added source code

[unres.git] / examples / unres / CSA / ALPHA / CSA / output / proteinA_alpha.CSA.rbank

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