58.279 105.812 -83.941
+ 95.111 73.328 0.000 0.000
+ 123.201 -86.754 89.601 -61.723
+ 117.245-106.857 126.579-135.300
+ 118.062-137.753 110.809-111.541
+ 93.095 54.654 102.328-109.370
+ 93.345 0.000 116.444 -77.817
+ # 89 total E -2.04400E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 48.918 109.205 -80.050
+ 92.503 161.169 163.665 164.774
+ 92.519 79.749 165.767 18.983
+ 92.315 43.140 100.483 -80.059
+ 91.401 51.321 124.791 -73.839
+ 92.398 50.114 150.050 -30.629
+ 91.805 56.492 162.318-178.342
+ 92.683 90.924 106.574-103.892
+ 93.627 -82.611 97.761 -68.990
+ 94.437 166.443 0.000 0.000
+ 135.690 -50.687 0.000 0.000
+ 109.849 -30.018 126.357-139.904
+ 91.755 94.254 112.928 -74.325
+ 91.857 -21.053 103.910 -76.803
+ 110.568 -34.842 0.000 0.000
+ 132.541 -73.088 80.711 -66.983
+ 117.104-109.551 123.564-130.213
+ 118.184-137.543 117.049-119.508
+ 93.100 58.266 102.824-111.797
+ 93.333 0.000 115.659 -76.648
+ # 90 total E -2.09217E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.636 48.073 109.575 -81.032
+ 92.623 170.636 148.225 -8.807
+ 92.850 75.557 150.329 97.292
+ 92.419 43.344 138.600 -82.503
+ 91.430 45.919 128.851 -44.728
+ 92.378 54.034 154.091 -7.208
+ 91.312 54.343 150.397-140.363
+ 92.003 64.679 103.149-108.449
+ 93.275 157.961 132.274 -0.296
+ 94.140 123.774 0.000 0.000
+ 132.583 -60.798 0.000 0.000
+ 111.826 -38.382 123.031-133.629
+ 91.487 90.605 113.218 -74.444
+ 91.935 -17.793 103.758 -76.743
+ 111.493 -30.081 0.000 0.000
+ 133.866 -77.654 107.272 -61.821
+ 118.117-109.972 119.312-123.571
+ 117.839-137.027 118.750-122.212
+ 93.209 58.396 128.450-151.230
+ 93.333 0.000 115.723 -76.542
+ # 91 total E -2.01493E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 48.425 108.834 -80.064
+ 92.547 165.059 176.422-163.868
+ 92.054 76.497 169.728 14.159
+ 92.131 44.885 102.558 -67.051
+ 91.320 46.926 121.953 -56.061
+ 92.347 47.058 149.824 -31.815
+ 91.677 53.980 159.448-179.765
+ 91.891 72.305 104.167 -91.596
+ 93.150 73.462 150.645 2.863
+ 95.237 61.089 0.000 0.000
+ 124.977-135.158 0.000 0.000
+ 121.590 120.123 123.053-128.482
+ 127.315 -94.492 116.299 -72.660
+ 93.868 55.241 113.414 -76.013
+ 95.203 79.259 0.000 0.000
+ 123.796 -84.880 123.089 -44.173
+ 116.859-105.009 122.985-131.268
+ 118.036-139.499 114.499-115.992
+ 93.197 57.857 128.309-151.932
+ 93.332 0.000 115.783 -76.510
+ # 92 total E -1.98804E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.481 109.164 -80.040
+ 92.493 161.208 164.163 165.162
+ 92.526 75.286 166.422 9.913
+ 92.494 44.807 98.491 -78.370
+ 91.506 48.548 123.630 -66.116
+ 92.557 49.473 154.820 -14.994
+ 91.661 57.984 160.706 169.505
+ 92.531 81.808 106.950-103.311
+ 93.724-113.596 130.392 -34.900
+ 94.792 151.665 0.000 0.000
+ 138.055 -80.580 0.000 0.000
+ 118.480 -96.582 107.989-112.655
+ 93.512 75.168 112.838 -74.577
+ 126.345 -87.143 122.206 -81.852
+ 95.284 161.706 0.000 0.000
+ 130.352 -87.705 92.541 -61.074
+ 117.200-106.751 126.616-135.458
+ 118.450-137.161 109.336-109.500
+ 93.144 57.333 97.734-107.031
+ 93.337 0.000 115.174 -77.596
+ # 93 total E -2.00257E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.615 48.480 144.352-132.923
+ 92.660 172.796 147.309 -5.325
+ 92.682 73.842 149.253 98.893
+ 92.108 48.605 141.613 -83.820
+ 91.233 41.549 124.931 -41.983
+ 92.272 49.217 153.127 -23.478
+ 91.511 58.481 146.371-137.725
+ 91.732 68.458 107.818-101.808
+ 92.892 95.441 138.892 -6.384
+ 94.876 97.936 0.000 0.000
+ 130.179 -61.682 0.000 0.000
+ 117.680 -77.067 118.814-125.002
+ 93.556 77.879 112.872 -74.517
+ 122.187 -97.784 121.310 -80.927
+ 126.821-166.291 0.000 0.000
+ 127.857 -80.362 149.272-140.310
+ 118.171-109.443 117.130-124.714
+ 118.068-138.694 113.405-115.851
+ 92.962 51.308 106.238-116.524
+ 93.358 0.000 117.045 -79.114
+ # 94 total E -2.09273E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.786 109.014 -81.153
+ 118.969-117.679 147.216 -32.015
+ 92.461 55.811 133.262 108.707
+ 92.156 44.376 141.619 -87.266
+ 91.457 43.084 131.467 -55.062
+ 92.317 56.426 153.663 -3.905
+ 91.444 43.297 150.540-134.834
+ 92.957 71.740 94.414-102.328
+ 93.947 -93.685 136.217 -17.880
+ 94.619 155.656 0.000 0.000
+ 135.746 -52.158 0.000 0.000
+ 92.383 61.627 100.301 -99.410
+ 92.728 48.311 105.210 -73.373
+ 93.610 49.972 105.816 -81.433
+ 95.003 66.920 0.000 0.000
+ 122.830 -77.466 137.916-164.546
+ 118.015-108.051 115.234-120.153
+ 117.902-137.735 117.262-120.884
+ 93.134 57.819 102.079-103.369
+ 93.334 0.000 115.862 -76.660
+ # 95 total E -2.11284E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.662 122.714 108.848 -80.955
+ 118.334-118.176 153.415 -33.352
+ 92.638 53.313 142.844 103.067
+ 92.245 44.212 125.129 -71.698
+ 91.551 43.655 139.903-150.003
+ 92.337 43.265 147.835 -32.102
+ 91.379 55.864 155.361-167.723
+ 91.851 75.454 85.787 -63.068
+ 93.279 101.967 135.370 -1.779
+ 128.379 -17.566 0.000 0.000
+ 125.779 -70.514 0.000 0.000
+ 110.901 -52.017 97.816 -86.869
+ 89.815 76.996 112.557 -74.439
+ 90.730 1.205 110.508 -76.293
+ 102.531 -70.650 0.000 0.000
+ 130.057 -45.113 139.864 170.343
+ 120.640-146.255 104.507-107.400
+ 118.825-113.228 112.466-113.029
+ 93.051 61.928 103.661-112.393
+ 93.335 0.000 115.185 -76.691
+ # 96 total E -2.01693E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.636 47.776 109.515 -80.999
+ 92.609 170.400 149.269 -10.046
+ 92.850 74.458 152.915 96.572
+ 92.381 44.198 135.183 -79.010
+ 91.416 45.147 127.267 -40.321
+ 92.395 49.406 153.714 -21.708
+ 91.569 54.903 151.258-144.286
+ 91.840 78.104 105.540-102.596
+ 92.805 75.652 133.873 -6.090
+ 96.823 80.471 0.000 0.000
+ 133.805 -96.917 0.000 0.000
+ 116.075 -55.506 123.569-131.994
+ 90.100 74.036 112.546 -74.301
+ 90.931 4.093 111.825 -76.302
+ 105.568 -58.572 0.000 0.000
+ 134.074 -64.880 158.695 -32.793
+ 119.864-112.708 105.391-105.864
+ 116.994-131.995 122.400-129.369
+ 117.246-115.838 135.342-149.095
+ 121.604 0.000 121.483 -79.772
+ # 97 total E -2.12703E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.641 49.093 109.229 -80.080
+ 92.504 161.357 163.482 163.575
+ 92.501 79.872 165.581 20.180
+ 92.266 43.230 101.632 -81.687
+ 91.307 51.067 124.401 -72.233
+ 92.318 47.466 151.351 -27.349
+ 91.552 61.251 161.518 179.861
+ 92.170 63.430 110.706-105.747
+ 93.723 136.305 135.923 -3.853
+ 130.227 -68.161 0.000 0.000
+ 127.851 -48.237 0.000 0.000
+ 107.202 -29.481 127.251-142.838
+ 91.460 98.180 113.226 -74.472
+ 91.643 -20.869 104.874 -77.106
+ 106.794 -46.030 0.000 0.000
+ 129.399 -62.980 104.164 -62.001
+ 118.630-110.971 125.728-131.511
+ 117.676-137.891 116.564-119.624
+ 93.191 58.327 128.128-152.031
+ 93.334 0.000 115.482 -76.754
+ # 98 total E -1.98867E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.348 109.181 -80.047
+ 92.505 161.387 163.752 162.186
+ 92.409 79.379 166.242 18.514
+ 92.225 43.290 100.401 -78.526
+ 91.319 49.284 134.814-113.243
+ 92.100 44.319 142.061 -36.346
+ 91.576 57.502 162.424 178.240
+ 91.534 84.177 91.686 -67.097
+ 93.100 35.382 140.155 -10.885
+ 94.927 63.369 0.000 0.000
+ 126.207 -35.098 0.000 0.000
+ 92.492 65.094 127.872-150.756
+ 92.608 2.811 103.995 -75.009
+ 110.149 -84.600 112.686 -78.756
+ 136.416 -41.914 0.000 0.000
+ 128.799 -80.495 87.427 -65.570
+ 117.113-109.869 126.317-135.791
+ 118.058-117.322 108.788-108.517
+ 117.718-115.823 124.550-132.403
+ 121.613 0.000 121.483 -79.847
+ # 99 total E -2.09065E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.701 108.930 -81.119
+ 118.666-118.428 149.314 -32.516
+ 92.548 54.505 136.671 107.291
+ 92.077 45.994 134.857 -79.294
+ 91.435 42.142 126.824 -47.133
+ 92.582 46.127 153.990 -23.973
+ 91.526 56.052 150.928-146.038
+ 91.901 89.821 106.740 -94.582
+ 93.236 36.465 138.687 -6.644
+ 95.331 71.191 0.000 0.000
+ 131.994 -60.033 0.000 0.000
+ 92.874 67.221 101.822-109.445
+ 93.154 40.945 107.671 -76.236
+ 93.885 53.589 108.727 -83.680
+ 94.763 65.763 0.000 0.000
+ 122.341 -76.445 139.287-168.102
+ 117.967-107.937 115.490-120.649
+ 117.921-137.766 117.223-120.786
+ 93.130 57.848 101.955-103.432
+ 93.333 0.000 115.853 -76.653
+ # 100 total E -2.01405E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 48.964 108.993 -79.993
+ 92.517 162.568 168.155 171.553
+ 92.304 77.583 167.363 14.970
+ 92.200 44.465 98.916 -73.504
+ 91.314 49.192 125.719 -66.870
+ 92.263 49.342 150.150 -34.026
+ 91.582 56.366 159.986 176.487
+ 91.872 68.456 107.427 -98.195
+ 92.979 88.169 148.706 12.858
+ 94.554 61.018 0.000 0.000
+ 123.057 -50.712 0.000 0.000
+ 117.061-140.506 122.732-130.490
+ 129.808-168.093 156.419-149.259
+ 119.107 -72.598 123.824 -79.828
+ 95.230 57.358 0.000 0.000
+ 130.470 -99.081 104.936 -54.575
+ 117.013-106.905 125.453-133.659
+ 118.191-139.840 114.172-114.769
+ 93.263 75.430 101.057-105.295
+ 93.299 0.000 111.104 -72.729
+ # 101 total E -2.02975E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 50.168 109.377 -80.157
+ 92.498 159.509 160.763 161.523
+ 92.786 81.802 164.282 20.610
+ 92.717 41.150 100.601 -82.222
+ 91.619 59.375 114.224 -83.984
+ 92.865 56.126 146.164 -27.839
+ 92.613 114.392 157.312-157.933
+ 91.214 -28.032 135.706-144.387
+ 90.676 -57.903 103.747 -59.208
+ 93.586 13.367 0.000 0.000
+ 113.190 -56.278 0.000 0.000
+ 94.634 -29.210 98.140 -98.856
+ 93.660 100.922 112.844 -75.426
+ 128.244-126.450 120.817 -81.812
+ 131.879-110.003 0.000 0.000
+ 127.007 -85.109 152.290-178.963
+ 118.015-108.473 116.466-123.567
+ 118.011-137.007 116.731-119.787
+ 93.154 57.923 102.067-103.686
+ 93.334 0.000 115.883 -76.638
+ # 102 total E -2.03699E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.660 122.781 108.993 -81.146
+ 118.912-118.706 148.579 -31.321
+ 92.544 55.945 134.977 108.374
+ 92.088 45.802 138.356 -83.650
+ 91.388 42.939 129.859 -50.196
+ 92.427 50.459 154.587 -14.769
+ 91.560 56.350 149.319-141.794
+ 92.031 76.690 105.777-104.686
+ 93.397 124.536 129.736 27.389
+ 94.298 53.635 0.000 0.000
+ 123.619 -71.495 0.000 0.000
+ 116.408 -84.403 122.054-129.632
+ 93.138 66.055 113.179 -74.372
+ 94.524 43.484 113.959 -76.877
+ 95.775 82.958 0.000 0.000
+ 128.437 -84.966 123.698 135.164
+ 117.957-107.661 116.269-125.177
+ 117.914-138.075 116.464-119.334
+ 93.126 57.755 102.173-104.148
+ 93.334 0.000 115.874 -76.648
+ # 103 total E -2.02805E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.630 44.008 111.953 -83.994
+ 92.471 153.087 143.864-173.798
+ 93.491 95.021 124.622 -43.803
+ 92.392 0.187 81.222 -80.375
+ 91.499 -87.880 142.511-112.484
+ 103.939 169.212 85.287-126.044
+ 92.062 74.661 155.665 177.517
+ 93.076 106.793 116.590-130.512
+ 129.014 -8.270 143.995 -31.010
+ 130.771 -28.471 0.000 0.000
+ 127.442 -60.550 0.000 0.000
+ 100.738 -28.160 129.518-150.512
+ 91.409 97.021 113.251 -74.397
+ 91.204 -17.476 113.285 -74.969
+ 100.287 -65.524 0.000 0.000
+ 125.334 -48.407 113.755-127.716
+ 118.183-111.431 123.306-131.677
+ 118.688-139.253 118.450-121.830
+ 93.051 58.214 129.530-151.515
+ 93.334 0.000 115.615 -76.577
+ # 104 total E -1.99032E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.804 108.968 -81.144
+ 118.850-117.996 148.357 -32.188
+ 92.510 55.197 135.157 108.410
+ 92.070 45.547 137.663 -83.068
+ 91.361 43.012 129.217 -49.669
+ 92.315 48.763 154.761 -16.365
+ 91.404 55.813 149.356-142.055
+ 92.085 67.961 106.286-102.445
+ 93.052 67.349 138.226 -15.998
+ 127.317 10.266 0.000 0.000
+ 130.463 -31.424 0.000 0.000
+ 92.706 71.952 100.969-104.796
+ 92.331 17.599 106.237 -74.263
+ 109.554-108.642 104.802 -84.986
+ 95.876 157.854 0.000 0.000
+ 129.424 -99.233 100.356 -56.656
+ 117.215-107.032 125.719-134.314
+ 118.208-137.846 110.388-110.737
+ 93.116 58.037 103.072-112.392
+ 93.333 0.000 115.823 -76.587
+ # 105 total E -2.01908E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.414 109.072 -80.011
+ 92.511 161.976 165.917 166.841
+ 92.378 78.318 166.680 16.825
+ 92.223 44.076 99.765 -76.788
+ 91.330 49.500 123.496 -68.111
+ 92.387 47.626 150.533 -30.361
+ 91.697 58.713 160.881 177.335
+ 92.249 82.130 108.598-100.116
+ 93.304 121.501 137.824 -7.710
+ 119.481 19.430 0.000 0.000
+ 124.347 -57.835 0.000 0.000
+ 117.110 -75.657 120.848-126.994
+ 92.773 67.401 113.712 -74.579
+ 94.159 44.017 113.825 -76.698
+ 95.702 80.869 0.000 0.000
+ 126.616 -85.058 144.376-159.505
+ 117.964-107.629 117.335-124.947
+ 117.952-137.996 116.319-119.191
+ 93.123 57.723 102.144-104.076
+ 93.333 0.000 115.861 -76.647
+ # 106 total E -2.04999E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.389 109.204 -80.056
+ 92.504 161.161 163.449 163.793
+ 92.516 79.821 165.563 19.725
+ 92.280 43.457 101.201 -81.136
+ 91.331 50.839 124.303 -72.846
+ 92.313 48.929 150.934 -27.132
+ 91.585 57.516 161.585 175.986
+ 91.874 70.313 107.551-104.058
+ 93.011 77.516 133.298 -3.420
+ 94.376 104.152 0.000 0.000
+ 137.477 -32.867 0.000 0.000
+ 107.896 -24.258 123.513-136.104
+ 92.673 92.300 113.313 -74.451
+ 91.444 -25.133 104.049 -74.482
+ 104.358 -92.379 0.000 0.000
+ 126.436-107.727 106.519 -51.436
+ 116.960-106.430 127.353-136.781
+ 118.128-137.716 110.661-111.101
+ 93.132 58.058 102.782-110.394
+ 93.333 0.000 115.833 -76.565
+ # 107 total E -2.03369E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 48.316 109.529 -80.614
+ 92.601 82.346 157.904 172.340
+ 93.793 113.150 125.484 -40.042
+ 125.257 -93.008 95.546 -92.849
+ 91.304 66.285 119.440 -96.822
+ 92.162 63.960 152.308 -7.568
+ 91.494 46.318 140.171 -54.871
+ 92.914 70.783 94.371-112.423
+ 94.031 -96.483 136.193 -17.660
+ 94.748 157.779 0.000 0.000
+ 134.615 -59.576 0.000 0.000
+ 92.489 56.553 101.358 -97.404
+ 92.898 48.032 114.989 -79.037
+ 93.697 49.385 106.178-113.562
+ 95.036 67.643 0.000 0.000
+ 123.078 -77.885 138.177-166.426
+ 118.031-108.076 115.253-120.164
+ 117.864-137.724 117.347-121.022
+ 93.144 57.765 101.953-102.994
+ 93.333 0.000 115.860 -76.690
+ # 108 total E -2.06280E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.820 109.044 -81.095
+ 119.120-116.377 148.424 -31.073
+ 92.467 56.846 133.725 107.416
+ 92.111 43.278 137.580 -82.297
+ 91.528 44.579 140.086-158.867
+ 92.367 49.802 150.248 3.752
+ 91.949 59.863 150.877-134.065
+ 92.943 136.037 107.078 119.149
+ 118.354 -63.521 134.983 -37.727
+ 127.166 -15.017 0.000 0.000
+ 129.538 -62.852 0.000 0.000
+ 102.224 -29.527 126.753-144.655
+ 91.098 95.102 112.920 -74.194
+ 91.103 -15.750 110.545 -75.960
+ 101.673 -63.411 0.000 0.000
+ 126.196 -48.437 155.166 -45.423
+ 119.183-142.688 117.773-123.185
+ 119.712-114.535 108.530-106.016
+ 92.975 62.130 104.679-119.132
+ 93.331 0.000 114.751 -76.771
+ # 109 total E -2.06971E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.288 109.169 -80.052
+ 92.497 161.293 164.423 166.620
+ 92.473 77.519 166.256 14.294
+ 92.488 42.258 98.819 -77.357
+ 91.510 49.800 142.698-121.928
+ 92.310 45.841 139.019 -55.001
+ 91.923 57.974 166.519-169.121
+ 93.004 115.794 99.923 114.777
+ 115.867 -94.417 140.536 -23.082
+ 94.877 56.890 0.000 0.000
+ 95.382 40.509 0.000 0.000
+ 92.626 46.307 86.773-100.792
+ 91.921 48.414 109.577 -85.140
+ 93.161 47.407 108.255-118.234
+ 95.011 67.488 0.000 0.000
+ 122.977 -77.915 137.553-171.896
+ 118.005-107.989 115.117-119.789
+ 117.936-137.815 117.246-120.873
+ 93.127 57.797 102.269-103.817
+ 93.333 0.000 115.868 -76.658
+ # 110 total E -2.12233E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 48.935 109.114 -80.019
+ 92.509 161.902 165.327 165.011
+ 92.335 78.280 166.763 16.905
+ 92.228 43.106 100.311 -77.510
+ 91.298 49.001 141.823-123.080
+ 92.074 42.148 140.811 -44.535
+ 91.513 57.640 162.097-179.221
+ 91.855 74.262 88.675 -58.904
+ 93.351 101.270 136.336 13.978
+ 128.212 -14.435 0.000 0.000
+ 125.930 -71.555 0.000 0.000
+ 111.069 -53.163 98.035 -88.031
+ 89.758 75.985 112.220 -74.189
+ 90.682 2.301 110.956 -76.246
+ 102.977 -70.587 0.000 0.000
+ 128.629 -44.130 153.414 52.597
+ 122.146-163.082 110.842-115.883
+ 92.838 117.623 103.341-103.110
+ 93.510 97.812 86.945 -94.227
+ 93.358 0.000 115.421 -71.601
+ # 111 total E -2.09537E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.414 109.187 -80.049
+ 92.504 161.518 163.624 161.555
+ 92.397 79.250 166.326 18.511
+ 92.210 43.390 100.199 -78.177
+ 91.315 48.903 132.795-109.026
+ 92.099 44.209 142.168 -37.144
+ 91.540 56.928 162.450 176.965
+ 91.506 80.155 93.255 -68.015
+ 93.043 38.400 138.394 -7.016
+ 95.113 66.030 0.000 0.000
+ 128.928 -46.618 0.000 0.000
+ 92.403 69.563 99.935-103.818
+ 92.456 25.529 104.615 -74.009
+ 95.417-113.716 111.340 -82.264
+ 95.932 155.806 0.000 0.000
+ 128.866-104.405 104.396 -52.945
+ 117.340-106.935 126.508-135.154
+ 118.185-137.658 110.891-111.409
+ 93.129 58.008 102.867-110.333
+ 93.333 0.000 115.822 -76.604
+ # 112 total E -2.11030E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.630 48.869 112.618 -83.715
+ 92.049 83.325 132.005 141.668
+ 91.948 67.944 166.496 15.330
+ 91.879 43.767 92.492 -72.000
+ 91.146 48.205 123.374 -55.523
+ 92.098 46.423 150.143 -32.105
+ 91.512 58.034 162.366-170.037
+ 92.113 62.845 108.175 -95.566
+ 93.343 104.876 137.549 18.178
+ 129.802 -13.169 0.000 0.000
+ 125.870 -69.730 0.000 0.000
+ 112.441 -52.853 114.060-119.675
+ 89.610 75.149 112.330 -74.258
+ 90.810 2.922 110.443 -76.461
+ 102.677 -72.192 0.000 0.000
+ 128.034 -45.836 156.529 49.412
+ 122.277-162.166 116.807-121.814
+ 92.830 115.513 103.895 -97.540
+ 93.362 26.669 90.557 -96.433
+ 93.355 0.000 118.022 -76.325
+ # 113 total E -2.09854E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.389 109.190 -80.054
+ 92.505 161.613 163.562 162.275
+ 92.433 79.432 165.954 19.551
+ 92.207 43.268 100.585 -79.047
+ 91.321 49.685 135.549-116.655
+ 92.139 45.228 142.375 -32.168
+ 91.679 59.256 162.522 178.045
+ 91.735 85.668 90.617 -69.341
+ 93.148 71.451 128.646 30.411
+ 95.132 80.792 0.000 0.000
+ 130.958 -80.688 0.000 0.000
+ 130.570 101.888 115.004-111.639
+ 92.519 -36.713 124.090 -14.685
+ 91.046 -42.890 114.745 -76.238
+ 94.009 76.092 0.000 0.000
+ 129.529-122.541 121.261 -36.013
+ 116.799-105.359 123.579-133.094
+ 117.164-141.040 112.708-114.031
+ 93.241 57.669 130.908-157.267
+ 93.332 0.000 115.878 -76.445
+ # 114 total E -2.00440E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.644 109.192 -80.060
+ 92.502 161.101 163.563 164.411
+ 92.522 79.785 165.739 19.063
+ 92.316 43.145 100.510 -80.127
+ 91.403 51.340 124.781 -74.069
+ 92.400 50.136 150.060 -30.556
+ 91.808 56.556 162.317-178.354
+ 92.679 91.070 106.613-103.985
+ 93.636 -82.653 97.709 -69.058
+ 94.439 166.392 0.000 0.000
+ 135.774 -50.807 0.000 0.000
+ 109.644 -29.833 127.034-141.114
+ 91.765 94.371 112.928 -74.320
+ 91.855 -20.989 104.003 -76.751
+ 110.453 -35.249 0.000 0.000
+ 132.429 -72.764 80.186 -67.368
+ 117.143-111.826 123.643-130.517
+ 118.115-115.887 114.982-116.657
+ 117.700-115.808 123.672-131.199
+ 121.611 0.000 121.473 -79.847
+ # 115 total E -2.09451E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.634 50.033 111.256 -81.966
+ 92.070 75.801 144.053-137.373
+ 92.500 52.681 131.707 110.090
+ 92.415 43.436 144.068 -86.565
+ 91.439 43.543 132.352 -60.752
+ 92.286 57.572 152.916 -3.796
+ 91.451 43.086 150.509-131.177
+ 92.984 72.809 93.863-103.350
+ 93.893 -93.143 136.383 -17.316
+ 94.651 155.650 0.000 0.000
+ 135.685 -53.530 0.000 0.000
+ 92.388 61.592 100.407 -99.830
+ 92.742 48.171 105.567 -74.061
+ 93.612 50.170 105.799 -81.353
+ 95.002 67.074 0.000 0.000
+ 122.841 -77.588 137.939-164.702
+ 118.026-108.065 115.228-120.134
+ 117.901-137.701 117.274-120.901
+ 93.135 57.847 102.075-103.358
+ 93.334 0.000 115.861 -76.660
+ # 116 total E -2.00028E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.660 109.262 -80.086
+ 92.494 160.468 162.457 163.013
+ 92.580 81.025 164.986 21.827
+ 92.310 42.589 101.616 -82.459
+ 91.395 51.953 124.403 -74.971
+ 92.361 49.170 150.106 -29.909
+ 91.785 55.520 163.438-172.060
+ 92.882 82.004 106.063-103.421
+ 93.534 -95.845 101.697 -66.083
+ 94.305 132.733 0.000 0.000
+ 133.726 -57.558 0.000 0.000
+ 117.157-131.044 130.073-139.691
+ 125.208-124.488 129.983 -24.725
+ 93.785 57.086 113.896 -79.115
+ 95.181 75.944 0.000 0.000
+ 124.772 -81.891 88.149 -64.819
+ 116.578-106.204 125.086-133.912
+ 118.173-139.282 110.555-110.963
+ 93.083 57.735 104.710-111.462
+ 93.333 0.000 115.857 -76.577
+ # 117 total E -2.00960E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.174 109.151 -80.033
+ 92.505 161.649 164.382 163.295
+ 92.369 78.886 166.426 18.140
+ 92.177 43.311 100.267 -77.963
+ 91.284 48.718 137.816-116.856
+ 92.002 43.186 141.731 -38.105
+ 91.417 53.883 162.304 176.658
+ 91.228 72.300 88.396 -61.642
+ 92.301 44.568 133.589 6.438
+ 94.560 49.411 0.000 0.000
+ 95.023 43.761 0.000 0.000
+ 92.798 43.717 95.886 -99.797
+ 93.329 96.576 107.602 -85.633
+ 92.619 -12.984 126.741-162.203
+ 102.856 -82.557 0.000 0.000
+ 122.085-115.368 110.735 -45.691
+ 116.829-106.349 123.250-130.783
+ 118.155-137.742 111.049-111.828
+ 93.131 57.978 102.844-109.971
+ 93.333 0.000 115.862 -76.571
+ # 118 total E -2.09662E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.309 109.148 -80.035
+ 92.504 161.665 164.366 163.267
+ 92.361 78.804 166.464 18.129
+ 92.164 43.315 100.163 -77.809
+ 91.278 48.540 137.317-115.594
+ 91.991 43.070 141.758 -37.928
+ 91.385 52.995 162.402 176.336
+ 91.172 69.767 88.193 -61.266
+ 92.260 43.920 134.104 5.653
+ 94.429 49.165 0.000 0.000
+ 94.921 41.799 0.000 0.000
+ 92.183 46.298 95.173 -98.381
+ 91.884 49.455 110.354 -84.069
+ 92.977 47.833 108.797-120.276
+ 94.993 67.204 0.000 0.000
+ 122.332 -78.016 137.539-166.359
+ 118.030-108.048 115.058-119.698
+ 117.934-137.676 117.253-120.897
+ 93.133 57.826 102.180-103.672
+ 93.334 0.000 115.864 -76.656
+ # 119 total E -2.00749E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 47.407 108.954 -80.555
+ 92.491 166.052 165.095 -21.766
+ 92.613 74.847 174.980 16.189
+ 92.080 44.823 108.201 -56.840
+ 91.247 45.498 121.968 -44.791
+ 92.149 43.763 148.509 -41.189
+ 91.331 56.284 156.216-160.997
+ 91.428 79.804 106.441 -84.306
+ 92.309 39.480 136.097 5.970
+ 94.145 52.840 0.000 0.000
+ 94.147 49.601 0.000 0.000
+ 91.731 50.169 98.021-110.193
+ 92.342 51.671 104.236 -81.187
+ 94.978-102.419 109.860 -84.025
+ 95.425 155.680 0.000 0.000
+ 129.498 -84.286 86.466 -64.315
+ 116.749-106.848 125.897-134.875
+ 118.438-119.494 109.786-109.937
+ 117.826-115.777 120.061-124.783
+ 121.615 0.000 121.417 -79.897
+ # 120 total E -2.05455E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.202 109.231 -80.059
+ 92.501 161.300 162.812 162.785
+ 92.541 79.706 165.078 21.089
+ 92.279 42.777 101.596 -82.334
+ 91.279 50.839 125.381 -74.230
+ 92.236 47.162 151.562 -28.771
+ 91.443 63.959 163.228 175.476
+ 92.047 60.944 113.263-107.908
+ 93.682 109.737 160.355 -15.535
+ 127.632 -77.515 0.000 0.000
+ 125.735 -60.342 0.000 0.000
+ 91.701 52.967 101.276-105.364
+ 92.697 26.984 108.751 -74.156
+ 105.525 -87.532 144.674 -41.772
+ 126.900 0.311 0.000 0.000
+ 132.515 -80.248 121.324 -53.240
+ 118.981-105.036 124.890-131.056
+ 117.328-138.624 116.463-119.316
+ 93.264 58.140 126.538-150.796
+ 93.333 0.000 115.701 -76.573
+ # 121 total E -2.03827E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.627 41.502 111.276 -84.509
+ 92.529 157.040 142.714-174.242
+ 93.671 95.301 124.624 -43.357
+ 92.214 -0.691 82.276 -81.370
+ 91.450 -87.493 141.033-112.009
+ 102.895 171.366 84.367-121.363
+ 91.987 74.498 157.927 173.346
+ 92.726 60.108 114.030-129.152
+ 93.958-179.953 131.997 -10.247
+ 94.237 118.690 0.000 0.000
+ 132.742 -62.820 0.000 0.000
+ 112.277 -40.829 122.548-132.653
+ 91.364 88.967 113.194 -74.458
+ 91.851 -15.363 103.091 -74.153
+ 111.747 -31.808 0.000 0.000
+ 133.584 -76.442 109.976 -60.806
+ 118.224-109.995 119.720-123.804
+ 117.733-137.342 119.030-122.607
+ 93.205 58.365 128.562-151.551
+ 93.334 0.000 115.721 -76.549
+ # 122 total E -2.11132E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.722 108.851 -80.958
+ 118.367-118.310 153.453 -33.081
+ 92.634 53.258 142.781 103.123
+ 92.243 44.238 125.192 -71.717
+ 91.556 43.544 139.804-150.079
+ 92.345 43.295 147.830 -32.221
+ 91.382 55.586 155.447-167.852
+ 91.843 76.559 85.809 -62.974
+ 93.315 101.319 134.322 8.131
+ 127.965 -15.995 0.000 0.000
+ 125.883 -71.191 0.000 0.000
+ 111.042 -52.969 98.007 -87.433
+ 89.805 76.527 112.546 -74.427
+ 90.709 1.739 110.793 -76.251
+ 102.891 -70.069 0.000 0.000
+ 128.986 -44.447 140.140 169.915
+ 122.150-161.818 108.771-112.703
+ 92.748 116.091 103.075-104.055
+ 93.514 22.513 84.621 -91.033
+ 93.379 0.000 120.160 -77.521
+ # 123 total E -2.11624E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.755 108.977 -81.140
+ 118.847-118.369 148.504 -31.742
+ 92.517 55.434 135.132 108.376
+ 92.086 45.345 137.884 -83.515
+ 91.366 43.438 129.476 -50.030
+ 92.339 49.042 154.821 -14.988
+ 91.422 59.257 148.962-140.991
+ 92.140 63.685 108.487-105.997
+ 93.697 135.904 135.907 -3.011
+ 130.278 -68.304 0.000 0.000
+ 127.845 -48.300 0.000 0.000
+ 107.205 -29.584 127.195-142.747
+ 91.449 98.118 113.225 -74.474
+ 91.645 -20.777 104.833 -77.170
+ 106.753 -46.132 0.000 0.000
+ 129.432 -62.921 104.101 -61.945
+ 118.631-111.017 125.922-131.792
+ 117.676-137.914 116.542-119.581
+ 93.190 58.305 128.145-152.017
+ 93.333 0.000 115.481 -76.754
+ # 124 total E -2.06465E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.744 109.449 -80.201
+ 92.496 159.351 159.780 160.333
+ 92.827 81.881 164.385 19.560
+ 92.862 40.293 100.474 -82.641
+ 91.767 59.264 114.050 -92.609
+ 93.014 61.624 140.429 -22.655
+ 92.610 113.213 160.412-162.461
+ 91.067 -28.634 131.356-142.992
+ 90.543 -59.054 102.034 -64.214
+ 93.147 15.056 0.000 0.000
+ 114.154 -57.331 0.000 0.000
+ 97.780 -31.454 97.578 -97.463
+ 93.484 99.546 113.015 -75.240
+ 125.583-114.635 114.907 -82.411
+ 119.017 177.694 0.000 0.000
+ 129.684 -91.777 99.746 -61.057
+ 116.959-106.877 124.029-132.605
+ 118.244-138.157 110.246-110.511
+ 93.124 57.966 104.030-113.459
+ 93.333 0.000 115.834 -76.590
+ # 125 total E -2.00045E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 50.045 109.591 -80.269
+ 92.526 165.668 156.312 141.209
+ 92.737 82.700 156.503 41.503
+ 92.537 43.086 111.451 -98.564
+ 91.406 54.881 129.165 -90.504
+ 92.426 56.469 152.967 -14.658
+ 91.415 77.504 161.172-149.509
+ 91.854 68.668 115.991-135.299
+ 93.688 23.907 139.621 -17.737
+ 121.759 -14.351 0.000 0.000
+ 124.871 -59.530 0.000 0.000
+ 123.187 146.049 118.738-121.144
+ 93.566 80.033 109.182 -80.644
+ 94.300 55.445 125.702-151.960
+ 95.394 73.958 0.000 0.000
+ 123.300 -87.122 89.927 -61.665
+ 117.041-106.598 126.548-135.418
+ 117.917-138.837 110.888-111.488
+ 93.237 47.650 100.192-107.468
+ 93.370 0.000 120.352 -78.801
+ # 126 total E -2.04653E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.719 109.261 -80.020
+ 92.502 161.545 164.772 167.985
+ 92.394 76.933 166.814 13.254
+ 92.379 43.640 98.491 -76.885
+ 91.470 47.848 144.002-124.280
+ 92.238 43.277 135.609 -85.497
+ 91.550 57.971 163.524-178.452
+ 92.372 94.100 120.043 154.283
+ 94.476 34.149 135.621 -19.314
+ 143.274 -97.164 0.000 0.000
+ 133.082 -40.091 0.000 0.000
+ 105.879 -29.228 98.560 -95.074
+ 91.719 97.167 112.886 -74.280
+ 91.680 -19.414 105.286 -76.215
+ 106.808 -43.304 0.000 0.000
+ 130.324 -62.323 145.820 61.427
+ 118.620-113.984 113.108-116.352
+ 118.775-137.116 123.995-129.673
+ 93.088 57.895 96.465 -97.866
+ 93.334 0.000 115.638 -76.892
+ # 127 total E -2.03371E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.701 108.903 -81.000
+ 118.576-117.379 152.049 -32.310
+ 92.588 53.953 140.666 104.491
+ 92.169 44.636 128.440 -74.367
+ 91.522 42.649 136.651-147.836
+ 92.208 44.993 147.694 -23.189
+ 91.186 51.296 155.448-164.536
+ 91.110 68.836 81.841 -63.933
+ 92.252 43.302 134.095 5.600
+ 94.421 48.591 0.000 0.000
+ 94.881 41.815 0.000 0.000
+ 92.168 46.243 94.772 -98.902
+ 91.885 49.385 110.389 -83.864
+ 92.978 47.951 108.823-120.200
+ 94.999 67.453 0.000 0.000
+ 122.548 -78.118 137.724-166.634
+ 118.025-109.663 115.831-120.927
+ 117.986-118.101 113.481-115.470
+ 117.764-115.833 122.153-127.824
+ 121.616 0.000 121.480 -79.863
+ # 128 total E -2.09368E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.446 109.156 -80.040
+ 92.504 161.510 164.172 162.863
+ 92.389 79.082 166.379 18.121
+ 92.216 43.329 100.342 -78.202
+ 91.318 49.105 136.773-115.358
+ 92.111 43.920 141.717 -38.414
+ 91.573 58.100 162.310 178.104
+ 91.568 84.788 91.442 -65.630
+ 93.122 39.134 135.853 -18.904
+ 95.455 70.550 0.000 0.000
+ 130.093 -69.817 0.000 0.000
+ 92.593 66.421 132.443-159.380
+ 93.409 17.082 114.766 -78.497
+ 97.202 -92.721 121.178-141.266
+ 129.218-174.506 0.000 0.000
+ 129.737 -83.328 89.836 -65.414
+ 116.780-107.134 124.258-132.991
+ 118.213-137.878 109.647-109.722
+ 93.117 58.044 103.397-114.511
+ 93.333 0.000 115.832 -76.569
+ # 129 total E -2.05022E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 50.006 109.428 -80.189
+ 92.495 159.318 160.143 160.986
+ 92.833 82.018 164.038 20.769
+ 92.788 40.734 100.748 -82.918
+ 91.667 59.618 113.945 -87.151
+ 92.887 58.166 144.109 -26.464
+ 92.578 113.335 158.489-159.859
+ 90.872 -30.205 133.733-142.176
+ 91.286 -57.344 80.712 -82.815
+ 92.821 13.312 0.000 0.000
+ 116.627 -73.316 0.000 0.000
+ 94.153 40.563 81.980 -69.414
+ 121.380 -66.918 134.316 11.283
+ 92.993 -21.572 115.642 -75.622
+ 95.761 111.744 0.000 0.000
+ 134.874-142.015 126.986 -27.855
+ 117.717-104.687 125.143-133.160
+ 118.257-137.948 109.858-110.046
+ 93.163 58.120 102.681-112.737
+ 93.333 0.000 115.807 -76.566
+ # 130 total E -2.00102E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.387 109.119 -80.023
+ 92.508 161.755 165.004 165.407
+ 92.409 78.812 166.362 17.967
+ 92.222 43.629 100.471 -78.624
+ 91.299 49.891 123.759 -69.602
+ 92.272 46.877 150.995 -29.696
+ 91.529 57.745 161.147 177.434
+ 92.100 68.479 108.467-100.283
+ 93.056 66.754 138.084 -16.993
+ 127.003 10.292 0.000 0.000
+ 130.311 -31.055 0.000 0.000
+ 92.716 72.110 100.943-104.723
+ 92.324 17.344 105.897 -74.007
+ 109.449-108.478 104.848 -84.866
+ 95.876 157.944 0.000 0.000
+ 129.402 -99.530 100.579 -56.495
+ 117.220-107.021 125.757-134.364
+ 118.198-137.812 110.406-110.761
+ 93.119 58.016 103.049-112.355
+ 93.334 0.000 115.823 -76.588
+ # 131 total E -2.05344E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 48.441 108.836 -80.066
+ 92.563 165.547 176.437-163.849
+ 91.919 75.814 170.035 13.899
+ 92.066 44.450 102.363 -65.048
+ 91.233 46.925 122.532 -56.122
+ 92.159 43.415 149.119 -38.847
+ 91.328 57.530 159.152-170.363
+ 91.435 80.623 108.021 -86.964
+ 92.299 39.690 132.953 11.393
+ 94.070 50.828 0.000 0.000
+ 94.298 46.089 0.000 0.000
+ 91.827 47.707 97.868-106.439
+ 92.250 54.008 109.825 -86.703
+ 94.378-102.315 109.767-125.067
+ 95.339 153.313 0.000 0.000
+ 129.865 -83.745 87.403 -63.758
+ 116.499-104.748 126.139-135.146
+ 118.617-138.133 111.436-112.106
+ 93.127 57.517 103.164-107.900
+ 93.335 0.000 115.894 -76.765
+ # 132 total E -2.04968E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 48.471 109.504 -80.551
+ 92.589 83.205 157.584 171.274
+ 93.746 112.703 125.586 -40.098
+ 124.865 -92.955 94.370 -92.139
+ 91.231 69.135 121.005 -94.649
+ 92.320 55.740 152.392 -23.001
+ 91.523 62.541 135.551 -60.655
+ 92.290 65.527 108.942-120.053
+ 93.703 138.583 136.308 -6.357
+ 130.130 -67.118 0.000 0.000
+ 128.130 -46.810 0.000 0.000
+ 107.195 -28.960 127.475-143.249
+ 91.510 98.536 113.233 -74.467
+ 91.638 -21.123 105.028 -76.871
+ 107.037 -45.941 0.000 0.000
+ 128.922 -63.198 104.592 -61.884
+ 118.561-110.717 125.472-131.188
+ 117.650-137.984 116.905-120.131
+ 93.192 58.311 128.179-152.132
+ 93.333 0.000 115.493 -76.737
+ # 133 total E -2.05480E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.641 47.489 108.115 -79.547
+ 92.739 157.919 144.360-109.845
+ 132.084 -95.773 105.449 -99.287
+ 93.772 44.042 166.088-177.082
+ 91.563 43.412 133.195 -72.868
+ 92.445 52.379 154.506 -16.755
+ 91.268 57.472 136.404-116.845
+ 92.204 65.222 107.033-107.118
+ 93.344 104.153 137.915 4.097
+ 130.034 -15.798 0.000 0.000
+ 125.874 -71.061 0.000 0.000
+ 110.303 -50.519 97.612 -87.241
+ 89.937 78.004 112.603 -74.444
+ 90.829 0.477 109.916 -76.401
+ 102.357 -70.852 0.000 0.000
+ 129.633 -45.331 138.898 170.288
+ 120.990-146.361 107.705-108.864
+ 118.775-113.482 112.973-113.983
+ 93.049 61.844 104.204-113.437
+ 93.335 0.000 115.207 -76.687
+ # 134 total E -2.00592E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.633 50.169 111.582 -82.208
+ 92.475 89.042 137.249 139.514
+ 93.913 106.510 166.285 2.470
+ 126.300-101.132 111.573 -87.739
+ 91.346 67.275 121.988-129.569
+ 92.139 68.337 140.466 -37.947
+ 91.700 57.599 114.951 -71.442
+ 92.204 98.274 98.981 -94.362
+ 93.233 70.032 128.744 31.682
+ 95.109 80.876 0.000 0.000
+ 130.576 -80.445 0.000 0.000
+ 130.646 101.253 114.928-111.482
+ 92.516 -36.765 124.137 -14.504
+ 91.042 -42.889 114.753 -76.235
+ 94.017 75.845 0.000 0.000
+ 129.669-120.828 121.259 -36.540
+ 116.886-105.743 125.063-135.242
+ 117.480-140.625 112.907-114.023
+ 93.227 57.769 131.466-157.353
+ 93.333 0.000 115.860 -76.444
+ # 135 total E -2.02686E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.427 109.192 -80.055
+ 92.493 160.875 163.611 163.929
+ 92.486 78.155 166.197 15.680
+ 92.365 43.032 100.306 -80.303
+ 91.370 50.051 126.210 -73.627
+ 92.216 50.936 151.389 -26.232
+ 91.617 54.716 162.830 166.398
+ 92.157 78.023 105.352-104.413
+ 93.522 15.855 138.593 -17.143
+ 126.090-147.850 0.000 0.000
+ 94.687 65.570 0.000 0.000
+ 92.195 60.558 100.117-109.363
+ 92.054 48.470 105.742 -81.095
+ 93.168 51.086 112.651-117.502
+ 94.902 68.168 0.000 0.000
+ 122.279 -73.652 137.244-164.742
+ 118.020-107.469 115.255-120.088
+ 118.068-136.204 117.134-120.676
+ 93.137 58.357 99.276-101.675
+ 93.333 0.000 115.743 -76.578
+ # 136 total E -2.02620E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.303 109.182 -80.054
+ 92.496 161.171 164.285 166.052
+ 92.477 77.527 166.248 14.112
+ 92.488 42.284 98.801 -77.387
+ 91.513 49.792 142.662-121.890
+ 92.312 45.884 138.992 -55.171
+ 91.924 57.956 166.491-169.395
+ 93.002 115.864 99.938 114.793
+ 115.832 -94.451 140.510 -23.106
+ 94.875 56.907 0.000 0.000
+ 95.380 40.516 0.000 0.000
+ 92.628 46.307 86.785-100.783
+ 91.931 48.372 109.593 -85.232
+ 93.165 47.607 108.175-118.155
+ 95.020 67.704 0.000 0.000
+ 123.164 -78.102 137.672-171.968
+ 117.999-109.545 115.898-121.028
+ 117.989-118.652 113.400-115.352
+ 117.739-115.830 122.554-128.400
+ 121.615 0.000 121.478 -79.861
+ # 137 total E -2.01693E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.633 50.022 111.604 -82.245
+ 92.477 88.935 137.281 139.955
+ 93.942 106.970 166.179 2.452
+ 126.432-101.029 111.833 -88.111
+ 91.344 66.940 121.882-128.097
+ 92.111 65.140 139.375 -47.542
+ 91.551 60.496 113.797 -69.102
+ 92.114 96.163 105.743 -96.648
+ 93.333 36.035 138.576 -7.004
+ 95.341 72.763 0.000 0.000
+ 131.727 -61.050 0.000 0.000
+ 92.887 66.946 101.792-109.395
+ 93.192 40.919 107.927 -76.064
+ 93.884 53.631 108.991 -83.501
+ 94.754 65.789 0.000 0.000
+ 122.311 -76.493 139.180-168.281
+ 117.973-107.955 115.404-120.493
+ 117.927-137.764 117.272-120.865
+ 93.128 57.830 101.968-103.398
+ 93.333 0.000 115.855 -76.658
+ # 138 total E -1.99807E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.434 109.394 -80.159
+ 92.498 159.646 160.728 162.067
+ 92.795 81.698 164.285 20.314
+ 92.736 40.850 100.465 -82.227
+ 91.630 59.377 114.181 -85.250
+ 92.861 56.256 144.723 -27.603
+ 92.623 113.327 157.918-156.859
+ 91.094 -28.484 134.954-141.869
+ 90.873 -58.187 89.600 -72.328
+ 92.952 13.675 0.000 0.000
+ 113.104 -64.424 0.000 0.000
+ 95.658 -27.592 99.112 -98.478
+ 93.500 119.294 113.355 -75.413
+ 94.389 119.447 125.218-134.218
+ 135.472-100.092 0.000 0.000
+ 127.592 -92.101 95.905 -59.793
+ 117.063-107.276 125.696-134.368
+ 118.175-137.458 110.513-110.892
+ 93.135 58.159 102.989-111.270
+ 93.333 0.000 115.841 -76.571
+ # 139 total E -2.02961E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.527 109.263 -80.081
+ 92.504 160.267 162.819 163.767
+ 92.645 80.428 164.942 19.749
+ 92.605 40.816 100.538 -80.767
+ 91.442 59.869 116.732 -68.937
+ 92.699 49.586 146.971 -33.449
+ 92.559 111.466 154.724-149.054
+ 91.322 -29.675 138.159-133.180
+ 91.206 -58.801 91.913-102.667
+ 93.283 13.598 0.000 0.000
+ 116.938-104.251 0.000 0.000
+ 92.729 35.168 100.806-100.580
+ 94.806 95.405 111.402 -74.710
+ 92.698 -11.023 120.414 -78.244
+ 104.488 -96.061 0.000 0.000
+ 126.190-115.714 112.637 -44.535
+ 116.784-106.624 140.963-158.342
+ 118.113-137.231 111.612-112.715
+ 93.150 58.081 102.268-106.994
+ 93.333 0.000 115.855 -76.578
+ # 140 total E -2.03693E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.616 109.221 -80.010
+ 92.506 158.263 163.205 157.202
+ 92.341 78.475 166.226 18.229
+ 92.175 45.777 101.082 -79.548
+ 91.263 47.856 124.143 -69.929
+ 92.289 50.341 151.792 -24.054
+ 91.679 59.129 155.036 151.903
+ 92.327 93.767 108.080-104.813
+ 94.004 -93.232 130.529 -31.011
+ 131.190 -50.056 0.000 0.000
+ 94.486 70.645 0.000 0.000
+ 92.090 52.804 87.819 -88.627
+ 91.892 50.281 108.955 -80.866
+ 92.816 62.427 109.196-116.589
+ 94.834 75.271 0.000 0.000
+ 120.662 -83.592 91.854 -60.350
+ 117.368-106.946 127.896-136.920
+ 118.092-135.342 111.110-111.838
+ 93.146 58.557 98.418-104.303
+ 93.331 0.000 115.916 -76.314
+ # 141 total E -1.99552E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.467 109.228 -80.065
+ 92.500 160.931 162.878 160.624
+ 92.461 79.857 165.784 19.832
+ 92.242 43.319 100.738 -79.585
+ 91.330 49.923 133.840-114.577
+ 92.129 45.063 142.443 -32.041
+ 91.603 60.064 162.316 179.428
+ 91.711 74.141 91.318 -69.847
+ 92.867 84.421 139.728 9.452
+ 94.584 65.260 0.000 0.000
+ 122.147 -89.755 0.000 0.000
+ 121.262 15.643 110.234-112.432
+ 92.045 -53.906 110.597 -74.148
+ 91.153 -2.359 127.578 34.485
+ 123.408 -25.215 0.000 0.000
+ 122.558 -76.946 86.568 -66.232
+ 116.869-108.134 120.900-126.761
+ 118.086-137.633 112.059-113.343
+ 93.121 58.051 103.466-110.940
+ 93.333 0.000 115.823 -76.584
+ # 142 total E -1.99666E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.530 109.345 -80.133
+ 92.491 159.496 161.244 162.440
+ 92.708 80.949 164.686 20.163
+ 92.552 41.477 100.397 -81.999
+ 91.558 54.765 130.573 -96.900
+ 92.540 57.819 151.355 -31.601
+ 91.773 69.417 162.728-178.188
+ 92.400 140.119 113.590-124.616
+ 93.400 -69.210 138.406 -24.556
+ 94.939 56.900 0.000 0.000
+ 134.459 -86.210 0.000 0.000
+ 117.247 -84.173 121.275-128.385
+ 93.065 68.137 109.797 -74.312
+ 94.310 49.726 113.871 -76.885
+ 95.623 77.010 0.000 0.000
+ 122.949 -85.249 123.789 148.201
+ 118.122-108.409 119.534-127.393
+ 118.128-137.630 117.089-119.888
+ 93.145 57.802 101.169 -99.848
+ 93.334 0.000 115.877 -76.667
+ # 143 total E -1.99857E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.623 109.399 -80.198
+ 92.483 160.097 160.553 165.449
+ 92.904 78.766 164.492 14.638
+ 92.919 40.311 99.228 -83.293
+ 91.895 54.964 126.935 -86.036
+ 93.516 63.069 151.989 9.820
+ 91.845 70.655 168.172-164.967
+ 114.187 -36.773 114.456-126.035
+ 94.519 131.683 139.319 -12.614
+ 131.423 -4.803 0.000 0.000
+ 127.015 -70.197 0.000 0.000
+ 113.768 -54.504 119.539-127.084
+ 89.539 73.312 112.366 -74.267
+ 90.651 4.695 111.684 -76.665
+ 103.735 -69.563 0.000 0.000
+ 129.435 -50.755 162.904 -21.583
+ 119.576-112.568 118.273-123.091
+ 118.790-136.824 122.365-126.081
+ 93.050 58.140 100.622 -99.414
+ 93.333 0.000 115.673 -76.762
+ # 144 total E -2.01569E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.657 122.384 108.649 -81.143
+ 118.487-116.769 152.825 -36.843
+ 92.630 52.872 142.922 102.846
+ 91.971 44.859 125.292 -74.145
+ 91.295 43.592 128.504 -46.863
+ 92.244 50.044 156.127 -18.841
+ 91.562 58.209 151.760 164.758
+ 92.224 90.761 107.511-104.053
+ 93.889 -92.726 130.005 -31.173
+ 131.355 -51.509 0.000 0.000
+ 94.520 71.176 0.000 0.000
+ 92.126 52.919 87.385 -88.218
+ 91.888 50.312 108.151 -80.475
+ 92.821 63.590 110.136-117.195
+ 94.774 72.073 0.000 0.000
+ 119.484 -85.816 96.127 -56.361
+ 117.235-107.523 129.769-139.473
+ 118.311-135.907 111.095-111.476
+ 93.099 58.683 99.252-103.415
+ 93.334 0.000 115.886 -76.335
+ # 145 total E -2.02026E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.407 109.141 -80.033
+ 92.504 161.528 164.453 163.336
+ 92.371 78.765 166.434 17.920
+ 92.194 43.236 100.256 -77.961
+ 91.287 49.052 139.123-118.733
+ 92.023 43.205 141.480 -39.201
+ 91.481 54.802 162.259 178.679
+ 91.384 76.145 87.983 -61.033
+ 92.434 53.116 133.662 4.984
+ 94.496 50.511 0.000 0.000
+ 94.830 66.772 0.000 0.000
+ 114.086 -29.783 115.600-122.462
+ 93.039 72.487 112.117 -75.050
+ 94.230 27.494 119.408-117.529
+ 96.200 78.995 0.000 0.000
+ 124.304 -79.584 136.335-169.174
+ 118.101-108.142 114.911-119.299
+ 117.959-137.626 117.297-120.979
+ 93.137 57.840 102.142-103.595
+ 93.334 0.000 115.867 -76.656
+ # 146 total E -2.00173E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.644 48.199 108.047 -79.351
+ 92.740 154.743 142.038-100.986
+ 131.934 -94.689 101.081 -98.872
+ 93.721 44.134 164.147-164.571
+ 91.655 43.502 143.271-111.572
+ 92.415 56.456 150.380 10.665
+ 91.787 59.637 139.077-119.697
+ 92.958 136.249 107.470 120.898
+ 117.849 -63.731 134.905 -36.572
+ 127.201 -14.994 0.000 0.000
+ 129.666 -62.689 0.000 0.000
+ 102.354 -29.568 126.532-144.182
+ 91.087 95.054 112.926 -74.201
+ 91.103 -15.729 110.381 -76.033
+ 101.825 -63.085 0.000 0.000
+ 126.233 -48.764 153.161 -46.481
+ 119.207-142.525 116.087-120.110
+ 119.720-114.411 108.611-106.239
+ 92.975 62.110 104.353-118.839
+ 93.333 0.000 114.757 -76.773
+ # 147 total E -2.07649E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.664 108.934 -81.120
+ 118.654-118.403 149.255 -32.508
+ 92.544 54.581 136.587 107.340
+ 92.078 45.937 135.040 -79.557
+ 91.431 42.287 127.131 -47.311
+ 92.563 46.327 154.129 -23.421
+ 91.523 57.078 150.766-145.774
+ 91.896 90.530 107.579 -96.276
+ 93.272 34.092 138.221 -28.654
+ 95.433 72.784 0.000 0.000
+ 130.565 -60.691 0.000 0.000
+ 92.522 65.342 131.619-158.057
+ 93.133 18.048 108.575 -74.940
+ 97.010 -93.531 102.322 -75.424
+ 126.755-175.074 0.000 0.000
+ 129.737 -83.917 90.515 -65.052
+ 116.801-107.165 124.219-132.882
+ 118.208-137.858 109.717-109.818
+ 93.118 58.109 103.335-114.225
+ 93.333 0.000 115.831 -76.570
+ # 148 total E -2.01710E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.342 109.156 -80.033
+ 92.506 161.647 164.385 164.748
+ 92.448 79.104 166.028 18.729
+ 92.234 43.581 100.776 -79.656
+ 91.300 50.137 124.011 -70.866
+ 92.316 47.114 150.992 -29.347
+ 91.591 58.848 161.392 176.814
+ 92.108 71.540 109.092-101.984
+ 93.184 112.022 150.163 -33.256
+ 126.987 -54.816 0.000 0.000
+ 124.366 -80.139 0.000 0.000
+ 92.013 42.879 131.349-157.442
+ 93.611 41.939 109.514 -74.520
+ 94.957 -80.495 112.585 -87.346
+ 126.088 -11.027 0.000 0.000
+ 130.003 -80.452 116.938 -51.321
+ 118.622-106.912 132.768-143.734
+ 117.701-132.598 112.948-114.054
+ 117.536-115.811 129.962-141.872
+ 121.602 0.000 121.497 -79.801
+ # 149 total E -2.02790E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.754 109.001 -81.162
+ 118.971-117.437 147.438 -32.082
+ 92.477 55.809 133.559 108.535
+ 92.147 44.634 140.689 -86.466
+ 91.436 42.890 131.568 -56.231
+ 92.321 55.955 152.269 -4.020
+ 91.457 44.865 151.452-137.247
+ 92.958 68.471 95.540-102.842
+ 93.834 -96.036 133.907 -15.914
+ 94.312 157.847 0.000 0.000
+ 134.240 -46.966 0.000 0.000
+ 92.101 57.769 100.088 -91.663
+ 92.617 16.151 105.518 -74.651
+ 109.512 -87.584 116.095 -81.894
+ 129.916 -85.951 0.000 0.000
+ 127.533 -99.691 145.041 154.462
+ 117.864-107.552 126.448-138.497
+ 118.072-137.304 114.528-115.978
+ 93.140 57.943 102.063-104.848
+ 93.332 0.000 115.846 -76.630
+ # 150 total E -2.00378E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.452 109.218 -80.063
+ 92.503 161.195 162.918 160.951
+ 92.461 79.726 165.912 19.114
+ 92.255 43.401 100.434 -79.145
+ 91.332 49.877 131.536-109.673
+ 92.146 45.673 142.459 -34.637
+ 91.647 59.832 162.209 178.477
+ 91.726 81.478 94.633 -71.911
+ 93.001 70.613 134.140 15.072
+ 94.872 139.969 0.000 0.000
+ 129.933 -21.404 0.000 0.000
+ 114.744 -56.247 115.030-122.093
+ 93.486 75.157 112.812 -74.536
+ 120.132-110.891 119.852 -83.159
+ 95.123 51.700 0.000 0.000
+ 133.208-111.118 113.246 -48.089
+ 117.106-106.233 129.132-143.044
+ 118.024-137.759 113.887-115.455
+ 93.152 57.990 102.385-106.293
+ 93.333 0.000 115.815 -76.581
+ # 151 total E -2.07057E+02 rmsd from N 0.000 %NC 0.00 0
+ 117.063-149.941 150.229-158.337
+ 125.014 -99.865 140.548 -69.807
+ 92.592 57.384 141.821 102.242
+ 92.019 43.822 130.081 -75.154
+ 91.425 44.412 135.662-150.573
+ 92.175 47.260 145.644 -10.722
+ 91.419 62.740 155.370-157.133
+ 92.044 60.255 84.305 -76.102
+ 93.870 134.037 134.741 -0.275
+ 130.470 -69.671 0.000 0.000
+ 127.540 -49.714 0.000 0.000
+ 107.173 -30.268 127.160-142.664
+ 91.380 97.388 113.217 -74.476
+ 91.639 -19.989 104.523 -77.370
+ 106.450 -47.085 0.000 0.000
+ 129.739 -62.216 102.941 -61.425
+ 118.693-111.541 128.257-135.250
+ 117.806-137.176 115.879-118.484
+ 93.185 58.452 127.623-150.755
+ 93.332 0.000 115.454 -76.772
+ # 152 total E -2.00472E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.501 109.163 -80.045
+ 92.505 161.538 164.167 165.087
+ 92.483 79.252 165.855 18.878
+ 92.264 43.604 100.724 -79.979
+ 91.340 50.531 124.774 -70.533
+ 92.354 48.925 151.082 -27.045
+ 91.671 58.128 161.453 175.658
+ 92.040 76.173 107.915-103.760
+ 93.418 124.444 129.959 26.862
+ 94.311 54.156 0.000 0.000
+ 123.871 -71.757 0.000 0.000
+ 116.428 -84.230 122.006-129.551
+ 93.123 65.924 113.175 -74.374
+ 94.495 43.819 113.953 -76.874
+ 95.759 83.453 0.000 0.000
+ 128.154 -84.755 122.976 134.821
+ 117.954-109.127 117.106-126.565
+ 117.997-119.610 112.748-114.060
+ 117.727-115.853 122.650-128.666
+ 121.618 0.000 121.494 -79.867
+ # 153 total E -2.05815E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.388 109.241 -80.066
+ 92.499 161.326 162.942 162.885
+ 92.530 79.660 165.177 20.869
+ 92.276 42.781 101.523 -82.086
+ 91.276 50.926 125.470 -74.302
+ 92.234 46.826 151.668 -29.237
+ 91.416 64.519 163.003 177.281
+ 92.041 61.046 113.884-107.851
+ 93.666 108.315 157.120 -20.889
+ 126.368 -67.844 0.000 0.000
+ 122.951 -67.949 0.000 0.000
+ 91.529 50.381 101.251-105.050
+ 93.308 32.497 109.537 -74.413
+ 96.084 -92.533 141.790 -24.570
+ 126.099 1.779 0.000 0.000
+ 131.895 -79.340 121.023 -53.062
+ 118.856-105.197 125.244-131.554
+ 117.292-138.790 116.610-119.501
+ 93.259 58.191 126.960-151.390
+ 93.334 0.000 115.695 -76.577
+ # 154 total E -2.00760E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.677 109.330 -80.128
+ 92.502 160.430 161.578 162.556
+ 92.709 80.837 164.356 21.401
+ 92.626 40.816 101.228 -82.694
+ 91.590 57.466 133.865-121.061
+ 92.515 54.249 140.831 -23.954
+ 91.999 105.358 160.417-159.156
+ 93.141 -24.690 119.690-109.638
+ 94.799 -74.134 135.279 -27.503
+ 117.167 -48.119 0.000 0.000
+ 94.162 69.100 0.000 0.000
+ 92.353 58.544 89.546 -90.443
+ 91.552 60.479 111.519 -78.921
+ 92.479 45.372 107.149-125.956
+ 94.089 58.058 0.000 0.000
+ 110.676 -58.020 127.643 147.720
+ 117.521-104.661 118.871-125.829
+ 118.398-135.757 114.868-116.935
+ 93.151 57.688 97.650-107.113
+ 93.334 0.000 115.761 -77.004
+ # 155 total E -1.98995E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.453 109.121 -80.031
+ 92.505 161.624 164.852 164.437
+ 92.359 78.567 166.568 17.324
+ 92.211 43.271 100.198 -77.711
+ 91.294 48.984 140.452-120.632
+ 92.023 43.075 141.153 -42.048
+ 91.459 55.013 162.069 178.633
+ 91.367 77.175 88.402 -59.840
+ 92.419 51.254 134.471 4.312
+ 94.317 52.767 0.000 0.000
+ 94.504 67.804 0.000 0.000
+ 114.059 -34.599 115.832-123.318
+ 91.980 79.908 111.882 -75.062
+ 91.877 -7.735 121.558-121.450
+ 113.516 -39.661 0.000 0.000
+ 134.823 -79.611 66.493 -74.576
+ 117.433-112.125 116.630-121.796
+ 117.651-114.572 137.039-149.438
+ 117.914-115.795 117.335-120.215
+ 121.610 0.000 121.453 -79.866
+ # 156 total E -2.07378E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.643 49.677 109.224 -80.012
+ 92.507 161.463 164.778 166.904
+ 92.405 77.232 166.774 13.465
+ 92.402 43.954 98.939 -77.162
+ 91.461 48.470 143.212-123.230
+ 92.317 44.848 136.438 -84.829
+ 91.852 59.401 162.343 179.589
+ 92.593 111.431 117.465 147.244
+ 128.022 -25.577 138.700 -36.803
+ 131.179 -24.259 0.000 0.000
+ 126.974 -60.901 0.000 0.000
+ 100.870 -27.397 128.988-149.941
+ 91.408 96.960 113.121 -74.386
+ 91.209 -16.923 113.814 -74.729
+ 100.610 -63.445 0.000 0.000
+ 123.964 -48.826 129.356-128.607
+ 119.713-159.073 123.076-129.490
+ 92.645 110.952 96.394 -91.944
+ 93.254 31.151 90.773 -94.861
+ 93.347 0.000 107.782 -82.151
+ # 157 total E -2.06906E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 48.045 109.587 -81.052
+ 92.633 171.108 147.815 -8.434
+ 92.826 75.195 150.357 97.447
+ 92.456 43.515 140.150 -83.746
+ 91.481 44.905 129.605 -44.670
+ 92.326 55.482 153.091 -8.870
+ 91.468 43.872 150.870-135.562
+ 92.962 71.151 95.494-101.867
+ 93.738 -94.304 139.688 -17.317
+ 94.583 155.105 0.000 0.000
+ 133.373 -50.404 0.000 0.000
+ 91.964 65.312 99.264 -95.089
+ 92.546 31.166 104.730 -74.440
+ 95.762-115.088 112.225 -81.265
+ 95.534 154.615 0.000 0.000
+ 129.928-104.648 103.743 -54.481
+ 117.212-107.182 125.904-134.775
+ 118.042-127.451 108.607-108.499
+ 117.694-115.810 125.738-134.126
+ 121.611 0.000 121.479 -79.840
+ # 158 total E -2.03805E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.751 108.985 -81.155
+ 118.808-118.272 148.322 -31.779
+ 92.517 55.803 134.909 108.428
+ 92.084 45.764 138.474 -83.906
+ 91.369 43.113 129.447 -50.915
+ 92.341 50.469 154.581 -14.482
+ 91.455 55.752 149.099-141.648
+ 91.847 70.290 105.439-104.641
+ 92.979 77.501 133.324 -3.068
+ 94.383 104.246 0.000 0.000
+ 137.497 -32.908 0.000 0.000
+ 107.878 -24.294 123.513-136.112
+ 92.666 92.324 113.313 -74.451
+ 91.441 -25.129 104.057 -74.525
+ 104.402 -92.119 0.000 0.000
+ 126.450-107.881 106.618 -51.357
+ 116.961-106.432 127.216-136.581
+ 118.125-137.626 110.662-111.115
+ 93.128 58.119 102.846-110.517
+ 93.333 0.000 115.833 -76.566
+ # 159 total E -2.03901E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.708 108.925 -81.124
+ 118.693-118.259 149.235 -32.616
+ 92.537 54.416 136.603 107.376
+ 92.065 45.976 134.838 -79.289
+ 91.427 41.963 126.597 -46.970
+ 92.564 45.929 153.951 -23.966
+ 91.514 54.575 151.118-146.298
+ 91.817 86.991 105.615 -93.151
+ 93.121 37.665 138.922 -12.562
+ 95.344 66.256 0.000 0.000
+ 130.964 -52.680 0.000 0.000
+ 92.358 69.150 100.142-103.900
+ 92.420 27.488 107.937 -76.198
+ 95.533-113.973 108.200 -81.820
+ 96.132 156.683 0.000 0.000
+ 128.638-104.021 102.663 -54.152
+ 117.463-108.587 126.259-134.915
+ 118.069-119.257 109.130-109.075
+ 117.723-115.815 124.990-132.943
+ 121.613 0.000 121.480 -79.843
+ # 160 total E -1.99508E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.594 109.190 -79.979
+ 92.502 158.551 163.414 157.808
+ 92.351 78.601 166.294 17.923
+ 92.198 45.737 101.120 -79.525
+ 91.274 47.898 124.189 -70.168
+ 92.301 50.474 152.011 -23.560
+ 91.678 59.300 155.131 152.067
+ 92.321 93.703 108.154-105.101
+ 94.030 -93.177 130.555 -30.873
+ 131.161 -50.119 0.000 0.000
+ 94.497 70.557 0.000 0.000
+ 92.097 52.833 87.757 -88.530
+ 91.905 50.524 108.901 -80.797
+ 92.823 62.902 109.169-116.443
+ 94.842 75.101 0.000 0.000
+ 120.727 -83.972 92.063 -60.914
+ 117.493-109.154 127.191-136.050
+ 118.061-115.512 109.819-110.082
+ 117.914-115.829 116.099-120.668
+ 121.616 0.000 121.471 -79.873
+ # 161 total E -2.09211E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.182 109.240 -80.052
+ 92.497 160.677 163.983 166.106
+ 92.556 77.879 165.995 13.199
+ 92.590 44.086 98.795 -77.819
+ 91.608 49.341 142.881-123.527
+ 92.457 53.067 137.904 -75.236
+ 91.899 63.188 163.190 163.435
+ 93.076 156.860 90.999 110.985
+ 116.854 -61.891 146.486 -20.366
+ 126.170 -17.677 0.000 0.000
+ 125.266 -68.806 0.000 0.000
+ 113.651 -53.888 126.528-139.073
+ 89.560 73.343 112.653 -74.329
+ 90.519 4.025 110.959 -76.291
+ 104.663 -69.759 0.000 0.000
+ 125.786 -51.150 107.040-121.238
+ 122.982 135.010 113.962-118.596
+ 92.857 120.257 106.122 -66.331
+ 92.687 43.333 102.147-115.638
+ 93.289 0.000 105.321 -77.560
+ # 162 total E -2.06086E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 47.275 108.102 -79.511
+ 92.740 158.213 144.309-109.237
+ 132.025 -95.927 105.570 -99.398
+ 93.786 43.779 166.209-175.587
+ 91.563 43.832 133.240 -74.390
+ 92.424 53.929 154.433 -14.788
+ 91.303 57.143 137.073-118.456
+ 92.231 65.514 106.063-109.158
+ 93.666 136.565 135.998 -3.333
+ 130.318 -68.180 0.000 0.000
+ 127.971 -47.958 0.000 0.000
+ 107.203 -29.417 127.281-142.894
+ 91.468 98.210 113.227 -74.473
+ 91.641 -20.907 104.883 -77.109
+ 106.861 -46.006 0.000 0.000
+ 129.340 -63.030 104.193 -62.015
+ 118.600-110.928 125.713-131.533
+ 117.668-137.955 116.645-119.734
+ 93.189 58.298 128.130-151.995
+ 93.333 0.000 115.523 -76.764
+ # 163 total E -2.06439E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 48.089 109.509 -81.002
+ 92.608 170.345 149.277 -9.953
+ 92.848 74.437 152.918 96.579
+ 92.379 44.188 135.172 -79.000
+ 91.414 45.143 127.260 -40.298
+ 92.390 49.343 153.713 -21.735
+ 91.565 54.764 151.261-144.299
+ 91.835 77.812 105.469-102.425
+ 92.790 75.450 134.804 -7.430
+ 96.805 80.730 0.000 0.000
+ 133.861 -96.267 0.000 0.000
+ 116.333 -56.144 120.884-127.821
+ 90.064 73.808 112.520 -74.301
+ 90.945 4.304 111.852 -76.351
+ 105.599 -58.271 0.000 0.000
+ 134.312 -64.703 159.074 -30.140
+ 119.986-112.110 104.934-105.073
+ 116.651-139.061 125.544-134.383
+ 93.170 57.931 130.999-156.399
+ 93.333 0.000 115.734 -76.624
+ # 164 total E -2.05939E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.318 109.159 -80.037
+ 92.505 161.596 164.267 163.246
+ 92.389 78.952 166.342 18.218
+ 92.225 43.116 100.397 -78.327
+ 91.313 49.438 137.863-117.157
+ 92.134 43.304 141.277 -37.846
+ 91.667 59.646 162.540-178.693
+ 91.678 85.845 90.173 -65.005
+ 93.251 37.810 136.728 -6.621
+ 95.629 69.324 0.000 0.000
+ 132.063 -68.258 0.000 0.000
+ 92.883 68.234 100.851-104.727
+ 93.573 4.498 118.536 -80.228
+ 120.412-167.346 119.829-124.401
+ 95.031 82.888 0.000 0.000
+ 129.782 -92.456 95.898 -60.358
+ 117.488-108.945 125.294-133.192
+ 118.043-118.376 108.960-109.138
+ 117.695-115.823 124.341-132.216
+ 121.614 0.000 121.483 -79.847
+ # 165 total E -2.06346E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.390 109.187 -80.049
+ 92.504 161.386 163.608 161.449
+ 92.407 79.310 166.365 17.938
+ 92.239 43.521 100.102 -78.046
+ 91.331 49.051 131.939-106.828
+ 92.143 44.642 142.181 -39.308
+ 91.566 58.766 162.171 177.397
+ 91.603 84.200 96.376 -70.552
+ 93.161 38.246 138.023 -6.663
+ 95.203 72.432 0.000 0.000
+ 131.538 -58.854 0.000 0.000
+ 92.848 67.126 101.848-109.647
+ 93.187 41.111 105.814 -74.421
+ 93.862 53.877 109.616 -83.808
+ 94.801 66.363 0.000 0.000
+ 122.711 -77.180 139.357-168.500
+ 117.997-109.608 116.210-121.780
+ 117.978-118.357 113.591-115.568
+ 117.763-115.830 121.744-127.256
+ 121.614 0.000 121.478 -79.864
+ # 166 total E -2.09931E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 48.305 109.582 -81.058
+ 92.629 171.003 147.814 -8.523
+ 92.812 75.127 150.543 96.955
+ 92.474 43.155 140.128 -83.649
+ 91.497 45.292 129.544 -43.760
+ 92.335 55.897 153.654 -9.117
+ 91.498 44.146 150.924-134.993
+ 92.936 73.492 95.603-102.628
+ 93.847 -92.383 135.968 -18.944
+ 94.638 156.094 0.000 0.000
+ 135.887 -54.281 0.000 0.000
+ 92.380 61.364 100.464-100.956
+ 92.739 48.307 105.608 -74.073
+ 93.609 50.048 105.600 -81.513
+ 95.002 67.045 0.000 0.000
+ 122.848 -77.674 137.866-164.563
+ 118.023-108.056 115.211-120.100
+ 117.906-137.716 117.272-120.902
+ 93.134 57.857 102.077-103.363
+ 93.333 0.000 115.862 -76.660
+ # 167 total E -1.99175E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.910 109.281 -80.107
+ 92.497 160.200 162.020 162.241
+ 92.686 80.054 164.645 19.557
+ 92.431 44.684 100.023 -80.536
+ 91.476 49.313 130.471 -90.574
+ 92.385 61.728 149.649 -29.528
+ 91.834 54.753 157.466 133.939
+ 93.033 156.339 102.837-112.543
+ 93.530 -69.982 85.637 -75.804
+ 93.082 35.988 0.000 0.000
+ 117.937 -83.037 0.000 0.000
+ 120.503 13.884 110.809-112.471
+ 93.170 -51.565 111.288 -73.537
+ 91.488 -6.784 112.341 -77.583
+ 121.350 -20.993 0.000 0.000
+ 122.277 -74.828 132.622 146.401
+ 117.736-109.170 117.863-125.573
+ 117.922-136.825 118.448-122.050
+ 93.147 58.110 102.015-102.948
+ 93.334 0.000 115.823 -76.638
+ # 168 total E -2.03275E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.629 44.989 112.015 -83.998
+ 92.507 156.235 142.859-174.200
+ 93.594 94.998 124.584 -43.567
+ 92.250 -0.394 81.456 -80.785
+ 91.471 -87.761 141.625-110.421
+ 103.457 171.454 84.989-123.559
+ 91.989 82.114 157.455 172.241
+ 92.642 67.902 118.242-137.747
+ 93.613 113.341 141.007 11.394
+ 130.210 -10.782 0.000 0.000
+ 126.519 -68.736 0.000 0.000
+ 112.743 -52.404 117.916-125.305
+ 89.675 75.310 112.396 -74.260
+ 90.804 2.553 110.550 -76.381
+ 103.294 -70.203 0.000 0.000
+ 129.473 -49.001 159.002 36.039
+ 119.730-115.631 116.434-120.138
+ 119.242-133.762 121.145-124.341
+ 93.075 58.655 98.883 -96.614
+ 93.333 0.000 115.648 -76.759
+ # 169 total E -2.03225E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.630 82.410 114.269 -82.784
+ 92.166 133.651 134.381-142.561
+ 92.065 95.492 124.393 -43.194
+ 93.517 8.592 83.009 -83.237
+ 93.562 -92.313 145.340-132.205
+ 93.903 148.611 91.559-109.192
+ 92.672 65.428 149.440-118.676
+ 93.539 149.346 94.336 115.011
+ 117.774 -61.511 147.711 -22.093
+ 126.805 -15.775 0.000 0.000
+ 125.329 -68.861 0.000 0.000
+ 113.644 -53.686 125.906-138.016
+ 89.553 73.296 112.657 -74.334
+ 90.518 4.220 110.925 -76.296
+ 104.573 -70.211 0.000 0.000
+ 125.463 -51.911 106.011-121.859
+ 123.030 134.199 111.824-115.075
+ 92.794 121.759 107.118 -67.120
+ 92.763 41.658 101.854-115.725
+ 93.295 0.000 107.896 -76.327
+ # 170 total E -2.07816E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.641 49.200 109.215 -80.052
+ 92.497 160.869 164.219 166.561
+ 92.529 77.580 166.162 12.909
+ 92.594 43.369 98.562 -77.359
+ 91.613 49.875 143.127-122.919
+ 92.472 50.219 138.226 -70.751
+ 91.936 64.658 164.738 178.688
+ 93.234 147.378 94.489 110.812
+ 117.983 -66.010 152.313 -25.819
+ 127.049 -13.779 0.000 0.000
+ 127.254 -65.867 0.000 0.000
+ 114.507 -54.785 110.000-112.740
+ 89.482 72.833 112.541 -74.295
+ 90.632 5.140 110.805 -76.619
+ 104.285 -69.506 0.000 0.000
+ 127.472 -53.348 106.242-123.640
+ 121.073-166.918 107.787-113.467
+ 124.878-138.053 106.418 -99.321
+ 93.010 59.080 100.205-108.404
+ 93.333 0.000 115.017 -76.783
+ # 171 total E -1.99688E+02 rmsd from N 0.000 %NC 0.00 0
+ 117.970-147.503 110.930 -82.829
+ 122.297-169.218 167.925-155.505
+ 92.441 79.423 171.626 19.925
+ 92.231 43.458 110.385 -64.641
+ 91.301 47.331 133.618-106.248
+ 92.079 45.047 142.175 -38.980
+ 91.525 56.148 159.748-171.516
+ 91.526 80.375 94.473 -69.065
+ 93.044 38.413 138.463 -7.634
+ 95.130 66.109 0.000 0.000
+ 129.150 -47.162 0.000 0.000
+ 92.395 69.504 99.951-103.812
+ 92.459 25.696 104.815 -74.053
+ 95.447-114.054 111.074 -82.238
+ 95.959 155.953 0.000 0.000
+ 128.757-105.152 103.703 -53.670
+ 117.455-108.420 126.201-134.909
+ 118.069-119.483 109.073-108.993
+ 117.721-115.820 125.087-133.086
+ 121.611 0.000 121.480 -79.843
+ # 172 total E -2.01091E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.636 49.337 109.222 -80.070
+ 92.510 161.615 163.247 164.542
+ 92.573 81.143 165.502 19.646
+ 92.487 41.047 101.193 -80.936
+ 91.379 55.937 129.425 -92.221
+ 92.583 52.393 151.744 -33.356
+ 91.494 76.560 160.415-165.053
+ 92.200 112.306 121.074-125.054
+ 93.672 -50.651 100.407 -71.363
+ 94.818 81.335 0.000 0.000
+ 130.841 -77.801 0.000 0.000
+ 128.760 105.248 118.680-117.931
+ 93.647 38.672 101.421 -73.910
+ 123.998 -90.052 119.818 -90.520
+ 95.072 160.966 0.000 0.000
+ 130.006 -89.796 105.149 -60.227
+ 117.198-107.025 122.186-129.856
+ 117.966-137.104 111.629-112.309
+ 93.260 58.244 126.155-148.241
+ 93.330 0.000 115.820 -76.510
+ # 173 total E -2.02078E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.637 49.396 109.199 -80.006
+ 92.505 161.644 165.722 167.857
+ 92.338 76.781 167.260 12.361
+ 92.376 44.265 98.552 -75.650
+ 91.472 48.035 144.695-123.389
+ 92.183 44.098 135.511 -83.636
+ 91.556 55.637 161.412-177.042
+ 92.510 92.009 121.001 148.340
+ 92.688 -78.965 134.219 -22.497
+ 94.476 139.732 0.000 0.000
+ 131.294 -59.041 0.000 0.000
+ 91.842 52.290 132.205-157.938
+ 93.032 30.012 106.182 -72.456
+ 95.853 -93.855 117.716-113.783
+ 124.260-173.577 0.000 0.000
+ 130.161 -87.823 93.631 -63.012
+ 117.048-109.086 124.614-133.304
+ 118.062-119.062 108.601-108.348
+ 117.721-115.825 125.122-133.351
+ 121.612 0.000 121.481 -79.842
+ # 174 total E -1.99073E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 48.307 109.526 -80.616
+ 92.602 82.499 157.936 172.532
+ 93.791 113.124 125.494 -40.038
+ 125.272 -93.031 95.569 -92.860
+ 91.299 66.321 119.448 -96.906
+ 92.160 64.026 152.273 -7.688
+ 91.493 46.401 140.152 -55.018
+ 92.912 70.747 94.413-112.511
+ 94.038 -96.443 136.210 -17.742
+ 94.747 157.832 0.000 0.000
+ 134.617 -59.539 0.000 0.000
+ 92.486 56.699 101.433 -97.515
+ 92.893 48.069 114.974 -79.036
+ 93.687 49.543 106.086-113.477
+ 95.042 67.908 0.000 0.000
+ 123.229 -77.907 138.333-166.445
+ 118.037-109.732 116.066-121.439
+ 117.951-118.113 113.494-115.476
+ 117.784-115.826 121.832-127.343
+ 121.615 0.000 121.477 -79.864
+ # 175 total E -2.05956E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.661 122.833 108.992 -81.046
+ 118.672-117.521 150.350 -31.630
+ 92.534 56.831 136.445 104.611
+ 92.210 43.447 134.182 -79.011
+ 91.600 44.681 140.287-158.234
+ 92.456 52.591 149.892 -2.549
+ 92.039 63.721 156.339-143.277
+ 93.032 156.010 92.251 111.069
+ 117.236 -61.569 146.356 -21.079
+ 126.326 -17.397 0.000 0.000
+ 125.275 -68.814 0.000 0.000
+ 113.648 -53.855 126.203-138.547
+ 89.558 73.338 112.654 -74.331
+ 90.520 4.074 110.951 -76.295
+ 104.643 -69.860 0.000 0.000
+ 125.716 -51.347 106.721-121.476
+ 122.999 134.941 113.614-117.844
+ 92.864 120.473 106.404 -66.559
+ 92.695 43.186 102.408-116.029
+ 93.291 0.000 105.722 -77.283
+ # 176 total E -2.10505E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.635 49.932 111.264 -81.962
+ 92.067 75.806 144.023-137.321
+ 92.498 52.380 132.031 110.036
+ 92.399 43.572 143.484 -86.075
+ 91.414 43.357 132.233 -59.844
+ 92.238 56.536 152.869 -5.629
+ 91.442 43.539 150.744-131.654
+ 92.993 70.978 94.662-102.638
+ 93.749 -94.742 140.396 -16.241
+ 94.572 154.520 0.000 0.000
+ 133.409 -49.910 0.000 0.000
+ 91.973 65.404 99.194 -95.350
+ 92.546 31.038 104.619 -74.278
+ 95.724-114.974 112.049 -81.334
+ 95.511 154.363 0.000 0.000
+ 129.960-104.468 104.047 -54.087
+ 117.107-106.575 125.977-134.764
+ 118.125-138.992 109.938-110.283
+ 93.092 57.794 105.391-115.030
+ 93.333 0.000 115.841 -76.597
+ # 177 total E -2.05764E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.506 109.173 -80.046
+ 92.505 161.378 163.820 162.193
+ 92.411 79.362 166.233 18.548
+ 92.229 43.361 100.480 -78.599
+ 91.330 49.306 135.609-114.411
+ 92.125 44.276 141.942 -37.117
+ 91.584 58.744 162.279 178.364
+ 91.570 84.267 92.026 -67.119
+ 93.024 42.225 135.702 -11.594
+ 95.570 66.341 0.000 0.000
+ 132.760 -69.152 0.000 0.000
+ 92.779 66.946 100.801-104.206
+ 93.150 9.353 114.471 -78.068
+ 111.904-105.008 124.916-132.283
+ 134.038-104.808 0.000 0.000
+ 126.190 -88.179 91.033 -62.142
+ 117.002-107.162 126.464-135.858
+ 118.203-137.582 110.267-110.513
+ 93.125 58.074 102.908-112.429
+ 93.333 0.000 115.847 -76.563
+ # 178 total E -2.12182E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.631 48.548 112.676 -83.793
+ 92.073 83.152 132.764 143.462
+ 92.093 71.257 165.648 16.945
+ 91.976 42.875 94.654 -76.671
+ 91.178 50.365 125.148 -61.563
+ 92.117 47.939 150.890 -29.517
+ 91.513 60.860 162.757-172.267
+ 92.154 63.565 110.501-103.470
+ 93.705 135.877 135.825 -3.343
+ 130.258 -68.294 0.000 0.000
+ 127.825 -48.545 0.000 0.000
+ 107.220 -29.629 127.162-142.701
+ 91.446 98.068 113.224 -74.474
+ 91.641 -20.746 104.781 -77.192
+ 106.738 -46.110 0.000 0.000
+ 129.489 -62.906 104.039 -61.934
+ 118.650-111.082 126.068-132.008
+ 117.687-137.880 116.460-119.450
+ 93.191 58.306 128.130-152.012
+ 93.335 0.000 115.478 -76.758
+ # 179 total E -2.00468E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.632 38.384 111.477 -83.418
+ 92.365 139.180 141.319-147.683
+ 92.155 95.348 125.395 -42.676
+ 93.382 8.255 84.668 -82.376
+ 93.119 -94.723 145.320-127.530
+ 93.799 148.542 136.795 52.578
+ 92.343 65.698 144.366-117.923
+ 92.765 99.098 121.894-101.661
+ 93.376 70.989 128.154 30.729
+ 95.200 84.397 0.000 0.000
+ 129.917 -79.750 0.000 0.000
+ 130.283 98.959 114.617-111.308
+ 92.390 -38.261 123.809 -8.809
+ 91.109 -41.648 114.955 -76.102
+ 94.139 78.364 0.000 0.000
+ 129.675-115.917 119.824 -39.541
+ 117.426-106.161 127.425-138.946
+ 118.210-138.254 112.512-113.333
+ 93.140 57.875 101.687-105.070
+ 93.331 0.000 115.814 -76.610
+ # 180 total E -1.99910E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.660 108.803 -80.070
+ 92.545 164.893 176.419-164.649
+ 92.076 76.842 169.656 14.308
+ 92.161 44.389 102.610 -67.378
+ 91.320 47.927 122.470 -56.530
+ 92.237 47.255 149.675 -33.836
+ 91.574 59.343 159.247-177.447
+ 91.748 76.203 108.755 -95.894
+ 93.302 45.843 143.973 18.913
+ 95.191 73.727 0.000 0.000
+ 126.317 -32.007 0.000 0.000
+ 93.280 82.993 127.925-150.351
+ 123.969 -97.605 110.331 -77.452
+ 126.872 -75.681 123.343 -80.767
+ 95.499 77.116 0.000 0.000
+ 127.015 -79.401 120.524 -49.315
+ 116.471-109.476 100.593 -76.965
+ 116.540-139.448 128.875-140.152
+ 93.155 59.121 133.012-158.730
+ 93.328 0.000 115.201 -76.393
+ # 181 total E -2.02388E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.734 109.201 -80.060
+ 92.505 161.151 163.368 163.591
+ 92.522 80.019 165.505 19.934
+ 92.301 43.223 101.331 -81.291
+ 91.332 51.347 124.691 -73.835
+ 92.334 48.759 151.038 -27.967
+ 91.604 61.145 161.624 178.796
+ 92.233 69.192 110.363-106.709
+ 93.291 141.158 139.066 -6.232
+ 130.243 -59.100 0.000 0.000
+ 123.689 -57.705 0.000 0.000
+ 92.084 54.674 131.490-157.616
+ 93.175 25.885 110.499 -75.520
+ 96.149 -95.289 122.411-116.391
+ 123.580-174.932 0.000 0.000
+ 131.646 -89.737 95.129 -62.705
+ 116.910-108.646 127.145-139.544
+ 118.066-119.061 108.101-107.410
+ 117.728-115.832 124.830-133.234
+ 121.610 0.000 121.481 -79.843
+ # 182 total E -2.02410E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 49.674 109.382 -80.158
+ 92.492 158.847 160.810 162.511
+ 92.876 82.746 163.807 20.978
+ 92.866 39.650 101.105 -83.146
+ 91.791 61.511 129.606-101.098
+ 93.272 62.052 150.078 -33.328
+ 92.428 167.745 158.543-161.215
+ 119.677 178.476 122.324 120.057
+ 122.072 -63.126 144.936 -24.132
+ 126.822 -13.948 0.000 0.000
+ 127.941 -66.208 0.000 0.000
+ 113.497 -51.934 111.994-116.106
+ 89.687 74.633 112.358 -74.224
+ 90.771 3.836 110.639 -76.543
+ 103.603 -71.072 0.000 0.000
+ 127.177 -51.780 153.158 -2.565
+ 121.361-165.922 101.466 -98.493
+ 126.574-143.273 105.739 -98.646
+ 92.984 58.361 101.067-115.980
+ 93.329 0.000 115.043 -76.709
+ # 183 total E -2.08229E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.640 48.854 108.956 -79.990
+ 92.521 162.922 169.253 174.375
+ 92.253 77.301 167.697 14.807
+ 92.179 44.424 99.287 -72.993
+ 91.325 48.542 122.574 -60.936
+ 92.265 47.003 150.106 -32.335
+ 91.596 59.156 160.195 178.990
+ 92.109 60.599 110.588-101.181
+ 93.241 129.492 143.952 15.777
+ 131.615 -30.176 0.000 0.000
+ 126.009 -65.175 0.000 0.000
+ 106.195 -35.172 119.883-131.358
+ 90.768 91.883 113.173 -74.445
+ 91.301 -14.421 103.303 -77.596
+ 103.125 -59.573 0.000 0.000
+ 128.730 -47.423 127.998 -64.489
+ 123.413-159.644 111.222-108.622
+ 92.985 112.696 100.890 -93.926
+ 93.052 87.389 96.303 -94.747
+ 93.395 0.000 114.866 -80.589
+ # 184 total E -2.08607E+02 rmsd from N 0.000 %NC 0.00 0
+ 116.923-151.259 149.690-158.964
+ 125.044-101.141 141.642 -79.387
+ 92.594 56.097 148.593 97.854
+ 92.071 43.688 121.675 -68.403
+ 91.421 44.666 142.648-151.124
+ 92.158 43.085 146.047 -35.932
+ 91.391 56.443 156.472-171.073
+ 91.841 74.652 86.708 -61.845
+ 93.280 101.918 135.372 -1.529
+ 128.470 -17.514 0.000 0.000
+ 125.770 -70.530 0.000 0.000
+ 110.852 -51.910 97.804 -86.884
+ 89.823 77.072 112.560 -74.440
+ 90.737 1.148 110.466 -76.301
+ 102.502 -70.692 0.000 0.000
+ 130.033 -45.097 139.889 170.997
+ 120.659-146.309 104.585-107.328
+ 118.825-113.254 112.480-113.077
+ 93.045 61.869 103.709-112.497
+ 93.332 0.000 115.187 -76.690
+ # 185 total E -2.05355E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 48.940 109.285 -80.271
+ 92.471 159.935 162.954-170.434
+ 92.788 78.213 164.889 18.387
+ 92.460 45.887 114.252 -61.147
+ 91.634 51.958 135.397-115.862
+ 93.019 69.172 144.398 -43.459
+ 92.267 57.495 160.570-175.183
+ 117.989-103.687 108.318-107.181
+ 120.665 -86.117 109.820 -67.733
+ 95.092 56.517 0.000 0.000
+ 96.109 40.994 0.000 0.000
+ 92.937 47.351 104.170 -92.304
+ 92.152 47.850 105.333 -83.291
+ 93.179 52.404 108.049 -84.134
+ 95.070 63.048 0.000 0.000
+ 121.430 -96.468 126.430 -41.100
+ 117.316-106.565 120.789-126.955
+ 117.279-142.087 114.660-116.923
+ 93.352 47.192 128.000-151.309
+ 93.370 0.000 118.293 -80.061
+ # 186 total E -2.08209E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.460 109.212 -80.063
+ 92.503 161.272 163.097 161.689
+ 92.457 79.994 165.677 20.503
+ 92.217 43.007 101.057 -80.039
+ 91.315 50.100 135.023-118.134
+ 92.127 44.387 142.693 -25.815
+ 91.660 61.346 162.766-178.816
+ 92.040 69.511 87.351 -69.891
+ 93.911 131.670 135.391 14.158
+ 127.749 -78.983 0.000 0.000
+ 133.795 -41.426 0.000 0.000
+ 107.086 -27.612 124.737-138.413
+ 92.107 92.596 113.230 -74.413
+ 91.631 -22.508 104.431 -76.358
+ 104.324-100.083 0.000 0.000
+ 127.309-114.408 111.694 -46.263
+ 115.709-108.879 128.450-139.989
+ 117.094-137.669 146.490-165.282
+ 93.120 58.135 102.062-107.513
+ 93.333 0.000 115.729 -76.621
+ # 187 total E -2.02600E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.629 122.936 142.970-132.224
+ 119.003-118.188 147.890 -31.598
+ 92.505 55.795 134.209 108.978
+ 92.113 45.994 139.668 -85.019
+ 91.417 42.436 129.961 -51.200
+ 92.348 52.474 154.344 -14.172
+ 91.598 51.880 149.797-139.896
+ 92.577 85.347 102.146-103.643
+ 93.667 -82.006 134.445 -21.063
+ 94.823 166.612 0.000 0.000
+ 135.817 -50.310 0.000 0.000
+ 110.394 -30.603 126.376-139.490
+ 91.780 93.881 113.014 -74.334
+ 91.889 -20.730 104.908 -77.056
+ 110.891 -34.158 0.000 0.000
+ 132.621 -73.615 81.382 -66.700
+ 117.137-109.550 123.668-130.336
+ 118.173-137.381 116.875-119.338
+ 93.100 58.244 102.803-111.681
+ 93.334 0.000 115.691 -76.675
+ # 188 total E -2.05303E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 50.577 110.259 -80.666
+ 92.459 159.725 150.896 148.762
+ 92.929 81.339 149.552 44.305
+ 92.648 44.365 107.119-101.803
+ 91.584 54.709 128.176 -90.686
+ 93.064 59.798 154.620 -0.241
+ 91.986 68.688 163.467-138.908
+ 109.919 -72.201 114.000-125.258
+ 121.133-173.688 144.884 9.803
+ 132.164 -58.446 0.000 0.000
+ 128.677 -50.213 0.000 0.000
+ 109.020 -31.873 122.451-134.150
+ 91.296 96.478 113.323 -74.445
+ 91.598 -20.469 102.852 -78.404
+ 107.135 -44.544 0.000 0.000
+ 131.377 -60.402 99.133-118.401
+ 119.250-113.033 116.363-122.937
+ 118.408-136.239 117.111-119.453
+ 93.172 58.666 128.400-150.347
+ 93.332 0.000 115.559 -76.590
+ # 189 total E -2.08503E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.639 49.093 109.165 -80.035
+ 92.500 161.246 165.269 167.887
+ 92.444 76.924 166.801 11.651
+ 92.567 43.261 98.061 -75.665
+ 91.614 50.321 144.231-121.332
+ 92.453 47.671 137.654 -69.963
+ 91.962 59.112 163.141-165.133
+ 93.137 137.285 104.381 118.636
+ 117.847 -64.557 136.976 -31.169
+ 127.131 -15.382 0.000 0.000
+ 129.518 -62.829 0.000 0.000
+ 102.252 -29.507 126.609-144.374
+ 91.106 95.143 112.933 -74.212
+ 91.105 -15.859 110.514 -75.861
+ 101.641 -63.217 0.000 0.000
+ 126.389 -48.192 151.728 -59.009
+ 119.264-143.849 119.405-127.177
+ 119.639-114.572 107.997-105.034
+ 92.973 62.211 105.245-120.516
+ 93.331 0.000 114.705 -76.759
+ # 190 total E -2.03770E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.660 122.947 109.020 -81.183
+ 119.303-117.761 148.024 -30.873
+ 92.550 59.214 133.391 108.586
+ 92.229 45.442 141.772 -88.163
+ 91.563 44.514 132.757 -62.566
+ 93.083 60.037 154.862 -2.978
+ 91.930 67.509 148.616-139.711
+ 109.715 -70.498 113.281-120.673
+ 121.395-173.613 145.074 9.825
+ 132.110 -58.397 0.000 0.000
+ 128.674 -50.265 0.000 0.000
+ 109.044 -31.947 122.418-134.086
+ 91.290 96.404 113.321 -74.446
+ 91.599 -20.375 102.819 -78.419
+ 107.179 -44.580 0.000 0.000
+ 131.344 -60.399 99.084-118.250
+ 119.261-113.035 116.486-123.090
+ 118.418-136.243 117.138-119.460
+ 93.167 58.726 128.476-150.421
+ 93.333 0.000 115.560 -76.591
+ # 191 total E -2.01845E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.657 122.644 109.044 -81.092
+ 119.138-116.580 148.571 -30.884
+ 92.472 56.876 133.799 107.249
+ 92.114 43.271 137.509 -82.218
+ 91.531 44.583 140.180-158.191
+ 92.363 49.909 150.142 3.834
+ 91.960 59.848 151.111-134.084
+ 92.922 136.410 106.857 119.665
+ 118.577 -63.101 134.995 -37.745
+ 127.028 -14.859 0.000 0.000
+ 129.550 -62.925 0.000 0.000
+ 102.216 -29.594 126.761-144.658
+ 91.089 95.028 112.917 -74.199
+ 91.099 -15.703 110.466 -75.969
+ 101.626 -63.582 0.000 0.000
+ 126.244 -48.122 155.279 -46.823
+ 119.230-143.724 118.439-124.568
+ 120.234-108.259 108.136-105.105
+ 117.602-110.153 121.534-129.317
+ 94.587 0.000 116.544 -76.832
+ # 192 total E -2.04281E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.659 122.873 109.017 -81.193
+ 119.284-117.593 147.446 -30.928
+ 92.482 56.600 132.723 109.492
+ 92.069 45.206 140.803 -86.624
+ 91.368 43.235 130.515 -55.194
+ 92.341 54.191 154.102 -4.084
+ 91.289 54.143 149.120-140.037
+ 91.989 64.878 102.665-108.102
+ 93.258 156.434 132.587 -0.105
+ 94.252 124.109 0.000 0.000
+ 132.987 -61.416 0.000 0.000
+ 111.394 -37.154 125.231-137.279
+ 91.523 91.069 113.240 -74.437
+ 91.947 -17.791 103.701 -78.105
+ 111.415 -30.642 0.000 0.000
+ 133.273 -78.752 100.947 -61.185
+ 117.786-112.868 123.173-129.129
+ 117.996-116.586 115.797-117.613
+ 117.593-115.850 126.806-134.839
+ 121.610 0.000 121.483 -79.831
+ # 193 total E -2.00606E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 48.864 109.473 -80.537
+ 92.587 83.544 157.860 171.554
+ 93.748 112.365 125.590 -40.156
+ 124.559 -93.251 93.928 -91.946
+ 91.233 70.663 121.489-103.011
+ 92.358 56.913 152.919 -23.568
+ 91.412 70.335 135.639 -64.678
+ 92.253 57.972 113.403-128.798
+ 93.476 103.041 138.608 5.767
+ 130.738 -14.712 0.000 0.000
+ 125.890 -69.027 0.000 0.000
+ 112.247 -51.517 111.180-115.533
+ 89.668 75.948 112.316 -74.206
+ 90.880 2.302 110.099 -76.534
+ 102.205 -73.208 0.000 0.000
+ 128.827 -46.097 152.102 33.176
+ 121.588-151.756 109.164-109.171
+ 119.608-107.946 108.428-106.606
+ 117.691-115.820 120.572-126.661
+ 121.619 0.000 121.476 -79.880
+ # 194 total E -2.04412E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 40.529 107.442 -80.451
+ 92.835 153.116 155.276-120.160
+ 130.979 -96.963 106.748 -97.886
+ 93.949 42.618 165.797-173.104
+ 91.743 43.227 133.035 -74.682
+ 92.555 58.724 154.620 -2.674
+ 91.322 45.522 140.853-117.980
+ 92.800 70.201 95.541-104.972
+ 93.687-102.650 137.384 -17.916
+ 94.755 157.528 0.000 0.000
+ 134.035 -57.142 0.000 0.000
+ 92.066 64.413 104.688 -94.170
+ 92.398 33.554 111.966 -80.590
+ 95.332-115.605 110.793 -82.406
+ 95.608 153.317 0.000 0.000
+ 130.392-103.252 102.396 -54.929
+ 116.933-106.152 126.167-135.032
+ 118.103-139.241 110.385-110.861
+ 93.085 57.776 106.286-116.350
+ 93.331 0.000 115.830 -76.585
+ # 195 total E -2.10272E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.636 49.330 109.109 -80.024
+ 92.507 161.818 165.220 164.978
+ 92.343 78.299 166.735 16.753
+ 92.240 43.114 100.293 -77.612
+ 91.300 49.131 141.735-122.893
+ 92.078 42.161 140.796 -45.193
+ 91.503 58.377 162.001-178.581
+ 91.866 73.328 89.434 -59.326
+ 93.319 101.686 135.122 -2.864
+ 128.706 -16.656 0.000 0.000
+ 125.745 -70.706 0.000 0.000
+ 110.810 -51.803 97.736 -86.847
+ 89.837 77.114 112.568 -74.437
+ 90.745 1.215 110.439 -76.303
+ 102.503 -70.786 0.000 0.000
+ 129.704 -45.004 139.922 173.279
+ 121.240-152.804 105.030-107.374
+ 119.458-107.861 109.950-109.322
+ 117.719-115.830 119.024-124.175
+ 121.617 0.000 121.470 -79.887
+ # 196 total E -2.02199E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.696 109.395 -80.155
+ 92.496 160.611 160.517 161.169
+ 92.741 81.056 163.721 23.610
+ 92.487 42.144 102.976 -86.832
+ 91.479 52.708 125.177 -80.271
+ 92.538 55.523 152.519 -1.127
+ 91.401 52.886 165.286 177.294
+ 91.982 64.365 100.926-110.200
+ 93.224 148.051 136.075 -21.071
+ 94.587 126.394 0.000 0.000
+ 135.223 -58.826 0.000 0.000
+ 109.404 -30.315 123.853-136.060
+ 91.941 91.649 113.278 -74.558
+ 91.704 -17.631 102.446 -81.241
+ 106.970 -78.262 0.000 0.000
+ 131.028-111.127 109.828 -49.855
+ 117.026-106.352 129.811-140.903
+ 118.104-137.874 110.888-111.347
+ 93.125 58.061 102.768-110.199
+ 93.332 0.000 115.805 -76.582
+ # 197 total E -2.04145E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 48.786 109.196 -80.036
+ 92.502 161.305 163.911 163.954
+ 92.476 79.425 165.828 19.289
+ 92.262 43.352 101.000 -80.361
+ 91.315 50.680 124.121 -71.377
+ 92.318 48.063 150.839 -28.577
+ 91.626 58.506 161.660 177.537
+ 92.270 68.244 108.543-103.335
+ 93.432 136.149 136.533 -18.324
+ 134.543 -86.454 0.000 0.000
+ 130.052 -37.813 0.000 0.000
+ 92.233 68.352 100.651-104.477
+ 92.606 26.686 105.678 -74.984
+ 95.323-115.696 111.734 -80.932
+ 95.283 150.436 0.000 0.000
+ 132.495-102.721 105.220 -53.866
+ 116.255-104.001 123.763-131.718
+ 117.455-139.672 111.674-112.669
+ 93.268 57.859 126.903-151.962
+ 93.333 0.000 115.854 -76.479
+ # 198 total E -2.04605E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.638 49.863 109.348 -80.137
+ 92.497 159.651 161.270 161.938
+ 92.746 81.331 164.436 20.486
+ 92.669 41.066 100.416 -81.641
+ 91.563 59.378 114.382 -80.051
+ 92.854 53.888 146.194 -28.205
+ 92.679 114.610 156.783-154.094
+ 90.810 -29.674 136.750-146.785
+ 90.746 -55.495 110.926 -56.282
+ 94.250 10.826 0.000 0.000
+ 110.216 -61.048 0.000 0.000
+ 87.549 -29.595 101.103-104.283
+ 92.934 116.399 108.727 -77.354
+ 95.989 39.551 129.354-145.009
+ 95.971 76.703 0.000 0.000
+ 121.154 -90.332 122.919 -42.732
+ 117.330-106.994 124.467-131.890
+ 117.719-133.860 111.819-112.687
+ 117.452-115.803 132.780-145.592
+ 121.602 0.000 121.494 -79.778
+ # 199 total E -2.00243E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.634 49.979 111.625 -82.272
+ 92.477 88.777 137.195 140.043
+ 93.943 106.976 166.169 2.372
+ 126.582-100.838 111.721 -88.041
+ 91.329 66.830 121.001-126.530
+ 92.069 64.455 139.667 -46.470
+ 91.538 58.892 113.779 -68.529
+ 92.043 92.918 104.438 -95.175
+ 93.215 37.152 138.712 -12.557
+ 95.349 67.808 0.000 0.000
+ 130.874 -53.867 0.000 0.000
+ 92.356 68.966 100.148-103.953
+ 92.440 28.099 108.140 -75.885
+ 95.477-113.641 108.604 -81.999
+ 96.142 156.612 0.000 0.000
+ 128.729-103.059 103.194 -53.565
+ 117.338-107.122 126.656-135.315
+ 118.179-137.582 110.953-111.488
+ 93.130 58.022 102.885-110.325
+ 93.332 0.000 115.739 -76.577
+ # 200 total E -2.10954E+02 rmsd from N 0.000 %NC 0.00 0
+ 93.636 48.133 109.589 -81.055
+ 92.635 171.079 147.844 -8.378
+ 92.824 75.117 150.420 97.434
+ 92.454 43.530 140.051 -83.627
+ 91.479 44.877 129.576 -44.304
+ 92.323 55.366 153.084 -9.299
+ 91.473 43.808 150.941-135.660
+ 92.972 71.180 95.516-101.680
+ 93.737 -94.214 140.366 -16.666
+ 94.585 154.842 0.000 0.000
+ 133.337 -50.142 0.000 0.000
+ 91.964 65.416 99.301 -95.146
+ 92.540 31.126 104.722 -74.464
+ 95.675-114.892 112.136 -81.280
+ 95.516 154.254 0.000 0.000
+ 129.935-104.473 104.134 -53.997
+ 117.096-106.608 125.997-134.776
+ 118.122-138.988 110.062-110.437
+ 93.093 57.775 105.364-114.773
+ 93.333 0.000 115.841 -76.587
projects / unres.git / blobdiff