added source code

[unres.git] / examples / unres / CSA / CASP5 / CSA / run2 / output / 1fsd_CASP5.CSA.rbank

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