Old force fields removed, new ones (GAB, E0LL2Y) added.

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

diff --git a/examples/unres/CSA/ALPHA/CSA/output/proteinA_alpha.CSA.bank b/examples/unres/CSA/ALPHA/CSA/output/proteinA_alpha.CSA.bank
deleted file mode 100644 (file)
index b7ca657..0000000
--- a/examples/unres/CSA/ALPHA/CSA/output/proteinA_alpha.CSA.bank
+++ /dev/null
@@ -1,4702 +0,0 @@
- jlee =  1   nbank = 100   nstep =   40300  25488668 0     1512.21957
- nglob_csa =  70 eglob_csa =  -2.46939E+02
- #   1 total E   -2.33495E+02 rmsd from N    0.000 %NC  0.00    1
-  93.722  97.716 138.912-104.256
-  93.481  48.837 139.517-102.488
-  92.079  40.184 143.417-133.574
-  92.426  39.213 129.446 -76.227
-  93.207  43.268 145.755-152.399
-  94.808  30.454 139.517-150.313
-  94.519  35.891 131.023 -85.890
-  91.381  43.374 141.665 -88.054
-  90.326  48.166 144.254 -42.707
-  90.763  49.131 137.431-140.517
-  92.907  39.977 148.174-107.555
-  93.723  36.789 101.919-113.207
-  93.716  39.765 142.652-132.065
-  93.103  37.441 146.084-114.309
-  93.641  69.203 143.516-137.493
-  92.875  57.705 133.308 -93.539
-  93.348  58.685 132.524 -89.456
-  94.830-113.335 138.419-110.097
-  94.777 105.322 140.429-111.762
- 118.754-126.964 151.657 -20.003
-  92.911 -17.772   0.000   0.000
- 121.963-176.525 157.569 177.244
-  93.617  49.437 142.263 -89.594
-  93.820  29.876 136.316-105.233
-  94.487  51.100 117.195 -76.217
-  92.386  34.163 148.056-114.752
-  94.551  51.010 139.602-105.768
-  95.099 -19.945 144.287-126.940
- 123.668-158.918 153.018 -17.657
-  92.757  63.088  99.935-114.813
-  91.286  48.869 116.068 -76.201
-  92.413  75.005 137.185 -97.392
-  90.732  48.073 115.096 -76.164
-  92.194  38.660 129.354 -76.127
-  90.198  40.546 142.636-132.321
-  91.452  44.896 145.900 -40.315
-  89.999  39.641 147.235-115.870
-  91.657  39.873 129.317 -76.107
-  91.556  51.504 130.285 -80.142
-  92.381  39.103 129.014 -75.939
-  93.656  33.329 137.646 -85.358
-  93.971  40.818 136.842 -93.713
-  92.580  49.381 145.670 -41.190
-  90.735  49.918 143.430-137.710
-  90.849  79.263 142.271-122.820
-  93.019   0.000 129.305 -76.216
- #   2 total E   -2.27150E+02 rmsd from N    0.000 %NC  0.00    1
-  93.622  59.946 137.991-103.893
-  93.580  60.304 139.793-105.350
-  93.556  39.325 150.065 -32.160
-  92.276  42.689 129.859 -76.576
-  92.725  44.866 136.984 -25.322
-  92.872  36.572 139.468-152.887
-  93.428  42.625 129.891 -86.605
-  93.513-133.492 139.974 -87.536
- 108.936 153.687 151.359 -27.405
-  99.085 132.252 138.719-141.194
-  92.516 114.323 147.215-109.251
- 119.464 -42.035 121.140-129.008
-  92.854 161.603 143.420-134.108
- 121.268-172.367 158.062-139.328
- 107.193 -85.693 147.999-145.036
-  93.797  57.890 134.051 -90.193
-  93.370  48.555 133.456 -87.647
-  92.865  49.628 137.233-100.878
-  91.940  43.725 132.070 -39.329
-  91.419  43.708 143.442-134.366
-  91.687  45.890   0.000   0.000
-  92.018  41.084 133.865-117.504
-  93.302  38.226 139.870 -92.686
-  93.152  38.035 136.277-104.725
-  92.570  41.430 115.257 -76.379
-  92.263  54.688 149.471-125.211
-  93.306  59.443 139.004 -97.180
-  93.951 -15.112 109.368 -83.602
- 120.191-137.032 152.371 -18.957
- 119.420 116.193 121.725-130.052
-  91.271  48.220 115.984 -76.169
-  92.736  60.269 137.996-106.282
-  90.303  42.447 115.880 -75.745
-  92.515  37.819 129.388 -76.185
-  91.328  38.256 142.921-133.043
-  91.102  46.824 145.635 -40.654
-  90.814  41.023 144.275 -42.951
-  91.884  36.250 129.298 -76.110
-  92.153  44.392 130.368 -85.150
-  92.276  41.530 129.250 -76.175
-  92.402  37.199 138.452 -78.352
-  92.653  40.641 137.265 -91.643
-  91.199  46.316 145.941-112.845
-  91.472  42.445 142.374-131.854
-  92.466  65.034 142.985-124.510
-  93.019   0.000 129.405 -76.259
- #   3 total E   -2.41973E+02 rmsd from N    0.000 %NC  0.00    1
-  93.692  55.465 139.291-110.889
-  93.701  48.531 140.166-105.969
-  94.618  31.539 143.855-133.949
-  92.632  43.467 129.532 -76.208
-  92.418  41.034 138.938-151.900
-  91.305  37.461 140.441-155.422
-  91.639  40.651 128.836 -87.728
-  88.089  43.111 137.165 -87.470
-  90.000  48.197 142.501-100.533
-  90.637  52.658 136.734-141.420
-  92.523  60.379 146.613 -39.747
- 119.365 -71.667 121.350-129.028
-  94.460 176.579 143.655-134.504
- 110.367 157.916 152.344 -26.268
- 105.232 -91.542 147.224-143.295
-  93.754  51.666 134.046 -90.378
-  93.335  57.319 133.468 -87.487
-  92.835  72.649 135.884 -96.012
-  91.582  53.003 137.785 -39.078
-  90.757  42.088 143.375-134.742
-  90.879  46.864   0.000   0.000
-  90.826  57.382 136.853-121.428
-  91.369  38.576 138.500 -90.865
-  92.787  38.994 136.230-104.487
-  92.031  42.996 115.345 -76.205
-  91.416  49.428 149.762-130.882
-  92.701  35.310 140.914-108.601
-  91.213  57.750 142.489-123.767
-  93.454  46.285 143.048-122.987
- 119.670 146.637 122.516-130.676
-  91.673  43.900 116.099 -76.200
-  93.511  41.847 137.437-102.722
-  92.127  37.707 116.218 -75.716
-  92.689  40.761 129.348 -76.206
-  91.140  39.377 142.542-132.691
-  92.063  41.262 145.701 -39.710
-  91.868  38.205 144.933 -40.650
-  92.322  38.260 129.377 -76.200
-  92.786  43.149 130.092 -87.612
-  92.683  36.437 129.305 -76.225
-  93.107  39.320 138.857 -77.827
-  93.112  39.093 137.221 -91.015
-  92.019  46.278 144.942 -41.207
-  91.575  42.081 142.421-133.477
-  92.454  63.371 143.026-124.178
-  93.022   0.000 129.413 -76.268
- #   4 total E   -2.38736E+02 rmsd from N    0.000 %NC  0.00    1
-  93.670  77.753 138.890-104.806
-  93.373  53.828 139.531-101.540
-  92.539  36.866 143.544-133.827
-  92.395  43.352 129.567 -76.212
-  92.029  38.264 137.878-146.251
-  90.768  39.176 137.842-147.688
-  91.702  45.390 129.089-103.060
-  87.923  44.442 138.812 -83.030
-  89.823  43.566 145.052-112.510
-  91.560  59.359 137.941-139.377
-  93.450 178.742 145.651 -38.706
-  91.902  74.015 100.707-114.485
-  90.290  48.653 142.026-130.985
-  92.073  48.641 144.387 -39.573
-  91.085  39.815 142.176-136.922
-  92.518  44.504 133.282 -93.556
-  92.449  49.692 130.369 -86.157
-  92.657  87.356 133.374 -86.942
-  91.706  51.812 136.897-116.936
-  92.071  30.521 143.481-133.297
- 113.744 -54.119   0.000   0.000
- 127.134 169.901 157.503 172.317
-  92.762  56.599 139.598 -87.934
-  93.325  37.608 136.822-105.424
-  92.255  43.371 116.153 -76.009
-  93.426  37.782 146.971 -37.153
-  93.841  58.356 140.987 -96.470
-  92.216   5.774 142.997-125.242
- 113.907-154.071 151.541 -20.286
- 119.061 122.257 122.728-131.771
-  90.963  44.222 115.932 -76.153
-  92.523  64.768 135.290 -95.949
-  90.704  47.947 115.342 -75.395
-  92.691  34.680 129.389 -76.178
-  92.814  35.614 143.444-134.218
-  91.761  46.382 146.018 -40.754
-  90.422  42.169 144.276 -44.343
-  91.423  37.234 129.266 -76.087
-  91.818  43.895 129.501 -87.991
-  92.286  38.823 129.165 -76.080
-  92.733  39.142 137.976 -75.476
-  92.847  39.590 137.301 -90.716
-  91.780  47.288 144.807 -41.416
-  91.309  41.951 142.155-131.379
-  92.478  63.856 143.024-124.314
-  93.022   0.000 129.414 -76.269
- #   5 total E   -2.39043E+02 rmsd from N    0.000 %NC  0.00    1
-  93.639 103.775 136.927 -96.107
-  93.714  46.680 139.471-104.336
-  94.077  36.183 144.073-135.181
-  92.685  39.615 129.864 -76.644
-  92.586  41.542 139.985 -23.221
-  89.715  38.886 138.799-149.712
-  91.804  42.492 129.656 -85.861
-  89.951  37.257 140.845 -85.520
-  91.311  44.492 145.134 -41.789
-  92.953  52.923 137.100-140.271
-  92.613  44.112 149.587-116.914
-  92.989  42.551 101.015-114.733
-  93.384  83.840 141.809-131.807
- 115.691 -86.273 155.765-135.320
- 110.842 -97.926 149.383-147.774
-  94.269  72.317 134.480 -90.541
-  93.673  40.203 133.487 -88.163
-  92.969  86.738 136.801 -99.814
-  94.451 119.792 138.681-151.790
-  92.599  42.343 143.617-133.649
-  93.417 159.636   0.000   0.000
- 143.065 -69.039 110.569 -89.571
-  92.448  48.742 140.474 -88.920
-  93.716  32.684 134.706-102.054
-  93.154  41.812 115.514 -76.306
-  91.827  57.725 148.496-128.435
-  92.841  56.664 141.613 -92.668
-  90.335  40.523 142.007-123.095
-  93.912  44.203 143.666-124.396
- 121.323 164.768 121.460-128.441
-  92.892  50.384 116.285 -76.348
-  93.363  45.021 137.545-104.125
-  90.243  48.720 116.405 -75.640
-  91.844  40.544 129.267 -76.162
-  87.812  44.887 141.726-130.633
-  90.609  47.300 144.759 -41.440
-  90.890  39.801 143.456 -41.298
-  92.103  37.348 129.328 -76.121
-  92.871  43.208 129.960 -87.855
-  92.864  36.150 129.274 -76.192
-  93.054  39.328 139.171 -75.845
-  93.074  38.730 137.278 -90.866
-  92.009  46.579 144.919 -41.237
-  91.510  41.935 142.311-132.958
-  92.465  63.518 143.021-124.208
-  93.025   0.000 129.426 -76.277
- #   6 total E   -2.34335E+02 rmsd from N    0.000 %NC  0.00    1
-  93.638  76.920 138.281-102.464
-  93.464  50.212 139.421-102.119
-  92.664  38.112 143.606-133.981
-  92.504  40.933 129.444 -76.199
-  91.879  40.665 138.644-146.689
-  91.744  37.203 138.645-148.137
-  92.721  39.773 129.154 -88.366
-  90.115  40.768 139.297 -84.622
-  91.228  50.253 144.361 -42.787
-  90.625 103.680 136.795-141.040
-  94.313-143.307 145.068 -39.736
-  91.721  59.260 100.656-112.966
-  89.415  65.697 141.585-129.158
-  92.054  82.884 144.748 -39.151
-  92.057  89.008 142.154-135.686
-  95.245 -50.435 132.179 -93.144
-  95.730 -72.586 134.407 -86.788
-  94.728 -94.486 139.864-105.721
- 117.201-103.250 143.546-118.079
-  92.725  47.603 143.926-135.759
-  92.558  41.583   0.000   0.000
-  91.466  60.933 140.035-130.018
-  89.110  39.389 138.322 -92.264
-  92.338  44.700 135.786-103.316
-  90.979  46.795 115.906 -75.477
-  91.058  45.646 147.034-109.694
-  94.034  42.411 139.366-108.667
-  95.163 -94.326 144.338-126.974
- 118.012 -78.946 153.057 -20.040
- 119.834 122.936 122.256-130.330
-  92.004  46.441 116.116 -76.249
-  92.881  99.382 136.257 -99.972
-  92.780  51.858 115.438 -76.380
-  92.379  37.775 129.382 -76.162
-  90.946  42.770 142.860-132.803
-  91.446  39.356 146.712-114.254
-  91.753  41.793 145.624 -39.840
-  91.905  38.811 129.308 -76.117
-  92.087  42.595 129.999 -87.416
-  92.406  38.818 129.304 -76.208
-  92.756  39.008 138.133 -74.411
-  92.873  39.582 137.332 -90.734
-  91.819  46.858 144.813 -41.399
-  91.402  41.997 142.224-131.806
-  92.479  63.644 143.017-124.419
-  93.022   0.000 129.413 -76.268
- #   7 total E   -2.33392E+02 rmsd from N    0.000 %NC  0.00    1
-  93.609  63.508 137.780-102.344
-  93.639  51.010 140.239-104.391
-  93.093  37.018 143.763-134.498
-  92.404  40.308 129.796 -76.542
-  93.137  43.341 141.919 -21.024
-  89.364  40.295 138.413-156.829
-  90.659  44.519 128.347 -87.211
-  86.949  46.343 138.546 -87.739
-  89.821  42.547 143.646 -42.709
-  90.687  56.678 139.129-140.786
-  92.543  67.452 145.975 -39.996
- 116.631 -64.683 122.775-132.483
- 121.572-100.414 112.636 -83.969
-  92.882  76.640 146.065 -38.878
-  91.465  54.351 142.993-133.654
-  92.994  47.247 133.481 -81.912
-  93.435  43.747 132.095 -93.466
-  93.650 119.662 137.482 -99.859
- 119.771 -97.849 141.580 -96.737
-  93.822 -12.352 143.573-133.400
- 113.358-105.266   0.000   0.000
- 146.059 -48.593 114.799 -91.871
-  96.960  34.981 140.909 -87.365
-  94.124  42.332 140.676-100.992
-  94.110  35.250 116.059 -76.826
-  94.011 141.031 151.634-133.373
-  93.830  49.995 141.384-115.107
-  91.705  54.159 142.781-124.279
-  92.846  60.027 143.144-123.082
- 119.340 157.531 122.117-130.722
-  94.395  39.749 116.531 -76.473
-  93.483  41.297 137.310-102.734
-  90.465  42.977 115.569 -76.561
-  91.637  50.012 129.333 -76.204
-  86.858  45.751 141.202-130.019
-  90.673  42.511 143.934 -40.354
-  92.331  35.622 144.260 -41.844
-  93.033  39.032 129.389 -76.171
-  93.699  39.796 130.319 -87.529
-  92.817  38.096 129.619 -76.454
-  92.940  38.441 138.362 -73.562
-  93.026  39.602 137.326 -90.449
-  91.942  46.176 144.881 -41.293
-  91.516  42.279 142.369-132.934
-  92.441  63.347 142.994-124.184
-  93.022   0.000 129.415 -76.271
- #   8 total E   -2.17284E+02 rmsd from N    0.000 %NC  0.00    1
-  94.267 -57.197 135.159 -95.427
- 120.394-102.683 150.338 -98.141
-  96.714   9.855 150.420 -30.499
-  94.323-102.858 129.568 -76.367
- 116.217-164.752 149.405-169.732
- 128.688  36.891 147.488  -1.123
-  95.062  28.183 130.835 -81.567
-  92.285  76.844 143.578 -89.557
-  91.104  62.595 143.429 -41.922
-  89.779  80.378 138.398-138.525
-  92.686-137.120 145.998-107.176
-  92.390  77.781 100.335-112.237
-  92.939  49.225 110.212 -83.220
-  92.689  79.048 145.745 -37.648
-  92.864  32.068 142.093-132.730
-  93.370  49.350 133.540 -90.643
-  93.588  92.818 130.820 -97.732
-  93.635  89.142 134.694 -94.429
-  93.751  54.792 140.283-112.568
- 110.476 -72.355 149.098-145.495
-  93.837 177.278   0.000   0.000
- 125.110  48.580 154.197 176.195
-  92.163  40.765 141.218 -89.358
-  92.817  42.476 138.609-102.108
-  91.474  40.314 115.472 -76.178
-  91.670  43.542 149.259-113.753
-  93.370  45.442 139.791-101.722
-  92.122  30.645 142.925-124.517
- 114.118-119.487 111.225 -82.488
- 120.970 153.590 121.139-128.316
- 125.995 -70.893 122.513 -79.987
-  93.908  49.840 137.353-101.258
-  92.882  36.959 116.599 -76.280
-  92.378  43.483 129.374 -76.262
-  88.971  44.756 141.914-132.707
-  91.004  42.135 145.287 -40.962
-  91.336  40.172 145.158 -39.329
-  92.051  37.619 129.302 -76.117
-  92.417  43.063 129.797 -87.932
-  92.465  37.994 129.269 -76.223
-  92.915  38.823 137.750 -74.058
-  93.065  39.667 137.304 -90.685
-  91.987  46.048 144.917 -41.246
-  91.583  42.255 142.464-133.505
-  92.441  63.315 143.015-124.154
-  93.024   0.000 129.412 -76.268
- #   9 total E   -2.23964E+02 rmsd from N    0.000 %NC  0.00    1
-  93.700  91.382 138.917-104.388
-  93.496  49.363 139.482-102.292
-  92.268  39.476 143.580-132.664
-  92.492  40.073 129.504 -76.247
-  92.846  43.234 142.639-153.483
-  92.362  33.959 138.767-150.850
-  92.483  47.885 131.257 -86.915
-  90.223  68.376 137.055 -85.221
-  91.961  31.802 145.716-113.518
- 118.345 -91.699 146.530  -8.506
- 103.949 167.284 149.988 -32.938
- 121.654 -92.137 120.769-127.097
-  95.112 146.157 149.866 -30.955
-  93.533 -90.028 149.611-119.924
-  93.292 140.111 143.840-137.240
- 118.471-166.422 153.049-133.738
-  95.182  31.493 132.286 -90.536
-  94.607 177.317 138.436-101.675
-  93.511  54.662 141.407-137.817
-  92.794  37.717 143.762-137.328
-  92.260  48.351   0.000   0.000
-  90.956  55.992 136.377-124.635
-  89.994  40.267 139.704 -89.969
-  92.601  40.106 136.125-104.499
-  91.787  41.821 115.391 -76.186
-  91.502  54.548 148.806-117.243
-  93.680  63.859 138.254 -98.005
-  92.538 -14.094 142.998-124.928
- 118.371-144.275 152.109 -19.335
- 118.967 122.456 122.379-131.162
-  90.617  44.975 115.888 -76.110
-  92.368  53.058 135.277 -94.982
-  90.501  44.771 115.001 -75.397
-  92.342  35.158 129.353 -76.169
-  90.371  40.477 142.607-132.457
-  91.497  42.239 144.167 -43.101
-  91.205  39.865 144.685 -42.474
-  91.975  37.765 129.299 -76.112
-  92.216  42.994 129.776 -87.793
-  92.323  39.830 129.291 -76.199
-  92.693  37.507 137.612 -75.509
-  92.900  40.672 137.279 -90.823
-  91.835  46.050 144.526 -41.909
-  91.529  42.324 142.395-133.052
-  92.441  63.392 143.019-124.162
-  93.021   0.000 129.414 -76.268
- #  10 total E   -2.40469E+02 rmsd from N    0.000 %NC  0.00    1
-  93.664  78.084 138.723-103.970
-  93.620  50.527 139.529-102.447
-  92.588  37.305 143.577-133.909
-  92.363  43.075 129.442 -76.159
-  91.663  42.478 141.102-147.844
-  92.730  34.315 138.642-150.029
-  92.799  38.546 129.486 -87.872
-  88.120  56.400 141.278 -88.108
-  89.286  50.965 143.020 -45.603
-  88.120  93.725 137.348-139.364
-  93.537-157.705 145.614 -41.328
-  93.248  59.007 100.662-113.231
-  94.183  35.000 143.414-134.205
-  93.942  90.940 147.475 -36.454
-  92.624  46.288 142.994-136.805
-  92.599  41.081 132.878 -90.967
-  92.970  50.698 132.241 -85.078
-  92.982  47.129 133.197 -70.255
-  94.903  30.188 140.603-136.792
-  98.040  33.783 145.398-138.011
-  98.210  33.025   0.000   0.000
-  95.845  41.799 140.012-132.994
-  93.150  33.101 138.938 -92.286
-  93.216  38.119 136.425-105.097
-  92.035  45.022 115.310 -76.179
-  92.724  38.434 145.270 -40.613
-  94.366  44.422 139.494-107.806
-  95.992 -14.807 144.758-127.868
- 124.914-145.533 153.138 -17.958
-  92.794  77.075  99.880-114.562
-  91.443  56.026 116.086 -76.208
-  92.401  58.754 136.418 -99.041
-  89.861  49.496 115.396 -75.352
-  92.513  36.540 129.357 -76.158
-  92.338  35.420 143.278-133.881
-  91.489  45.481 146.156 -41.430
-  90.062  43.371 143.705 -44.137
-  91.400  38.703 129.255 -76.083
-  91.479  42.774 129.363 -88.417
-  92.055  39.895 129.109 -76.119
-  92.571  40.241 136.523 -73.775
-  92.674  42.834 137.394 -90.359
-  91.652  44.477 144.690 -41.579
-  91.768  43.357 143.346-134.125
-  92.387  63.004 142.951-124.259
-  93.021   0.000 129.416 -76.267
- #  11 total E   -2.36570E+02 rmsd from N    0.000 %NC  0.00    1
-  93.649  80.636 138.407-102.477
-  93.540  49.456 139.289-102.281
-  92.625  38.884 143.599-133.995
-  92.460  40.478 129.464 -76.221
-  92.210  42.999 140.589-148.500
-  91.819  34.740 138.784-148.930
-  92.522  42.573 129.928 -86.032
-  90.220  37.491 138.696 -85.734
-  91.223  51.239 147.902-111.020
-  91.384  48.258 137.952-140.473
-  91.750  50.854 148.474-117.070
- 121.211-111.471 120.177-126.435
-  92.525 110.830 110.995 -83.136
-  92.468  59.575 147.974-117.338
-  92.903  37.855 144.480-131.397
-  93.469  39.558 133.326 -91.456
-  93.566  41.122 133.105 -94.040
-  93.036  47.039 137.827 -92.304
-  93.088  45.353 138.795-118.567
-  93.536  19.215 143.943-134.249
- 121.508-124.880   0.000   0.000
- 126.153-116.758 158.311 175.971
-  91.995  41.847 142.505 -91.354
-  92.822  46.075 136.824-105.121
-  91.279  58.253 115.430 -76.078
-  91.757  98.266 149.051-117.672
-  93.659  50.728 139.840-111.206
-  92.693  84.843 143.242-125.060
-  95.343-152.627 145.024-127.825
- 121.520   7.550 121.067-127.940
-  93.800  48.301 116.469 -76.413
-  92.924  37.465 137.200-102.266
-  90.154  51.511 115.188 -75.738
-  91.914  42.337 129.273 -76.146
-  89.983  36.889 142.358-132.147
-  91.884  43.804 144.701 -38.739
-  91.275  38.454 144.413 -43.865
-  92.094  38.038 129.314 -76.128
-  92.363  42.555 129.787 -85.063
-  92.443  39.263 129.366 -76.310
-  92.678  36.728 138.503 -78.331
-  92.372  42.794 137.075 -90.663
-  90.606  54.989 143.788 -44.525
-  89.783  42.757 142.011-131.324
-  92.481  78.345 143.043-124.677
-  93.008   0.000 129.363 -76.184
- #  12 total E   -2.42413E+02 rmsd from N    0.000 %NC  0.00    0
-  93.857 113.249 140.013-108.288
-  93.333  51.982 139.450-100.882
-  90.966  42.338 143.069-132.819
-  92.221  40.476 129.380 -76.183
-  92.711  43.744 142.689-144.565
-  95.090  30.368 139.056-150.041
-  94.525  36.347 130.837 -87.101
-  92.344  40.454 139.361 -86.548
-  90.871  44.803 144.569 -42.627
-  90.960  49.742 137.753-140.521
-  93.520  41.479 147.630 -37.601
-  92.186  43.659 102.811-112.916
-  89.520  45.679 141.360-130.117
-  91.940  83.724 145.176 -40.388
-  90.990  58.397 143.639-128.617
-  93.263  46.739 133.751 -90.771
-  94.256  28.508 131.695 -88.434
-  94.519 146.388 139.611-112.922
-  94.890  57.925 139.735-112.747
-  95.839  35.436 144.711-136.888
-  96.908  36.272   0.000   0.000
-  94.497  48.789 140.740-129.921
-  91.412  37.574 138.210 -90.930
-  92.705  39.888 136.150-104.465
-  92.686  38.931 115.473 -76.308
-  92.426  43.403 150.996-122.492
-  93.357  40.448 139.706 -97.542
-  91.916  49.786 142.849-124.461
-  93.873 176.257 143.505-125.095
-  92.428  69.047  99.897-115.101
-  90.907  47.820 116.010 -76.132
-  92.756  44.844 135.117 -89.508
-  91.377  38.722 115.754 -76.470
-  92.406  39.449 129.344 -76.175
-  89.595  42.804 142.102-131.577
-  91.414  42.859 143.754 -41.198
-  92.185  35.973 144.950 -41.273
-  92.448  37.816 129.338 -76.137
-  92.752  43.758 129.117 -97.890
-  92.254  41.125 129.379 -76.116
-  92.684  37.498 138.034 -78.815
-  93.360  38.504 137.152 -91.981
-  91.668  49.314 149.017-117.644
-  90.671  45.317 143.161-136.610
-  91.309  76.595 142.470-123.266
-  93.017   0.000 129.310 -76.225
- #  13 total E   -2.31080E+02 rmsd from N    0.000 %NC  0.00    1
-  93.761 106.844 138.980-104.200
-  93.402  54.245 140.931-106.502
-  91.993  38.735 143.394-133.530
-  92.296  40.596 129.439 -76.187
-  92.058  43.335 142.236-152.021
-  91.581  35.397 139.157-152.090
-  92.538  39.145 129.692 -86.943
-  89.350  42.391 137.917 -84.497
-  90.797  49.414 143.271 -45.850
-  90.944  43.134 136.612-141.095
-  92.210 129.368 147.940-114.093
-  93.295  77.044 100.499-111.037
-  92.361  90.052 142.933-133.981
-  93.580-140.990 148.555-118.763
-  93.198  58.457 143.582-135.360
-  93.467  45.557 132.793 -90.124
-  93.275  73.658 136.389 -77.036
-  93.198  47.010 137.839-110.979
-  93.224  83.634 140.055-106.471
- 131.472 -40.946 113.655 -84.232
-  96.495 155.254   0.000   0.000
- 124.197-137.607 159.577 170.110
-  95.099  39.326 141.527 -91.810
-  94.148  32.626 137.320-103.003
-  92.651  45.533 115.684 -76.267
-  92.082  58.848 144.513 -43.590
-  92.927  51.151 139.425 -98.377
-  90.842  54.509 142.296-123.431
-  93.362-171.656 143.298-124.574
-  93.111  69.777  99.872-114.631
-  91.531  44.051 116.086 -76.208
-  92.803  51.159 137.445-101.350
-  91.904  37.756 115.477 -76.008
-  93.188  37.130 129.453 -76.225
-  98.004  27.420 144.911-137.554
-  95.869  36.880 147.262 -36.343
-  93.101  37.143 150.224-127.440
-  92.815  37.912 129.400 -76.175
-  93.381  37.626 131.173 -85.622
-  92.675  39.514 129.406 -76.249
-  93.089  36.632 137.548 -83.023
-  92.995  42.490 137.084 -92.784
-  90.997  46.191 146.257-114.049
-  91.498  43.015 142.270-133.030
-  92.406  65.233 143.011-124.157
-  93.018   0.000 129.406 -76.259
- #  14 total E   -2.34797E+02 rmsd from N    0.000 %NC  0.00    1
-  93.613  72.800 137.820-100.967
-  93.689  52.330 141.432-109.337
-  92.573  35.688 143.596-133.982
-  92.232  43.683 129.462 -76.189
-  91.505  44.810 140.234-147.459
-  91.087  36.328 138.910-154.253
-  91.710  40.778 129.102 -89.057
-  89.083  51.987 138.420 -86.560
-  91.333  93.823 141.952 -45.731
- 103.574 -40.798 139.914-149.181
- 109.423 149.731 153.048 -26.373
- 119.354-136.756 121.453-129.391
-  94.443  37.915 143.882-136.680
-  92.835  48.092 145.730 -39.403
-  90.968  48.511 144.076-138.677
-  92.583  43.486 134.542 -91.635
-  93.195  33.464 130.972 -88.946
-  93.388 105.893 137.651 -99.405
-  94.491  89.291 147.661-141.173
-  94.114  25.202 150.212 -31.823
-  94.385  48.008   0.000   0.000
-  92.811  37.274 131.051 -38.509
-  92.042  43.462 143.059 -93.441
-  92.396  35.786 136.143-102.680
-  90.471  45.476 115.175 -76.218
-  90.991  48.788 143.771 -43.466
-  92.953  45.146 139.047 -95.377
-  91.197  57.378 142.424-123.579
-  96.690  41.222 149.797 -23.917
- 121.438-134.062 121.381-128.151
-  92.300 108.223 116.261 -76.325
-  93.909 150.297 136.426 -97.490
-  92.155  52.685 116.216 -76.056
-  92.622  41.412 129.395 -76.168
-  91.022  38.569 142.861-132.381
-  90.449  45.599 149.042-125.832
-  90.528  41.000 144.410 -42.050
-  91.618  37.897 129.298 -76.104
-  91.571  44.669 130.240 -80.882
-  92.171  42.058 129.212 -76.230
-  92.452  34.575 137.731 -78.708
-  92.217  48.160 137.137 -90.641
-  90.644  53.706 143.362 -45.920
-  89.928  44.877 142.036-129.725
-  91.937  75.959 142.775-123.659
-  93.023   0.000 129.362 -76.235
- #  15 total E   -2.40812E+02 rmsd from N    0.000 %NC  0.00    1
-  93.730  89.397 139.575-107.252
-  93.265  51.875 139.508-101.723
-  91.746  40.524 143.311-133.125
-  92.422  40.059 129.321 -76.019
-  92.768  41.692 140.597-143.733
-  93.275  34.235 138.483-149.955
-  92.323  44.350 131.733 -97.648
-  87.560  58.950 142.503 -87.923
-  88.264  50.980 146.117-106.716
-  87.013  57.943 138.469-140.440
-  91.998 165.452 143.313 -42.969
- 119.542  63.250 122.090-130.144
-  93.960  34.518 143.751-134.961
-  94.103  43.739 145.769 -39.056
-  93.097  45.754 111.132 -83.043
-  92.675  43.695 132.455 -94.291
-  93.077  34.962 130.862 -88.772
-  93.920 121.076 141.245-110.071
-  92.429  58.211 144.303 122.389
-  90.940  37.876 143.146-133.126
-  94.510  42.145   0.000   0.000
-  93.588  38.662 136.653-117.333
-  94.406  36.515 138.760 -91.323
-  93.382  39.749 136.370-105.191
-  93.052  39.111 115.317 -76.541
-  92.602  47.224 150.490-124.871
-  93.721  65.254 140.292 -99.686
-  92.674 -39.614 143.057-124.823
- 119.540-119.017 152.412 -19.182
- 118.190 106.775 122.281-131.502
-  91.032  66.943 115.973 -76.150
-  93.028  88.011 134.713-101.997
-  92.217  45.034 115.884 -76.203
-  92.494  38.931 129.386 -76.168
-  91.101  41.416 142.900-132.796
-  90.924  42.512 147.879-122.704
-  90.758  40.104 144.173 -41.957
-  91.840  40.212 129.313 -76.122
-  92.378  44.403 130.882 -85.062
-  92.519  34.167 129.260 -76.161
-  93.062  43.575 139.129 -84.645
-  92.764  54.482 137.172 -91.257
-  91.013  40.891 146.333-115.113
-  92.229  47.367 145.303-135.319
-  92.247  63.903 142.896-124.119
-  93.020   0.000 129.416 -76.259
- #  16 total E   -2.41640E+02 rmsd from N    0.000 %NC  0.00    1
-  93.621 120.739 134.961 -87.873
-  94.030  42.147 141.161-108.765
-  94.652  33.829 144.240-135.594
-  92.713  41.123 129.780 -76.607
-  92.884  41.009 135.537 -28.124
-  93.300  34.892 139.845-149.169
-  94.258  38.777 130.657 -86.356
-  94.966  31.409 139.346 -85.975
-  93.794  41.216 146.087 -39.929
-  93.917  57.455 139.380-145.624
-  92.728  68.630 146.531 -39.549
- 118.268-119.705 121.332-129.659
- 121.633 -94.704 113.002 -83.786
-  92.944  49.563 145.767 -39.940
-  92.214  40.925 143.358-134.450
-  92.749  48.791 133.228 -82.317
-  93.187  34.918 133.029 -87.095
-  92.955  51.980 139.587-103.256
-  91.884  38.569 138.898-111.783
-  96.875-114.275 144.586-132.621
-  93.629 133.475   0.000   0.000
-  93.480  44.626 135.053-119.854
-  94.627  34.283 138.097 -90.852
-  93.853  38.558 136.726-105.800
-  94.536  38.159 115.562 -76.580
-  93.080  38.230 149.530-127.599
-  93.600  46.092 143.268-119.662
-  91.304  48.349 142.572-123.813
-  92.618  46.837 142.804-122.750
- 120.495 167.473 121.723-129.477
-  93.684  44.304 116.417 -76.420
-  93.528  40.043 137.399-103.084
-  90.353  47.391 116.605 -76.180
-  91.919  41.777 129.272 -76.146
-  88.100  42.416 141.738-130.860
-  91.099  43.194 144.963 -40.912
-  91.169  40.074 144.830 -40.676
-  92.001  37.537 129.308 -76.120
-  92.385  43.011 129.796 -87.912
-  92.478  37.909 129.251 -76.210
-  92.930  38.823 137.802 -74.530
-  93.065  39.627 137.301 -90.771
-  91.989  46.054 144.915 -41.249
-  91.585  42.225 142.453-133.484
-  92.445  63.323 143.015-124.162
-  93.022   0.000 129.413 -76.268
- #  17 total E   -2.38240E+02 rmsd from N    0.000 %NC  0.00    1
-  93.710  94.428 138.935-104.388
-  93.411  49.467 139.476-101.905
-  91.736  41.043 143.314-133.343
-  92.379  39.584 129.484 -76.267
-  92.508  43.406 143.815-147.894
-  94.340  30.750 138.996-149.955
-  94.400  37.067 131.162 -85.278
-  92.010  39.501 140.454 -85.692
-  91.910  47.940 143.738 -43.525
-  91.875  50.374 139.101-142.183
-  91.575  48.833 148.611-115.857
- 120.280-111.032 120.961-128.127
-  91.743 113.413 142.848-135.071
-  92.455 115.607 148.458-120.516
-  92.214  52.575 143.011-135.706
-  93.572  48.675 133.081 -90.578
-  96.181 173.145 133.547 -82.028
-  94.589 160.000 138.174-104.108
- 119.776-127.570 142.804-120.821
-  93.757  67.507 144.266-135.251
-  94.219 107.692   0.000   0.000
-  92.765  63.563 140.018-129.491
-  90.370  38.927 138.981 -90.456
-  92.602  41.647 136.136-104.831
-  91.979  43.227 115.435 -76.070
-  91.899  36.587 147.510-110.958
-  94.392  48.950 139.924-111.648
-  94.751   4.223 144.177-126.708
- 123.654 142.352 152.658 -18.352
- 121.750 147.975 120.722-127.114
-  94.615  30.710 116.542 -76.510
-  93.655  44.716 137.341-102.306
-  90.625  45.322 116.544 -76.156
-  92.132  42.012 129.354 -76.173
-  89.456  38.143 142.224-131.687
-  91.162  46.425 144.522 -40.704
-  90.918  37.964 142.717-107.026
-  92.794  38.296 129.401 -76.173
-  93.750  36.373 130.221 -88.254
-  92.926  39.502 129.511 -76.374
-  93.188  37.557 138.152 -84.914
-  93.045  40.010 137.017 -92.234
-  91.872  46.569 144.853 -41.330
-  91.435  42.132 142.297-132.343
-  92.459  63.613 143.022-124.241
-  93.020   0.000 129.414 -76.267
- #  18 total E   -2.41173E+02 rmsd from N    0.000 %NC  0.00    1
-  93.931 128.130 139.888-105.545
-  93.236  57.871 141.657-110.554
-  90.727  40.416 142.979-132.674
-  92.112  41.531 129.376 -76.110
-  92.129  41.637 141.018-144.674
-  91.742  36.566 140.727-150.253
-  92.548  40.074 129.399 -87.344
-  90.660  40.307 139.050 -85.365
-  91.116  44.957 147.993-114.972
-  92.467  32.695 136.990-140.362
-  93.293 140.181 146.342 -39.806
-  94.052  70.069  99.902-112.134
-  95.531  26.570 143.999-136.020
-  95.107  45.832 147.031 -38.083
-  92.965  41.489 144.030-132.414
-  93.156  45.029 134.683 -95.941
-  94.182  46.462 131.212 -88.681
-  94.478 -14.821 136.938 -87.863
- 124.681-169.844 146.401-144.593
-  94.183  77.880 111.390 -82.928
-  94.718  66.118   0.000   0.000
-  93.626  37.636 136.564-123.165
-  92.892  38.143 139.671 -92.356
-  92.987  40.293 136.189-104.319
-  91.969  41.574 115.191 -76.332
-  91.253  42.725 148.030-114.956
-  93.610  39.219 139.905-102.333
-  92.964  53.653 143.321-125.404
-  93.788  45.251 143.274-123.693
- 121.773 173.650 121.779-128.790
-  91.108  56.489 116.020 -76.169
-  93.020  48.753 137.214-102.173
-  89.824  44.911 116.157 -75.410
-  92.082  40.799 129.346 -76.181
-  89.191  40.931 142.144-131.512
-  90.723  46.657 144.892 -40.595
-  90.602  41.673 144.032 -41.868
-  91.841  37.138 129.297 -76.104
-  92.349  41.973 129.693 -88.141
-  92.430  39.832 129.228 -76.156
-  92.673  38.291 136.690 -68.597
-  92.965  40.094 137.423 -90.029
-  91.913  46.026 144.863 -41.326
-  91.552  42.321 142.387-133.031
-  92.442  63.335 142.999-124.202
-  93.022   0.000 129.414 -76.267
- #  19 total E   -2.39435E+02 rmsd from N    0.000 %NC  0.00    1
-  93.631  75.054 138.173-102.105
-  93.589  50.108 139.460-102.558
-  92.985  36.994 143.726-134.178
-  92.474  41.739 129.560 -76.264
-  92.301  41.000 140.704-147.396
-  91.418  36.326 138.523-148.949
-  92.190  41.783 127.175 -82.281
-  90.373  41.309 137.699 -86.517
-  92.372  33.860 148.161-114.303
-  96.443  41.060 140.256-143.105
-  93.798 117.561 146.432 -41.249
-  94.427  80.454  98.942-108.688
-  97.772  21.890 144.675-137.695
-  95.566  48.765 148.128 -35.975
-  91.725  51.436 113.383 -82.579
-  92.565  42.550 133.222 -88.564
-  93.508  56.840 130.957 -88.620
-  94.003  10.769 136.945 -98.545
- 113.553-152.728 145.599-109.315
-  94.249  64.945 144.152-135.010
-  94.588 164.350   0.000   0.000
- 124.242  28.343 156.925 171.739
-  90.567  42.574 141.025 -89.007
-  92.696  39.622 136.350-104.957
-  91.609  40.509 115.198 -76.057
-  91.433  52.679 149.827-115.246
-  93.290  32.395 136.708 -91.197
-  92.489  60.060 143.112-125.066
-  93.993 162.527 142.974-124.962
-  92.722  51.976  99.938-114.880
-  90.805  46.968 115.979 -76.144
-  92.586  58.323 139.176-103.951
-  89.520  41.800 115.322 -75.774
-  92.166  39.466 129.341 -76.129
-  90.733  39.714 142.704-132.634
-  91.622  40.920 145.434 -40.689
-  90.592  40.577 147.713-114.964
-  92.262  36.854 129.346 -76.140
-  92.218  39.623 129.577 -88.145
-  92.036  42.339 129.317 -76.320
-  92.173  40.329 137.301 -78.710
-  91.976  43.579 137.268 -90.420
-  90.618  54.220 144.308 -42.273
-  90.137  41.539 140.941-122.741
-  92.588  67.161 143.094-124.354
-  93.026   0.000 129.420 -76.272
- #  20 total E   -2.46939E+02 rmsd from N    0.000 %NC  0.00    1
-  93.603  75.569 137.617 -99.768
-  93.693  50.748 140.057-106.087
-  92.984  35.840 143.706-134.165
-  92.448  42.445 129.468 -76.192
-  92.751  39.914 140.917-149.621
-  92.485  37.066 140.173-166.813
-  92.463  34.527 129.382 -87.307
-  88.754  50.102 139.305 -86.139
-  89.442  43.224 141.440 -47.876
-  92.427  58.198 137.848-142.471
-  95.059  76.026 147.098 -38.196
- 120.004-135.830 122.889-130.922
-  94.810  43.211 143.832-135.767
-  92.449  44.438 145.118 -38.699
-  90.480  42.804 141.702-132.864
-  93.203  49.474 132.976 -99.439
-  92.760  32.546 131.295 -89.443
-  93.462 128.173 139.123-114.172
-  93.722  63.173 139.112 -97.648
-  92.520  34.472 143.654-134.335
-  94.323  42.308   0.000   0.000
-  93.919  41.700 136.713-122.576
-  93.633  35.196 140.279 -94.102
-  92.791  39.577 136.313-104.559
-  91.067  62.925 115.445 -76.616
-  92.015  44.326 144.523 -41.911
-  93.723  36.425 138.579 -91.910
-  94.510  49.424 144.049-126.631
- 123.495-171.183 152.825 -18.604
-  92.812  75.265  99.875-114.546
-  91.485  46.406 116.127 -76.194
-  92.324  59.334 135.825 -85.010
-  90.543  38.408 115.406 -76.577
-  92.212  44.563 129.392 -76.178
-  88.382  61.022 141.867-130.589
-  90.082  52.098 147.848-121.086
-  91.192  37.276 144.829 -40.426
-  92.504  36.563 129.375 -76.135
-  92.821  42.705 130.368 -85.790
-  92.159  41.339 129.524 -76.519
-  91.633  41.370 139.015 -77.187
-  91.652  45.478 137.372 -89.820
-  90.418  48.820 142.997 -43.224
-  91.033  42.500 142.023-129.941
-  92.429  65.405 143.001-124.210
-  93.023   0.000 129.414 -76.271
- #  21 total E   -2.29802E+02 rmsd from N    0.000 %NC  0.00    1
-  93.623  70.025 138.067-102.408
-  93.575  52.295 139.797-102.897
-  92.979  36.202 143.720-134.250
-  92.462  42.735 129.491 -76.210
-  92.124  39.591 138.511-142.648
-  92.161  39.355 138.302-149.894
-  92.433  41.201 129.026 -88.320
-  90.075  50.158 140.681 -86.086
-  90.780  86.511 147.600-112.388
- 118.814-102.909 147.776-160.671
- 108.031 -54.998 154.028-122.112
- 120.176 -81.421 120.952-128.298
-  93.131  48.372 143.534-134.768
-  92.309  42.362 145.506 -40.011
-  89.617  48.052 141.774-130.311
-  92.335  42.699 130.587-102.998
-  93.009  46.802 130.955 -89.053
-  93.584  28.787 137.352 -98.007
- 108.241 176.541 143.790-105.619
-  94.607  79.772 144.248-135.004
-  95.242 155.208   0.000   0.000
- 125.824  54.857 159.758 166.730
-  91.964  38.300 141.929 -89.714
-  93.350  36.566 136.877-105.882
-  91.232  51.490 115.627 -76.003
-  91.508  57.484 144.766 -41.731
-  93.054  44.849 140.549-114.907
-  92.208  94.549 142.984-124.523
- 108.640-150.664 151.658-141.023
- 122.591   9.066 120.833-126.967
-  94.630  48.085 116.607 -76.488
-  92.930  38.306 137.550 -98.714
-  90.980  47.177 115.153 -76.106
-  92.313  44.120 129.311 -76.147
-  91.298  35.219 142.676-132.853
-  91.932  45.772 147.241 -37.655
-  89.668  44.400 148.874-118.366
-  91.598  36.411 129.301 -76.105
-  91.778  40.717 129.209 -87.932
-  92.074  42.541 129.177 -76.193
-  92.370  39.621 137.850 -85.736
-  92.240  40.946 136.971 -92.152
-  90.793  53.671 143.793 -42.364
-  90.655  40.775 139.585-127.904
-  92.582  66.790 143.100-124.422
-  93.025   0.000 129.417 -76.270
- #  22 total E   -2.31318E+02 rmsd from N    0.000 %NC  0.00    1
-  93.657  59.928 138.675-107.136
-  93.480  54.228 140.238-105.401
-  92.609  36.744 143.588-133.929
-  92.385  42.758 129.450 -76.173
-  91.993  38.063 136.242-133.894
-  93.930  38.070 138.285-149.311
-  93.722  37.810 131.029 -84.408
-  92.258  36.580 141.736 -87.262
-  92.391  41.894 149.065-122.686
-  95.130  56.072 139.526-141.523
-  92.633  70.675 149.103-118.270
- 119.726-116.691 121.893-129.791
- 112.822 -82.633 150.197-149.600
-  93.445  55.993 145.958 -38.823
-  91.524  38.088 143.142-134.156
-  92.385  53.633 133.719 -93.327
-  92.495  43.622 135.104 -93.922
-  92.177  38.716 137.000 -95.546
-  91.467  48.539 139.491-107.273
-  92.645  47.852 149.061 -34.534
-  92.222  96.870   0.000   0.000
- 122.240-150.381 155.528-176.352
-  94.390  44.875 142.192 -92.135
-  93.905  40.002 137.183-106.057
-  93.566  61.685 116.327 -76.106
-  92.172  81.617 148.368-119.257
-  93.581  56.439 140.617-116.590
-  93.108  76.541 143.373-125.265
- 118.833-150.485 152.744 -18.228
- 123.546   5.306 120.634-126.083
-  95.447  44.499 116.732 -76.570
-  93.085  40.576 139.150-101.711
-  91.419  44.788 115.428 -75.561
-  92.538  37.914 129.324 -76.175
-  92.560  33.682 143.049-132.971
-  92.307  47.179 147.428 -37.971
-  90.493  40.418 144.361 -42.648
-  91.440  37.229 129.256 -76.090
-  91.617  42.589 127.053 -97.088
-  91.902  44.209 129.196 -76.101
-  92.322  37.595 136.886 -74.932
-  92.901  39.105 137.287 -90.481
-  92.397  42.511 144.522 -41.355
-  92.665  41.734 142.645-133.844
-  92.637  61.755 143.056-125.924
-  93.021   0.000 129.411 -76.266
- #  23 total E   -2.41442E+02 rmsd from N    0.000 %NC  0.00    1
-  93.755  96.699 139.600-107.313
-  93.328  50.472 139.335-100.957
-  91.481  41.012 143.236-133.181
-  92.271  40.951 129.462 -76.207
-  92.291  43.191 142.556-148.728
-  92.244  34.090 138.177-147.596
-  92.683  43.868 129.196 -85.605
-  90.468  40.261 138.599 -87.565
-  89.921  54.087 148.318-122.436
-  90.292 107.793 136.023-140.559
-  93.847-135.707 146.827 -39.912
- 121.846  19.996 121.322-127.710
-  93.861  55.074 143.741-134.781
-  93.007 104.323 147.371 -37.210
-  92.833  54.863 144.453-140.036
-  92.449  32.982 132.856 -90.953
-  92.426  65.206 132.478 -84.330
-  92.849  52.152 128.768 -76.277
-  95.516  30.280 138.231-103.719
-  98.849  32.809 145.649-138.662
-  98.595  33.406   0.000   0.000
-  95.662  43.703 139.627-130.734
-  91.577  37.104 138.747 -92.229
-  92.304  42.737 136.043-104.065
-  90.585  48.994 115.458 -75.952
-  92.098  47.250 146.015 -37.361
-  93.701  48.487 140.302-116.268
-  94.287 -64.782 143.914-126.189
- 120.577-108.403 152.684 -19.031
- 119.793 108.798 122.120-130.357
-  92.452  46.418 116.206 -76.273
-  93.054  47.154 136.297 -98.657
-  91.139  42.384 116.175 -76.036
-  92.560  38.523 129.346 -76.172
-  91.383  37.334 142.829-132.962
-  91.309  49.296 146.361 -39.872
-  90.601  41.269 143.308 -42.777
-  91.863  36.345 129.306 -76.108
-  92.371  44.300 129.637 -87.666
-  92.636  37.891 129.113 -76.106
-  92.736  39.615 139.058 -77.811
-  92.769  38.756 137.241 -90.979
-  91.793  47.811 144.781 -41.425
-  91.254  41.581 142.138-130.443
-  92.526  63.998 143.047-124.590
-  93.022   0.000 129.413 -76.268
- #  24 total E   -2.38980E+02 rmsd from N    0.000 %NC  0.00    1
-  93.649  89.459 138.058-100.658
-  93.645  46.792 139.366-103.256
-  92.886  39.177 143.673-134.150
-  92.553  38.635 129.470 -76.251
-  93.317  44.536 145.950-155.984
-  93.931  30.782 139.971-150.907
-  94.037  36.233 130.520 -87.331
-  91.226  43.133 138.942 -85.330
-  90.673  47.677 144.045 -44.306
-  90.936  47.866 137.268-140.404
-  93.933  38.413 146.188 -38.367
-  93.332  41.168 101.614-111.637
-  91.244  45.928 143.591-134.613
-  92.189  33.427 145.430-115.057
-  92.462  55.173 141.967-131.466
-  93.658  99.612 132.046 -95.125
-  92.944  55.732 132.527 -93.348
-  93.009  39.557 137.267-101.931
- 105.087-166.277 140.784-105.973
-  94.534  85.024 144.975-137.249
-  93.091  44.928   0.000   0.000
-  91.221  51.854 135.284-121.832
-  91.545  43.853 138.357 -89.916
-  92.399  39.902 135.980-104.007
-  90.274  44.365 114.943 -76.090
-  92.758  55.744 145.497 -39.635
-  93.231  52.871 140.053-105.882
-  92.175  25.017 142.892-124.399
- 120.619-162.998 152.499 -18.662
-  93.008  70.640  99.845-113.903
-  90.765  70.633 116.020 -76.151
-  92.670  89.966 134.150 -93.110
-  91.817  48.863 116.415 -76.239
-  92.386  38.568 129.346 -76.143
-  89.762  44.060 142.448-131.733
-  90.172  52.621 151.155-127.448
-  90.871  37.295 144.465 -40.916
-  92.189  35.701 129.357 -76.130
-  92.732  44.982 130.514 -84.891
-  92.498  38.759 129.220 -76.192
-  92.871  36.017 138.522 -78.966
-  93.191  39.976 137.146 -91.833
-  92.159  44.476 144.080 -42.282
-  91.977  42.449 142.152-136.260
-  92.406  62.691 142.997-124.163
-  93.021   0.000 129.412 -76.267
- #  25 total E   -2.23479E+02 rmsd from N    0.000 %NC  0.00    1
-  93.657  72.577 138.703-104.676
-  93.590  53.665 139.391-103.103
-  93.368  37.218 143.840-134.684
-  92.475  40.744 129.875 -76.681
-  91.883  41.010 136.498 -27.397
-  91.027  41.070 139.364-149.930
-  92.546  40.310 129.340 -86.969
-  90.996  37.800 139.536 -84.565
-  92.396  44.787 145.280 -41.951
-  94.185  93.905 137.844-142.411
- 107.212-164.178 152.119 -28.512
-  93.349  57.068 100.604-112.181
-  93.560  29.523 143.183-133.619
-  92.404  69.318 147.062 -39.545
-  91.250  52.929 141.499-132.458
-  91.972  35.862 132.235 -92.198
-  91.937  58.464 130.399 -86.068
-  92.957  47.329 126.716 -84.716
-  93.469  47.139 137.120-167.703
-  95.171   3.910 111.344 -82.961
- 125.232-167.965   0.000   0.000
- 125.640  16.996 160.758 167.055
-  92.373  46.849 141.280 -89.854
-  93.215  36.527 136.408-105.288
-  92.276  42.513 115.200 -76.201
-  91.426  63.001 148.317-115.868
-  93.256  49.439 139.537 -96.699
-  92.922  35.778 143.246-125.178
-  98.740  26.872 149.928 -23.992
- 121.963 161.162 121.814-128.716
-  95.021  24.189 116.614 -76.565
-  94.646 143.187 137.778-104.623
-  96.310 -54.068 117.057 -76.685
-  93.497 -47.439 129.499 -76.313
-  95.536-132.058 111.798 -82.569
-  93.877  67.296 145.949 -39.774
-  91.840  43.344 149.807-120.080
-  92.231  41.271 129.358 -76.027
-  93.316  37.734 128.910 -93.699
-  92.553  41.919 129.506 -76.286
-  92.979  34.176 137.149 -82.817
-  92.342  51.111 135.926 -85.039
-  90.835  52.047 143.758 -46.648
-  90.891  39.699 149.913 -33.917
-  92.262  73.848 142.944-124.008
-  93.017   0.000 129.394 -76.227
- #  26 total E   -2.28913E+02 rmsd from N    0.000 %NC  0.00    1
-  94.658 -84.807 135.618 -99.012
-  93.926   9.511 137.976-103.996
-  96.277-170.953 145.256-132.489
-  93.130 118.446 129.425 -76.173
- 135.088 -67.474 105.931 -86.608
-  94.905  50.439 141.645-157.607
-  93.896  31.584 130.199 -89.613
-  91.738  45.919 141.434 -84.902
-  91.100  46.099 149.319-126.999
-  91.958  53.807 139.262-143.077
-  92.152  64.228 149.082-117.122
- 118.763-156.901 122.077-130.561
-  93.893  50.260 143.646-135.291
-  91.958  46.313 149.034-118.910
-  90.827  42.942 142.385-129.330
-  93.105  39.638 131.351 -95.593
-  93.362  44.299 131.475 -87.757
-  93.930  34.406 136.955-103.836
-  94.545 124.945 143.825 -42.935
-  94.157  47.317 111.328 -82.965
-  92.377  48.809   0.000   0.000
-  92.858  41.627 135.996-124.761
-  91.509  40.308 141.382 -92.354
-  92.752  35.325 136.028-103.927
-  91.089  43.451 115.062 -76.232
-  91.145  54.028 144.840 -42.845
-  92.715  50.676 138.649 -93.596
-  90.342  52.009 142.031-123.006
-  92.711-169.982 142.936-123.549
-  93.070  77.450  99.833-114.660
-  92.040  42.740 116.161 -76.237
-  93.181  45.129 138.577-111.854
-  89.842  41.312 115.431 -75.999
-  91.858  43.831 129.296 -76.118
-  89.264  41.700 142.006-131.426
-  91.931  37.904 144.170 -40.439
-  92.306  38.079 147.589-115.946
-  92.916  37.517 129.391 -76.190
-  93.732  37.978 131.067 -86.802
-  93.078  36.651 129.410 -76.267
-  93.942  36.070 137.945 -85.563
-  93.737  40.389 137.063 -92.845
-  91.712  43.378 146.705-114.192
-  92.378  43.257 141.980-138.337
-  92.390  63.971 142.966-124.405
-  93.022   0.000 129.406 -76.257
- #  27 total E   -2.40202E+02 rmsd from N    0.000 %NC  0.00    1
-  93.622  68.177 138.042-102.595
-  93.564  51.340 138.962-102.936
-  92.945  37.115 143.691-134.163
-  92.483  42.915 129.485 -76.196
-  92.567  37.106 137.765-142.855
-  92.542  39.621 140.792-159.196
-  92.428  37.954 129.352 -87.304
-  89.459  42.567 140.104 -85.270
-  90.476  52.844 143.116 -44.915
-  88.952  66.851 137.195-141.819
-  91.839 100.395 144.474 -42.071
-  93.711  60.526  99.560-109.420
-  94.533  74.861 143.632-135.010
- 110.062-173.483 153.806-135.784
-  95.665  52.139 144.289-136.866
-  94.010  30.899 133.444 -90.785
-  93.150  67.833 138.161 -88.332
-  93.107  44.970 132.626 -95.174
-  93.871  33.969 140.239 -94.475
-  95.742  36.861 144.661-136.425
-  96.083  32.614   0.000   0.000
-  97.633  40.781 153.364-148.551
-  93.675  33.645 137.666 -91.061
-  93.303  42.196 136.430-105.256
-  92.690  39.092 115.442 -76.320
-  92.570  48.087 151.689-123.648
-  93.399  33.571 140.327-101.911
-  93.059  48.862 143.399-125.493
-  95.163 162.497 143.804-127.092
-  92.775  58.455  99.836-114.473
-  90.779  52.769 115.957 -76.114
-  92.678  68.567 138.941-101.582
-  90.477  39.814 115.351 -76.237
-  92.121  42.544 129.349 -76.150
-  89.748  42.823 142.469-132.481
-  91.422  44.988 145.752 -37.926
-  91.118  36.994 144.585 -41.740
-  92.209  38.255 129.326 -76.123
-  92.539  45.193 131.687 -86.490
-  92.370  38.417 129.218 -76.117
-  93.208  34.692 137.865 -81.374
-  93.598  40.486 136.990 -92.650
-  92.298  43.897 144.704 -42.345
-  91.941  42.799 142.813-135.265
-  92.404  62.495 143.003-124.136
-  93.022   0.000 129.414 -76.268
- #  28 total E   -2.29193E+02 rmsd from N    0.000 %NC  0.00    1
-  93.929 126.212 140.000-106.156
-  93.242  54.970 139.055-100.280
-  91.679  40.611 143.234-132.661
-  92.309  41.560 129.654 -76.335
-  91.086  43.205 142.245-155.574
-  90.396  38.842 138.475-148.606
-  91.800  47.969 128.219 -85.351
-  87.966  66.581 138.650 -82.452
-  89.570  44.896 145.579-113.985
-  91.288  51.750 139.201-139.177
-  93.978-178.806 146.008 -38.428
-  93.175  69.995 100.975-114.615
-  94.576  41.389 143.495-134.506
-  93.687  52.455 146.767 -37.735
-  91.961  50.314 112.573 -82.342
-  92.600  42.308 132.330 -92.876
-  93.523  33.979 130.912 -88.437
-  93.428  61.399 140.985-104.614
-  91.400  53.649 137.033-158.920
-  92.086  45.527 111.236 -82.909
-  93.984 103.663   0.000   0.000
- 121.284 170.100 156.704-177.239
- 114.616-101.694 139.853 -85.774
-  92.877  45.554 137.201-105.528
-  89.198  47.947 115.277 -75.914
-  90.555  49.577 143.630 -44.079
-  93.341  53.981 137.514 -96.864
-  93.486 100.770 109.374 -83.511
- 116.833-126.650 152.165 -20.079
-  92.815  70.424 100.029-114.500
-  91.804  41.172 116.076 -76.235
-  92.935  49.016 136.809 -83.889
-  91.513  38.181 115.899 -76.136
-  92.446  38.518 129.364 -76.179
-  89.691  45.454 142.234-131.632
-  90.706  39.978 140.962 -97.406
-  92.040  38.900 145.499 -41.073
-  92.380  37.564 129.346 -76.140
-  93.017  42.168 130.687 -83.975
-  92.789  35.711 129.452 -76.257
-  93.455  38.904 138.042 -73.715
-  93.531  37.074 137.262 -90.382
-  92.487  46.810 145.939 -39.931
-  91.447  41.644 142.578-132.535
-  92.457  63.869 143.025-124.170
-  93.021   0.000 129.408 -76.266
- #  29 total E   -2.41217E+02 rmsd from N    0.000 %NC  0.00    1
-  93.620  82.340 137.786 -99.832
-  93.542  47.668 140.853-105.704
-  92.678  37.913 143.611-134.256
-  92.585  38.806 129.738 -76.583
-  92.917  40.873 134.482 -28.407
-  93.560  34.007 139.792-148.721
-  93.809  41.384 130.326 -86.592
-  93.569  34.094 139.072 -84.446
-  93.608  46.360 146.705 -39.361
-  93.626  94.203 138.286-144.948
- 106.209-160.185 151.607 -29.434
-  93.274  54.728 100.699-112.593
-  94.236  33.832 143.415-134.122
-  93.771  93.185 147.607 -36.839
-  92.200  55.448 144.820-142.565
-  92.330  36.556 132.677 -90.923
-  92.852  78.809 130.689 -80.113
-  93.374  75.196 135.042 -99.799
-  92.840  88.565 140.225-131.800
- 110.962 -54.495 149.517-146.646
-  94.920  73.716   0.000   0.000
-  95.339  33.540 106.432 -82.599
-  92.364  47.245 142.356 -87.718
-  93.228  34.498 136.281-104.515
-  91.882  46.188 116.472 -76.229
-  91.062  42.012 149.020-118.531
-  93.065  42.102 142.622-108.678
-  91.054  52.436 142.404-123.615
-  93.669  57.901 143.296-125.156
- 120.419 160.736 122.261-129.932
-  91.705  48.710 116.102 -76.215
-  93.245  41.442 137.335-102.543
-  90.528  43.926 116.383 -75.469
-  92.301  38.815 129.277 -76.130
-  90.273  39.286 142.385-132.277
-  91.689  41.699 144.870 -40.793
-  91.559  39.411 145.058 -42.106
-  92.098  37.876 129.313 -76.132
-  92.450  42.480 129.847 -87.875
-  92.460  38.261 129.274 -76.213
-  92.898  38.666 137.633 -73.586
-  93.059  39.790 137.320 -90.671
-  91.983  45.970 144.914 -41.248
-  91.591  42.283 142.475-133.515
-  92.441  63.293 143.013-124.155
-  93.022   0.000 129.413 -76.268
- #  30 total E   -2.18279E+02 rmsd from N    0.000 %NC  0.00    1
-  93.619  74.996 138.147-101.986
-  93.604  49.355 139.443-102.664
-  92.826  38.024 143.662-134.133
-  92.480  40.961 129.485 -76.238
-  92.091  42.783 140.111-146.770
-  92.134  35.154 138.634-149.980
-  92.221  44.078 130.005 -85.398
-  89.389  43.701 139.764 -86.432
-  90.230  45.532 147.580-114.507
-  93.143  49.497 140.745 -21.290
-  92.927  40.124 148.943-119.328
-  93.310  38.556 100.831-111.382
-  94.479  39.037 110.887 -83.585
-  93.387  40.467 145.570 -39.660
-  91.478  41.851 142.209-132.632
-  92.794  46.436 132.831 -97.072
-  92.964  37.621 131.472 -86.497
-  93.018  45.599 137.795-100.001
-  93.118  41.388 138.705-112.820
- 122.038-153.654 112.572 -83.395
- 116.035-135.891   0.000   0.000
- 128.794-165.138 158.276 170.676
- 117.945 -15.466 166.195-123.981
-  93.526 -45.068 137.345-105.816
-  92.878 -35.363 116.342 -76.051
-  92.522 -51.047 146.608-110.246
-  94.390 -48.043 139.593-107.048
-  94.516  85.971 109.927 -83.419
- 118.109-155.322 112.143 -82.280
- 121.200 127.456 121.537-128.782
-  95.264  27.760 116.600 -76.571
-  93.501  48.128 138.310 -95.795
-  91.747  38.598 116.023 -76.435
-  92.576  39.726 129.371 -76.207
-  90.544  39.099 142.485-131.977
-  90.457  45.958 147.130-116.179
-  90.211  40.628 146.638-115.306
-  92.197  36.536 129.363 -76.136
-  92.835  39.183 130.646 -86.457
-  92.356  40.693 129.281 -76.215
-  92.599  38.445 137.525 -82.947
-  92.521  42.220 136.863 -90.583
-  91.403  46.459 143.736 -42.490
-  91.485  41.894 142.296-133.803
-  92.436  65.782 143.036-124.155
-  93.019   0.000 129.400 -76.283
- #  31 total E   -2.42954E+02 rmsd from N    0.000 %NC  0.00    1
-  93.609  68.952 137.785-101.398
-  93.625  52.315 140.115-104.985
-  92.907  35.597 143.684-134.138
-  92.437  43.149 129.487 -76.215
-  92.285  38.358 138.924-143.232
-  92.447  39.321 141.887-158.686
-  92.672  35.659 130.430 -84.658
-  90.785  41.118 140.058 -85.297
-  92.724  37.149 142.651 -43.978
-  95.844  52.447 138.032-147.654
-  92.286  32.512 149.129-118.524
- 119.833-106.322 120.374-127.542
-  90.721 -51.173 143.120-133.045
- 107.092-107.090 152.406 -27.855
- 106.312-132.684 148.079-147.145
-  94.410  39.644 134.363 -90.943
-  93.519  48.564 133.649 -87.525
-  93.286  98.841 139.654-113.157
-  92.849  51.252 133.735 -55.450
-  92.346  41.457 143.637-134.541
-  93.647  42.865   0.000   0.000
-  93.723  42.253 138.316-122.400
-  93.654  35.222 138.710 -91.048
-  93.615  39.350 136.398-105.137
-  93.340  39.246 115.394 -76.347
-  92.894  75.940 152.011-137.247
-  93.097  61.100 140.599-104.275
-  92.309  -6.849 142.934-124.641
- 124.376 148.655 152.682 -18.138
- 120.793 148.507 120.862-127.738
-  94.766  39.071 116.484 -76.565
-  93.663  43.673 135.187 -97.364
-  93.004  92.608 115.691 -75.712
-  92.757  44.740 129.406 -76.215
-  93.782  30.599 143.786-134.948
-  93.223  45.952 147.680 -37.015
-  91.630  40.759 145.194 -41.481
-  92.163  36.395 129.309 -76.146
-  91.957  42.483 129.267 -87.959
-  92.021  48.684 129.270 -76.279
-  92.383  36.425 135.987 -73.419
-  92.945  39.934 137.380 -89.894
-  92.580  44.864 144.973 -40.966
-  92.302  40.883 143.005-132.119
-  92.731  63.054 143.139-126.180
-  93.021   0.000 129.412 -76.267
- #  32 total E   -2.31893E+02 rmsd from N    0.000 %NC  0.00    1
-  93.639  79.057 138.218-101.817
-  93.603  48.391 139.259-102.477
-  92.820  38.463 143.659-134.131
-  92.480  40.483 129.483 -76.239
-  92.213  43.321 141.116-150.994
-  91.825  34.287 139.020-148.892
-  92.764  39.963 129.627 -87.426
-  89.522  41.270 139.015 -87.874
-  89.890  47.919 143.731 -44.101
-  89.569  57.205 136.562-139.367
-  92.302  67.522 146.125 -38.562
- 113.762 -10.890 123.780-135.648
-  91.822 107.514 144.051-131.658
-  94.058 -93.415 145.383 -40.964
-  92.467  84.367 143.264-133.935
-  93.982  95.440 131.999 -99.049
-  96.228 135.387 133.192 -88.524
-  94.460 -95.395 137.661-103.605
-  93.335  74.499 138.030 -88.543
-  94.494  48.154 144.358-136.207
-  94.515  36.423   0.000   0.000
-  93.483  46.723 139.213-123.886
-  92.424  37.835 139.004 -91.065
-  92.850  39.913 136.073-104.448
-  92.527  42.158 115.345 -76.263
-  92.387  40.051 149.467-118.378
-  94.016  43.580 139.540-105.042
-  94.368  29.622 143.981-126.409
- 123.528-169.147 152.969 -17.769
-  92.801  66.922  99.843-114.475
-  90.655  52.944 115.945 -76.048
-  92.335  77.641 135.870 -91.946
-  91.154  41.816 115.592 -76.317
-  92.495  38.951 129.371 -76.163
-  92.251  38.103 143.985-136.366
-  91.246  43.761 150.974-114.727
-  91.944  34.264 144.901 -41.775
-  92.674  36.214 129.374 -76.166
-  92.739  43.485 130.226 -85.957
-  92.346  39.302 129.293 -76.269
-  92.850  34.881 137.926 -77.239
-  93.100  40.633 137.155 -91.437
-  91.765  44.734 143.768 -43.363
-  91.815  42.691 142.190-135.283
-  92.351  63.069 142.969-124.073
-  93.022   0.000 129.410 -76.266
- #  33 total E   -2.36191E+02 rmsd from N    0.000 %NC  0.00    0
-  93.611  82.295 137.516 -98.691
-  93.833  48.211 139.021-103.557
-  93.995  36.091 144.020-134.878
-  92.604  41.195 129.565 -76.263
-  92.447  44.057 143.292-157.466
-  91.866  34.161 139.729-150.738
-  92.636  39.497 129.238 -87.090
-  89.054  45.876 136.534 -85.531
-  90.494  57.191 142.841 -45.727
-  89.483 107.665 135.848-140.818
- 102.936-138.931 150.861 -33.715
-  93.500  50.130 100.725-112.169
-  91.431  59.712 112.242 -83.037
-  91.936  89.032 144.666 -39.159
-  92.130  41.742 142.244-136.408
-  93.019  45.182 133.287 -90.776
-  93.266  98.041 131.926 -95.863
-  93.430  82.980 134.300-102.712
-  92.457  48.168 140.131-112.638
- 104.238-119.321 147.407-141.721
- 122.974-136.341   0.000   0.000
- 126.096  68.038 159.024 168.291
-  92.732  40.884 140.918 -88.058
-  93.513  35.893 136.500-106.264
-  92.018  46.202 115.909 -76.174
-  92.163  47.725 145.662 -39.654
-  93.154  51.339 139.924-104.056
-  91.973  52.977 142.791-124.178
- 117.490-163.785 152.101 -19.442
-  93.242  65.603  99.916-114.376
-  91.990  42.274 116.147 -76.245
-  92.756  55.534 137.181 -91.416
-  93.454  35.040 116.040 -76.222
-  93.668  34.821 129.460 -76.225
-  98.227  26.574 145.075-137.779
-  94.452  44.441 147.772 -36.159
-  91.159  38.219 144.609 -42.451
-  91.725  38.532 129.289 -76.129
-  92.235  43.788 129.294 -81.509
-  92.552  38.359 129.304 -76.093
-  93.272  34.966 137.897 -79.287
-  93.565  39.828 137.087 -92.299
-  92.559  43.214 144.782 -42.065
-  92.074  42.960 143.255-136.454
-  92.371  62.143 142.990-124.010
-  93.015   0.000 129.416 -76.270
- #  34 total E   -2.35951E+02 rmsd from N    0.000 %NC  0.00    1
-  93.765  99.637 139.564-107.129
-  93.417  50.027 139.232-101.249
-  91.823  40.224 143.335-133.377
-  92.269  41.265 129.616 -76.353
-  91.722  44.840 143.926-154.879
-  91.520  34.181 138.598-149.370
-  92.024  47.384 129.155 -88.008
-  87.679  66.762 139.337 -87.279
-  88.285  54.165 146.392-115.062
-  86.107  54.460 138.262-141.317
-  92.132 156.935 143.038 -42.604
- 117.058  54.370 122.723-132.331
-  92.189  39.009 143.205-133.723
-  93.830  42.932 146.236 -39.114
-  93.445  44.833 111.253 -81.949
-  92.817  42.628 132.085 -95.404
-  93.226  37.703 130.902 -88.465
-  94.026 123.744 139.699 -98.717
-  91.457  54.620 146.254 134.679
-  90.186  42.053 142.977-133.089
-  92.586  44.268   0.000   0.000
-  91.986  44.868 139.950-126.477
-  89.994  39.893 139.156 -92.309
-  92.105  45.185 135.684-103.123
-  89.840  47.015 115.657 -75.873
-  91.476  38.444 149.757-110.303
-  94.173  39.061 139.242-108.513
-  95.471  10.924 144.519-127.382
- 124.332 -98.849 153.409 -18.836
- 121.079 -68.653 121.221-128.247
-  91.910  80.358 116.656 -76.229
-  92.587  50.713 136.738-100.983
-  88.897  49.226 115.260 -75.690
-  92.097  44.300 129.098 -75.993
-  87.470  41.157 141.484-132.660
-  89.603  48.473 147.701-116.637
-  91.259  36.870 142.667 -44.344
-  92.644  36.233 129.490 -76.249
-  93.232  45.197 131.526 -85.586
-  92.638  37.388 129.288 -76.220
-  92.661  41.213 141.144 -83.608
-  92.436  41.180 133.356 -69.631
-  90.966  47.881 146.404-115.172
-  91.485  41.605 142.131-133.123
-  92.515  65.773 143.178-124.158
-  93.021   0.000 129.406 -76.261
- #  35 total E   -2.34530E+02 rmsd from N    0.000 %NC  0.00    1
-  93.603  81.506 137.475 -98.695
-  93.917  49.426 138.669-103.767
-  94.222  35.815 144.083-134.969
-  92.621  42.293 129.589 -76.248
-  92.592  46.294 143.228-153.254
-  92.457  32.363 140.119-151.729
-  93.055  46.210 130.733 -82.961
-  90.654  81.445 140.403 -86.790
-  90.832  67.781 148.206-111.810
-  89.151  96.816 138.246-139.255
-  93.201-145.341 146.102-108.408
-  92.311  57.977 100.443-112.140
-  91.692  76.776 110.411 -82.869
-  92.606  83.221 144.531 -39.297
-  91.720  39.565 142.518-135.575
-  93.022  50.352 133.469 -90.396
-  93.188  69.982 133.065 -93.020
-  92.717  81.879 135.643 -92.203
-  92.037  50.085 139.369-114.341
- 100.851-121.107 146.466-136.885
-  94.738 154.879   0.000   0.000
- 124.994 163.403 156.517 177.330
-  92.874  57.017 142.198 -88.612
-  93.227  33.377 136.797-105.185
-  91.597  48.706 116.165 -75.896
-  91.077  37.222 146.635-122.378
-  92.949  46.312 142.246-108.318
-  90.369  48.204 142.068-122.937
-  91.357  38.226 142.223-122.048
- 117.638 142.429 121.243-130.247
-  95.880  33.542 116.770 -76.630
-  94.353  39.587 137.864-103.815
-  95.874  31.768 116.404 -76.719
-  93.176  41.744 129.549 -76.314
-  92.065  36.838 142.807-133.294
-  92.169  41.064 145.769 -39.551
-  91.917  38.699 145.119 -40.813
-  92.185  38.375 129.373 -76.193
-  92.513  42.441 129.931 -87.809
-  92.579  37.240 129.295 -76.224
-  92.996  39.106 138.507 -76.257
-  93.072  39.346 137.133 -90.047
-  92.014  46.247 144.942 -41.197
-  91.601  42.010 142.445-133.504
-  92.468  63.403 143.045-124.231
-  93.020   0.000 129.413 -76.268
- #  36 total E   -2.33140E+02 rmsd from N    0.000 %NC  0.00    1
-  93.568  67.954 136.910 -98.061
-  93.830  49.503 138.858-103.175
-  93.657  37.179 143.927-134.627
-  92.503  42.065 129.440 -76.295
-  90.877  44.825 136.265-145.964
-  88.780  48.940 138.463-149.265
-  91.809  37.587 131.033 -90.686
-  88.552  51.008 142.793 -80.272
-  90.845  29.514 145.931-113.276
-  94.515  47.914 140.262-143.375
-  93.729 117.143 145.044 -41.610
-  93.968  88.279 100.002-111.841
- 122.985-111.127 113.637 -84.227
- 106.755  47.963 151.054 -29.363
-  92.539  38.943 143.506-134.700
-  93.065  55.943 137.169 -88.156
-  93.227  34.146 132.513 -88.130
-  93.360  49.224 138.574-108.218
-  94.134  55.136 139.095-110.523
- 115.669 -92.410 152.704 -21.416
-  95.545  97.130   0.000   0.000
- 119.732  29.810 160.143 171.657
-  93.251  37.801 138.787 -88.605
-  94.038  35.001 136.892-106.219
-  93.784  41.796 115.663 -76.015
-  92.895  40.446 146.922 -39.063
-  93.391  55.614 139.886 -96.485
-  92.133  52.877 142.870-124.304
- 116.576-162.447 152.056 -19.271
-  93.005  61.218  99.888-114.485
-  91.925  40.932 116.139 -76.255
-  92.829  46.283 135.153 -86.027
-  93.787  36.675 116.092 -76.378
-  93.865  30.600 129.473 -76.256
-  98.812  28.960 145.216-138.223
-  94.607  37.982 146.558 -39.767
-  92.445  40.386 145.399 -40.982
-  91.671  37.947 129.272 -76.126
-  91.343  45.717 129.427 -85.271
-  92.379  38.577 129.061 -76.055
-  93.152  36.476 137.947 -80.466
-  93.591  38.347 137.054 -92.180
-  92.612  44.885 145.150 -40.998
-  91.882  42.034 142.549-135.110
-  92.452  62.701 143.023-124.223
-  93.021   0.000 129.412 -76.266
- #  37 total E   -2.39684E+02 rmsd from N    0.000 %NC  0.00    1
-  93.635  79.689 138.177-101.587
-  93.586  49.361 139.448-102.495
-  92.932  37.555 143.698-134.206
-  92.483  41.171 129.479 -76.215
-  92.335  42.048 141.152-152.327
-  90.991  37.057 138.743-149.095
-  92.004  42.586 129.196 -87.413
-  89.115  42.468 138.914 -86.799
-  89.751  47.018 145.942-111.469
-  89.651  48.541 136.555-143.129
-  92.265 146.302 144.917 -39.721
-  92.651  82.646 100.935-116.651
-  91.360  52.641 142.545-133.282
-  92.780 140.813 145.814 -40.063
-  96.146  75.551 145.223-135.780
-  94.395  26.561 133.265 -91.596
-  93.920  55.278 135.755 -87.897
-  93.457 105.731 136.011-107.029
-  93.118  59.432 135.724 -66.843
-  92.973  38.519 143.895-135.478
-  93.234  44.017   0.000   0.000
-  91.684  50.876 137.498-128.574
-  89.109  41.195 138.346 -92.249
-  92.048  41.038 133.112 -92.375
-  91.708  44.172 115.069 -75.469
-  92.248  37.658 149.508-122.447
-  94.426  36.950 139.415-109.114
-  95.418  34.769 144.491-127.505
- 107.829-172.227 150.719-137.894
- 120.315  -1.110 121.325-129.006
-  93.895  58.865 116.506 -76.404
-  93.585  34.161 137.390-103.331
-  90.789  46.447 116.125 -76.457
-  91.651  48.713 129.280 -76.176
-  87.396  48.222 141.436-130.428
-  90.793  41.563 145.060 -39.100
-  91.113  41.036 146.296 -38.605
-  91.780  37.827 129.276 -76.093
-  91.624  43.841 129.370 -88.025
-  91.820  42.839 129.275 -76.196
-  92.383  38.460 137.611 -75.714
-  92.600  39.760 137.335 -90.239
-  91.706  48.608 144.778 -41.450
-  91.041  41.544 141.915-128.923
-  92.539  64.411 143.067-124.508
-  93.023   0.000 129.415 -76.269
- #  38 total E   -2.43849E+02 rmsd from N    0.000 %NC  0.00    1
-  93.957 132.595 139.656-104.180
-  93.143  52.791 138.219-101.825
-  91.591  44.297 143.258-133.291
-  92.542  37.971 129.412 -76.178
-  93.020  40.009 141.961-152.702
-  91.921  37.626 140.810-164.109
-  91.393  40.745 129.022 -86.840
-  87.867  42.845 135.422 -86.426
-  90.488  46.538 140.974 -47.310
-  92.527  38.799 137.426-141.637
-  93.080 130.976 146.296 -38.485
-  93.588  72.619  99.717-111.738
-  93.477  29.164 143.338-134.587
-  93.537  56.165 145.793 -39.052
-  93.877 109.188 143.042-128.946
-  94.567  37.452 133.387 -96.100
-  94.389  36.130 133.880 -87.909
-  93.708  73.713 137.885-106.973
-  93.306  58.652 135.925 -68.189
-  94.663  32.458 144.044-135.371
-  97.453  38.570   0.000   0.000
-  98.298  32.056 106.456 -82.140
-  92.687  46.905 145.217 -91.012
-  92.997  35.142 137.436-101.773
-  90.696  45.066 116.452 -76.172
-  89.747  51.038 147.001-112.356
-  92.703  47.839 140.640 -97.425
-  90.360  49.163 142.048-123.111
-  93.260  47.772 143.146-123.447
- 120.502 178.562 121.651-129.269
-  93.140  52.193 116.345 -76.342
-  93.493  41.019 137.386-103.053
-  90.554  44.956 116.355 -75.990
-  91.923  43.208 129.349 -76.209
-  88.152  42.746 141.685-130.757
-  90.853  44.096 145.108 -40.530
-  90.746  39.834 144.195 -41.666
-  91.883  38.550 129.294 -76.103
-  92.084  43.867 129.796 -87.874
-  92.333  37.943 129.253 -76.188
-  92.874  39.020 138.075 -73.587
-  93.026  39.313 137.323 -90.670
-  91.987  46.245 144.894 -41.271
-  91.545  42.087 142.356-133.083
-  92.452  63.347 143.012-124.242
-  93.019   0.000 129.418 -76.271
- #  39 total E   -2.40519E+02 rmsd from N    0.000 %NC  0.00    1
-  93.613  77.496 137.783-100.217
-  93.690  48.763 139.522-103.914
-  93.178  37.448 143.769-134.348
-  92.526  40.606 129.457 -76.194
-  93.044  43.121 142.849-146.878
-  92.924  34.439 139.254-150.382
-  93.114  40.497 129.828 -87.399
-  91.511  38.013 138.574 -86.501
-  91.344  47.590 149.299-122.085
-  92.688  53.521 138.311-142.079
-  93.884  67.478 146.359 -38.596
- 121.573-138.728 121.679-128.520
-  92.742  73.529 143.299-134.588
-  91.874 130.594 145.096 -41.446
-  95.645  65.084 142.163-138.740
-  93.981  31.842 133.334 -91.556
-  93.445  49.887 136.916 -90.708
-  92.729  55.535 135.700 -91.494
-  92.584  58.204 141.477-131.978
-  91.974  16.642 143.440-133.191
- 109.743-117.401   0.000   0.000
- 125.353-121.950 156.856 174.068
-  96.330  35.525 143.521 -89.979
-  93.046  51.434 143.065-122.088
-  90.309  58.440 115.679 -76.107
-  91.519 122.401 148.070-114.954
-  93.933  75.656 141.576-121.156
-  93.584 -10.595 109.523 -83.539
- 120.227 141.687 152.252 -18.933
- 122.507 170.317 120.476-126.221
-  95.320  34.640 116.663 -76.592
-  94.093  40.934 137.982-104.258
-  90.929  49.706 117.117 -76.237
-  91.833  42.519 129.311 -76.168
-  87.942  41.133 141.726-130.483
-  89.966  47.887 148.442-116.367
-  91.195  36.791 143.380 -44.175
-  92.680  36.063 129.388 -76.159
-  93.351  41.595 130.397 -86.705
-  92.663  37.356 129.565 -76.550
-  92.557  41.110 139.465 -76.338
-  92.232  40.916 137.306 -89.950
-  90.891  51.888 144.532 -42.157
-  90.401  41.529 141.330-125.135
-  92.540  66.164 143.058-124.315
-  93.024   0.000 129.415 -76.270
- #  40 total E   -2.43550E+02 rmsd from N    0.000 %NC  0.00    1
-  93.904 129.175 139.241-102.907
-  93.217  45.361 138.088 -98.797
-  91.909  46.639 143.331-133.559
-  92.817  34.581 129.415 -76.217
-  94.302  42.083 146.947-169.859
-  91.639  34.855 141.771-156.176
-  92.460  44.233 129.573 -87.184
-  89.312  41.405 138.349 -86.440
-  89.341  54.334 146.189-109.351
-  87.564  52.041 135.178-141.603
-  92.340 131.949 144.944 -40.388
-  92.552  76.960 100.977-114.781
-  92.407  46.511 142.982-133.774
-  94.028 175.895 146.620 -37.299
-  94.066  79.351 144.137-139.129
-  93.551  41.557 131.437 -91.333
-  92.929  49.350 134.870 -82.205
-  93.005  53.074 140.541-108.183
-  91.426  41.129 133.111 -44.409
-  91.813  43.965 143.566-134.902
-  92.183  43.016   0.000   0.000
-  90.919  47.791 136.848-125.768
-  90.402  37.516 138.483 -92.513
-  92.567  42.427 135.882-103.530
-  90.531  45.170 115.745 -76.186
-  91.233  45.669 150.794-121.903
-  93.795  47.856 139.587-109.007
-  94.238  -5.594 143.878-126.209
- 116.659 169.962 151.886 -19.593
-  94.124  66.873  99.774-114.398
-  97.606  19.226 117.043 -76.820
-  94.683  48.235 138.507-105.108
-  92.267  41.587 115.789 -77.155
-  91.843  45.686 129.344 -76.239
-  86.867  45.642 141.385-129.925
-  90.804  46.796 144.777 -39.436
-  90.440  40.975 145.538 -39.759
-  91.599  37.530 129.273 -76.083
-  91.770  44.409 129.460 -87.493
-  91.934  42.434 129.299 -76.211
-  91.970  38.045 138.285 -78.326
-  91.960  44.289 137.256 -90.241
-  90.717  50.844 143.671 -43.495
-  90.487  41.948 141.732-125.099
-  92.529  65.804 143.063-124.340
-  93.024   0.000 129.418 -76.272
- #  41 total E   -2.32956E+02 rmsd from N    0.000 %NC  0.00    0
-  93.986 137.965 139.317-102.345
-  93.131  56.801 138.836-100.131
-  92.208  41.537 143.438-133.680
-  92.690  36.629 129.424 -76.131
-  93.645  40.379 141.078-147.374
-  91.881  36.591 137.478-160.719
-  91.278  41.733 129.007 -86.583
-  86.689  51.523 139.463 -86.944
-  88.843  42.178 141.157 -46.985
-  90.354  52.586 138.931-140.131
-  93.645  38.629 145.456 -39.311
-  93.304  43.376 101.264-111.649
-  91.284  57.987 141.062-130.419
-  92.055-119.513 145.373-115.480
-  92.844 109.406 143.454-134.958
-  96.773 173.804 132.705 -95.364
- 118.700 110.143 156.270-124.100
-  94.882-173.875 137.091-103.190
- 117.811-137.660 143.987-110.134
-  94.814  24.158 144.231-135.375
- 124.372-109.261   0.000   0.000
- 125.875-146.704 157.839 174.766
-  92.187  47.310 141.498 -90.127
-  93.076  38.322 136.797-105.147
-  91.038  42.890 115.496 -76.082
-  90.760  50.180 147.691-116.415
-  93.068  50.076 140.977 -99.389
-  91.080  45.944 142.388-123.755
-  93.905  46.185 143.535-124.153
- 121.675 176.580 121.445-128.348
-  93.009  53.489 116.333 -76.349
-  93.451  42.457 137.358-103.085
-  90.083  45.595 116.202 -76.040
-  91.773  45.529 129.339 -76.202
-  87.821  44.045 141.595-130.587
-  90.735  44.483 145.143 -39.697
-  90.614  40.747 144.391 -40.849
-  91.813  38.042 129.286 -76.097
-  92.021  43.062 129.670 -88.001
-  92.242  39.174 129.237 -76.177
-  92.768  38.583 137.291 -71.802
-  93.004  39.783 137.367 -90.443
-  91.969  45.975 144.892 -41.281
-  91.584  42.241 142.413-133.177
-  92.451  63.279 143.002-124.233
-  93.022   0.000 129.414 -76.268
- #  42 total E   -2.35761E+02 rmsd from N    0.000 %NC  0.00    1
-  93.618  75.378 137.922-101.055
-  93.658  52.573 141.243-106.538
-  92.615  35.507 143.604-134.006
-  92.270  43.440 129.472 -76.207
-  91.544  43.816 140.029-150.066
-  91.090  36.339 140.750-149.868
-  92.178  41.060 129.247 -87.773
-  90.241  39.312 138.563 -86.701
-  90.091  49.006 147.994-111.016
-  90.838  46.224 137.080-139.827
-  93.830  35.578 146.707 -38.903
-  93.254  41.203 101.037-110.035
-  93.679  40.344 110.711 -82.456
-  94.092  36.884 146.146 -39.216
-  94.132  34.831 143.543-134.932
-  92.936  47.757 131.395 -91.050
-  92.934  69.827 132.225 -91.278
-  92.385  51.842 138.022 -99.884
-  91.369  28.717 139.795-110.393
-  99.925 -86.037 145.903-136.695
- 126.928 -72.714   0.000   0.000
- 130.852 -79.866 160.219 162.914
-  92.881  44.648 141.973 -92.013
-  92.986  41.618 136.830-104.984
-  91.782  53.871 115.544 -76.532
-  90.866  84.726 149.404-121.213
-  93.753  66.731 139.096-113.496
-  93.468  -7.154 143.496-125.665
- 123.160 143.852 152.631 -18.369
- 120.916 156.181 121.315-128.498
-  94.656  38.645 116.542 -76.538
-  93.623  42.815 137.347-103.403
-  91.548  84.458 116.406 -75.818
-  92.762  47.733 129.403 -76.225
-  92.901  28.803 143.518-134.342
-  92.017  50.982 146.822 -38.701
-  90.406  42.256 143.706 -45.005
-  91.779  37.937 129.297 -76.121
-  91.780  42.241 129.375 -81.746
-  92.198  42.628 129.111 -76.077
-  93.113  36.788 135.360 -72.058
-  93.415  38.541 137.369 -90.604
-  92.489  48.634 145.903 -40.266
-  91.033  46.227 142.577-135.054
-  91.606  71.376 142.602-123.603
-  93.019   0.000 129.362 -76.240
- #  43 total E   -2.43718E+02 rmsd from N    0.000 %NC  0.00    1
-  93.648  76.374 138.508-103.338
-  93.542  51.212 139.746-102.292
-  92.078  38.932 143.420-133.576
-  92.357  41.850 129.384 -76.156
-  92.431  41.966 138.044-142.524
-  92.836  35.217 139.002-151.533
-  92.749  40.525 129.647 -87.319
-  91.225  36.929 136.333 -84.481
-  92.233  46.190 148.980-122.028
-  94.200  54.364 138.142-143.764
-  94.229  71.852 146.900 -38.842
- 121.471-142.919 121.579-128.500
-  94.153  44.434 143.773-135.461
-  92.232  45.704 144.583 -39.036
-  90.468  47.937 142.370-139.754
-  92.688  45.499 132.894-103.592
-  92.995  32.542 130.923 -89.506
-  93.797 129.790 138.463-110.081
-  93.946  63.637 139.446-100.878
-  93.374  35.134 143.928-134.728
-  95.581  40.396   0.000   0.000
-  94.897  37.687 137.533-125.457
-  92.525  39.844 140.703 -93.466
-  92.648  37.917 136.042-104.101
-  92.175  39.371 115.150 -76.349
-  91.213  46.441 148.672-120.564
-  92.880  43.446 137.313 -80.953
-  91.547  45.802 142.628-124.389
-  93.255 129.910 143.315-126.798
-  93.366  86.421  99.584-113.126
-  92.549  52.244 116.207 -76.326
-  93.903 161.420 137.576-101.590
-  92.571  50.081 116.455 -76.060
-  92.485  38.642 129.391 -76.152
-  89.121  44.608 142.245-131.085
-  89.958  43.209 144.434-115.761
-  88.825  46.850 149.460-127.525
-  90.975  41.305 129.265 -76.057
-  90.906  42.032 129.516 -86.397
-  91.623  41.338 129.159 -76.006
-  92.434  40.999 137.881 -86.137
-  92.509  39.211 137.003 -92.420
-  90.860  50.147 143.595 -41.454
-  91.401  40.901 139.721-134.179
-  92.482  65.801 143.031-124.492
-  93.023   0.000 129.410 -76.267
- #  44 total E   -2.31403E+02 rmsd from N    0.000 %NC  0.00    1
-  93.607  61.556 137.716-102.502
-  93.554  50.063 138.834 -96.849
-  93.768  39.625 144.093-135.629
-  92.891  35.445 129.813 -76.651
-  93.399  41.848 133.697 -27.807
-  94.984  32.167 137.413-151.597
-  94.087  40.965 131.636 -84.882
-  93.911  31.650 140.316 -85.531
-  93.643  49.204 148.233 -36.291
-  92.714  47.682 143.062-136.555
-  93.932  37.985 148.378-115.691
-  95.543  32.653 100.426-110.973
-  96.536  45.811 144.231-134.495
-  94.233 169.742 152.182-129.520
- 108.361-101.398 149.044-148.247
-  94.669  29.708 134.314 -91.262
-  94.832  55.570 134.268 -87.345
-  94.452 -31.529 138.691-102.914
- 119.345 -98.333 142.055-105.065
- 119.074 -55.758 112.671 -83.802
- 141.817 -75.743   0.000   0.000
- 142.555 -70.091 110.128 -89.205
-  92.384  46.525 138.882 -88.451
-  94.074  32.514 134.537-101.360
-  94.528  43.691 115.923 -76.333
-  93.372 108.033 149.779-127.555
-  93.589  60.206 140.837-111.110
-  92.673  -9.507 109.367 -83.528
- 116.212-174.012 151.773 -19.769
- 120.547 141.160 121.621-129.197
-  92.325  45.489 116.139 -76.266
-  93.321  39.233 135.804-104.330
-  90.506  45.583 116.537 -75.751
-  92.217  39.999 129.310 -76.174
-  90.164  37.230 142.332-132.028
-  90.871  47.213 145.946 -40.494
-  90.345  40.390 142.607 -44.785
-  91.762  38.209 129.292 -76.104
-  91.968  44.597 129.374 -86.621
-  92.598  37.643 128.956 -76.002
-  93.336  36.613 137.721 -79.560
-  93.674  38.575 137.104 -92.422
-  92.861  42.701 145.011 -40.957
-  92.407  42.737 142.798-137.817
-  92.424  61.549 142.956-124.341
-  93.020   0.000 129.413 -76.265
- #  45 total E   -2.31681E+02 rmsd from N    0.000 %NC  0.00    0
-  93.770 107.621 139.006-104.310
-  93.310  52.209 139.451-101.710
-  91.904  41.071 143.360-133.445
-  92.478  38.819 129.454 -76.205
-  92.814  42.293 143.715-150.614
-  92.345  35.003 138.523-151.158
-  92.185  43.163 129.415 -86.691
-  88.104  53.472 140.210 -87.190
-  89.585  36.580 142.757 -99.876
-  92.969  58.576 140.419-141.908
-  94.149  69.679 146.409 -39.547
- 122.219-145.127 121.247-126.976
-  91.070  71.965 142.292-132.358
-  91.972 122.478 145.226 -41.823
-  94.028  64.643 143.028-135.130
-  93.540  33.825 133.124 -91.450
-  93.026  48.866 135.309 -89.317
-  92.677  48.758 132.697 -91.438
-  92.522  59.290 139.484-135.564
-  92.443  42.966 143.573-133.482
-  94.143 107.351   0.000   0.000
- 124.876 161.695 156.363 176.593
- 114.592 -99.840 139.838 -86.007
-  92.774  47.989 137.487-106.349
-  89.116  48.199 115.261 -75.934
-  90.625  48.869 143.809 -43.516
-  93.209  53.645 138.198 -97.958
-  93.136  92.505 109.313 -83.549
- 116.412-117.032 152.151 -20.488
-  92.792  79.437 100.067-114.267
-  91.154  42.191 115.865 -76.129
-  92.968  47.814 138.626-104.081
-  90.622  37.919 115.608 -75.957
-  92.375  39.817 129.341 -76.167
-  89.683  42.420 142.177-131.333
-  90.182  42.858 146.260-114.108
-  90.869  39.323 144.524 -41.689
-  91.864  38.367 129.319 -76.116
-  92.040  44.463 131.426 -84.651
-  92.335  37.214 129.291 -76.199
-  92.984  37.185 137.766 -79.200
-  93.225  43.110 137.176 -91.964
-  92.115  39.660 143.534 -42.562
-  93.229  44.684 142.524-144.110
-  92.308  60.678 142.928-124.044
-  93.018   0.000 129.411 -76.262
- #  46 total E   -2.35753E+02 rmsd from N    0.000 %NC  0.00    0
-  93.620  76.967 137.964-101.039
-  93.655  50.698 140.839-105.981
-  92.577  37.323 143.587-134.080
-  92.366  41.577 129.455 -76.243
-  92.108  44.318 141.111-147.312
-  95.493  28.779 142.666-142.137
-  96.424  33.532 132.667 -89.359
-  99.227  26.422 140.210 -85.011
-  95.403  40.750 146.581 -38.427
-  94.309  54.606 137.139-152.880
-  92.869  40.633 145.581 -40.584
-  94.647  27.206  99.930-109.869
-  95.634  52.942 110.581 -82.477
-  92.854  46.320 145.587 -42.514
-  90.687  54.742 144.840-135.503
-  93.055  44.158 132.594 -92.625
-  96.053-121.629 133.193 -88.161
-  94.316 120.557 137.814-103.933
- 115.497 173.132 142.891-152.029
-  94.681  74.815 144.243-135.275
-  96.631  78.198   0.000   0.000
-  94.482  36.510 138.506-120.582
-  94.665  39.744 141.230 -91.377
-  93.583  31.927 136.346-105.483
-  93.219  44.915 115.308 -76.436
-  93.170  57.035 146.358 -39.746
-  92.797  55.503 140.397 -99.592
-  90.500  33.936 142.074-122.935
- 113.680-162.243 151.583 -20.431
-  93.380  90.754  99.852-114.231
-  91.270  43.749 116.039 -76.178
-  92.627  75.262 138.607-109.471
-  90.443  46.678 115.090 -75.848
-  92.479  42.276 129.387 -76.146
-  93.824  32.203 143.728-134.801
-  93.214  42.026 147.070 -37.025
-  91.127  39.116 148.568-121.959
-  92.319  38.166 129.354 -76.159
-  92.612  38.402 129.765 -88.132
-  92.245  41.891 129.411 -76.291
-  92.718  37.759 137.022 -80.311
-  92.814  40.421 137.191 -91.897
-  91.735  47.262 144.760 -41.447
-  91.264  42.046 142.220-131.036
-  92.471  63.934 143.030-124.265
-  93.018   0.000 129.410 -76.260
- #  47 total E   -2.40024E+02 rmsd from N    0.000 %NC  0.00    0
-  93.758  97.155 139.491-107.095
-  93.374  51.444 139.298-101.469
-  91.790  40.686 143.331-133.410
-  92.327  40.629 129.402 -76.133
-  92.697  43.351 141.227-148.784
-  92.479  34.234 138.271-148.307
-  92.574  44.267 129.722 -92.215
-  89.576  42.541 138.483 -87.244
-  89.972  62.104 147.308-117.385
-  90.988 101.231 136.274-141.559
- 100.645-135.424 148.848 -34.232
- 120.427  20.240 121.688-129.016
-  92.990  55.281 143.472-134.154
-  92.135  95.714 146.984 -39.332
-  92.574  55.098 143.771-136.766
-  92.103  34.553 132.773 -91.169
-  92.146  60.396 131.411 -87.853
-  92.863  47.827 129.684 -79.952
-  95.862  29.831 137.744 -99.395
-  98.878  32.512 145.681-138.680
-  98.393  33.689   0.000   0.000
-  95.833  41.786 140.047-130.309
-  94.842  31.930 138.896 -91.990
-  93.811  36.357 136.647-105.959
-  93.342  43.419 115.728 -76.697
-  92.084  45.043 144.960 -39.297
-  93.086  37.038 139.738-101.038
-  92.709  47.440 143.199-125.096
-  94.661 -98.817 143.620-123.767
- 119.863 -97.682 121.413-129.371
-  92.427  81.287 116.353 -76.280
-  92.948  67.115 136.616-102.392
-  90.952  99.966 115.435 -76.027
-  92.977  54.654 129.265 -75.987
-  95.057  24.900 144.192-136.200
-  93.525  45.532 146.476 -38.215
-  91.975  36.363 142.398 -45.958
-  92.831  40.583 129.077 -76.064
-  93.842  41.008 130.520 -88.457
-  93.869  29.639 129.428 -76.292
-  94.441  42.492 142.588 -90.897
-  93.314  37.103 135.522 -80.400
-  92.479  43.112 145.156 -40.788
-  93.084  35.813 142.709-134.007
-  93.804  42.809 143.477-124.806
-  93.045   0.000 129.532 -76.371
- #  48 total E   -2.27014E+02 rmsd from N    0.000 %NC  0.00    1
-  93.865 129.306 138.602-100.206
-  93.270  51.785 139.297-104.267
-  92.088  43.778 143.414-133.634
-  92.655  34.360 129.426 -76.200
-  93.509  46.134 146.867-156.226
-  93.814  29.115 140.867-150.236
-  94.386  38.705 131.796 -85.071
-  94.388  34.125 139.396 -83.895
-  93.096  44.898 146.038 -43.098
-  93.888  50.878 141.289-140.332
-  91.826  41.303 148.306-113.939
- 123.900-121.695 118.877-122.938
-  96.739 -92.963 111.583 -82.531
-  92.947  46.892 147.877-113.930
-  96.700  61.970 144.639-137.435
-  97.075-166.930 134.359 -82.061
- 116.122 169.062 155.196 -94.861
-  94.380-169.318 135.613 -97.650
- 123.236-162.175 141.005-122.136
-  93.212   3.231 142.494-133.953
- 103.234 -66.797   0.000   0.000
- 126.543-158.004 158.069 174.097
-  91.683  48.933 144.126 -90.508
-  92.989  36.029 138.266-103.605
-  90.799  45.008 115.874 -75.893
-  89.869  44.034 145.590-114.418
-  92.898  48.563 140.484-102.350
-  90.510  47.106 142.110-123.115
-  92.079  43.158 142.579-122.369
- 119.116 159.885 121.518-129.948
-  93.461  45.731 116.400 -76.390
-  93.964  40.541 137.677-103.337
-  94.520  34.903 116.239 -76.073
-  92.986  40.987 129.441 -76.302
-  91.336  39.548 142.584-132.683
-  92.026  42.578 145.634 -40.037
-  92.466  35.670 144.253 -40.906
-  92.571  39.375 129.476 -76.238
-  93.163  42.890 130.295 -87.657
-  92.800  35.227 129.315 -76.207
-  93.207  40.354 139.290 -80.778
-  93.038  38.458 136.596 -87.639
-  92.036  46.696 144.990 -41.127
-  91.573  41.730 142.367-133.403
-  92.482  63.444 143.059-124.194
-  93.024   0.000 129.415 -76.269
- #  49 total E   -2.34540E+02 rmsd from N    0.000 %NC  0.00    1
-  93.628  74.255 138.133-102.060
-  93.583  50.799 139.775-102.905
-  93.000  36.493 143.717-134.222
-  92.496  41.724 129.488 -76.220
-  92.397  40.196 140.270-146.406
-  92.293  37.438 139.231-152.003
-  92.522  39.968 129.590 -86.536
-  89.392  41.376 141.071 -88.070
-  89.608  51.623 147.572-108.948
-  89.772  49.981 136.898-140.369
-  90.970  50.376 147.533-109.386
- 119.377-112.085 121.169-128.864
-  92.929 110.783 110.995 -83.024
-  92.794  62.120 150.072-125.585
-  92.342  39.863 145.087-136.864
-  92.987  38.467 133.851 -91.996
-  92.824  53.178 131.336 -85.662
-  92.911  88.198 134.566 -94.568
-  91.369  49.516 136.735-118.073
-  91.922  30.871 143.428-133.122
- 111.815-102.355   0.000   0.000
- 129.565-124.936 159.172 172.166
-  90.949  46.120 141.815 -88.996
-  92.591  41.870 136.737-105.016
-  90.413  42.774 115.135 -76.103
-  90.880  46.912 147.892-117.813
-  93.325  53.946 138.012 -97.074
-  92.422  34.824 143.010-124.690
- 114.727 -98.056 151.989 -20.519
- 119.127 100.357 121.749-130.198
-  91.194  44.341 115.549 -76.042
-  93.102  56.679 135.328 -97.369
-  92.973  35.945 115.920 -76.374
-  93.099  35.783 129.416 -76.208
-  91.154  43.572 142.808-131.453
-  91.744  43.462 143.559 -43.573
-  92.258  35.866 144.914 -41.455
-  92.792  36.911 129.373 -76.153
-  93.564  43.159 131.767 -87.223
-  92.735  37.969 129.385 -76.196
-  93.426  35.559 137.935 -76.446
-  93.981  37.390 137.109 -91.885
-  93.321  42.964 145.661 -40.459
-  92.336  42.392 142.943-137.580
-  92.425  61.826 142.997-124.148
-  93.019   0.000 129.409 -76.267
- #  50 total E   -2.33982E+02 rmsd from N    0.000 %NC  0.00    1
-  93.551  62.833 136.543 -97.451
-  93.352  54.820 140.777-111.279
-  91.703  43.505 143.297-133.328
-  92.460  36.838 129.390 -76.163
-  92.899  44.528 143.973-152.170
-  92.230  33.172 138.056-148.850
-  93.176  42.517 130.698 -83.914
-  91.658  36.440 139.905 -84.331
-  91.660  48.038 151.352-130.826
-  91.440  41.909 137.150-141.886
-  92.847  32.269 147.924-114.468
- 120.923-160.577 121.325-128.335
-  93.606  67.916 143.572-135.785
-  92.436  64.881 148.580-118.483
-  92.817 116.966 142.954-130.279
-  93.833  58.953 133.439 -95.316
-  93.249  71.791 133.099 -87.597
-  93.362  62.298 135.151 -99.896
-  93.023  67.288 142.424 -95.181
-  91.751  23.179 143.335-133.136
- 105.318-141.702   0.000   0.000
- 129.284 -82.354 160.748 163.930
-  92.965  48.522 142.519 -91.857
-  92.740  37.964 138.739-102.683
-  91.071  45.333 115.109 -76.150
-  91.357  84.579 147.404-118.453
-  93.668  78.267 141.813-115.039
-  91.473  57.107 142.567-124.082
-  93.619-150.342 144.132-124.845
-  93.040  70.743  99.859-114.687
-  91.788  43.382 116.129 -76.225
-  92.869  48.245 137.993-101.365
-  90.891  41.264 115.546 -75.977
-  92.315  37.805 129.351 -76.149
-  90.351  42.248 142.500-132.059
-  90.904  40.202 144.640-111.071
-  90.410  43.391 147.257-125.768
-  91.610  42.147 129.320 -76.106
-  91.683  42.585 129.883 -83.890
-  92.352  38.428 129.061 -75.980
-  93.347  37.036 137.497 -85.984
-  93.794  38.238 136.816 -93.512
-  92.633  45.354 146.022 -39.752
-  91.765  42.225 142.535-134.864
-  92.396  63.620 143.002-124.143
-  93.021   0.000 129.407 -76.264
- #  51 total E   -2.39112E+02 rmsd from N    0.000 %NC  0.00    1
-  93.603  57.504 137.580-102.604
-  93.619  52.329 139.610-103.419
-  93.229  37.641 143.796-134.571
-  92.542  39.636 129.853 -76.607
-  93.016  40.462 136.221 -26.943
-  92.990  35.256 139.542-149.989
-  93.080  41.511 129.738 -90.318
-  91.193  38.209 138.916 -84.799
-  91.741  52.503 145.118 -41.098
-  90.366  73.432 137.818-140.709
-  93.327-167.471 145.572 -39.270
-  92.756  65.152 100.719-113.688
-  92.158  46.907 142.642-132.931
-  92.536  87.174 147.119 -37.781
-  90.950  48.635 142.626-133.307
-  92.113  38.533 132.689 -91.124
-  92.070  50.589 130.370 -91.081
-  92.353  43.022 125.156 -70.983
-  92.421  49.900 135.392-166.658
-  91.234  30.436 143.207-132.594
- 100.901 -99.478   0.000   0.000
- 127.169-131.778 158.591 173.176
-  91.078  44.719 142.245 -91.004
-  92.730  36.734 136.771-104.885
-  90.212  44.786 115.363 -76.011
-  91.009  46.056 144.526 -43.063
-  92.904  47.973 136.707 -84.081
-  90.747  55.139 142.236-123.421
-  92.432-172.300 142.726-123.522
-  92.675  71.902  99.862-114.875
-  91.552  44.038 116.101 -76.193
-  93.160  42.292 137.003 -97.457
-  92.181  37.984 115.779 -76.142
-  92.646  37.647 129.361 -76.179
-  92.142  38.478 142.873-133.138
-  91.974  38.037 146.203-111.468
-  92.603  38.038 145.966 -40.879
-  92.364  38.453 129.341 -76.157
-  92.300  42.397 130.278 -86.822
-  92.309  38.702 129.346 -76.249
-  92.858  38.628 137.969 -75.108
-  92.988  39.357 137.300 -90.930
-  91.887  46.855 144.838 -41.346
-  91.430  42.013 142.049-132.324
-  92.464  63.622 143.014-124.287
-  93.022   0.000 129.413 -76.268
- #  52 total E   -2.44634E+02 rmsd from N    0.000 %NC  0.00    1
-  93.652  83.636 138.361-102.082
-  93.571  51.577 140.839-105.936
-  92.540  36.579 143.574-133.872
-  92.342  42.490 129.488 -76.198
-  91.812  43.488 140.834-155.953
-  90.985  36.377 138.612-153.996
-  91.661  44.893 128.775 -87.339
-  86.733  57.873 137.990 -85.790
-  88.449  48.990 144.103-105.682
-  89.296  51.585 138.898-138.600
-  93.166  58.085 147.014 -38.681
- 120.260 -69.239 121.544-128.613
-  94.600-176.840 143.695-134.670
- 111.678 161.916 152.716 -25.967
- 103.458 -95.308 146.644-142.016
-  93.755  52.182 134.289 -90.344
-  93.355  64.954 133.473 -87.517
-  93.014  80.331 136.287-100.491
-  92.355  45.086 137.919 -94.648
-  91.268  47.735 143.366-133.974
-  91.879  49.351   0.000   0.000
-  92.315  44.500 139.467-126.334
-  90.603  39.159 140.328 -91.817
-  92.446  39.220 135.906-103.645
-  91.421  42.410 115.305 -76.214
-  90.893  45.784 148.886-120.946
-  93.315  38.216 138.538 -97.646
-  91.964  56.688 142.854-124.510
-  93.590 164.622 143.032-124.841
-  92.679  56.210  99.967-115.204
-  91.175  43.256 116.037 -76.174
-  92.698  49.331 138.084-101.874
-  89.526  43.663 115.810 -76.000
-  92.092  40.306 129.314 -76.151
-  88.762  41.841 142.026-131.125
-  90.246  54.321 146.312 -40.398
-  89.723  42.503 143.703 -42.642
-  91.431  37.093 129.273 -76.077
-  91.774  45.091 129.509 -86.413
-  92.090  42.076 129.209 -76.102
-  92.311  36.757 137.912 -78.755
-  92.564  42.089 137.231 -90.945
-  91.542  46.238 143.891 -42.606
-  91.409  42.570 142.445-132.318
-  92.420  63.646 143.016-124.132
-  93.022   0.000 129.414 -76.269
- #  53 total E   -2.42248E+02 rmsd from N    0.000 %NC  0.00    1
-  93.549  72.140 136.507 -95.868
-  93.936  48.725 139.842-106.682
-  94.840  34.422 144.279-135.501
-  92.930  39.675 129.504 -76.223
-  93.064  42.098 139.948-144.872
-  91.957  36.757 137.738-158.964
-  91.899  43.554 129.105 -87.494
-  87.919  58.999 139.966 -86.244
-  89.446  40.244 143.004 -98.861
-  92.836  55.483 140.644-144.292
-  95.013  67.725 147.164 -38.255
- 123.623-133.488 120.708-125.410
-  91.520  73.132 142.959-133.644
-  91.118 130.440 144.565 -43.375
-  96.104  66.916 142.431-141.768
-  93.523  30.438 133.135 -91.444
-  93.255  47.685 134.882 -87.943
-  93.034  48.414 135.202 -89.946
-  93.505  37.274 142.515-120.608
-  94.464  36.649 144.239-135.703
-  96.852  33.633   0.000   0.000
-  94.597  44.908 140.774-128.220
-  91.867  33.714 139.564 -94.833
-  92.827  44.424 136.154-104.475
-  92.007  50.889 116.039 -76.222
-  90.638  44.899 146.069-100.127
-  93.944  47.950 140.151-116.944
-  94.422 -72.421 143.975-126.291
- 120.134 -97.822 152.797 -19.286
- 119.395 109.141 122.390-130.968
-  91.909  46.741 116.111 -76.228
-  92.671  58.922 136.128 -95.301
-  90.707  43.546 115.749 -76.600
-  92.086  39.906 129.369 -76.186
-  87.835  50.746 141.753-130.245
-  89.092  59.353 146.164-121.441
-  89.972  44.240 143.262 -41.929
-  91.644  38.724 129.310 -76.089
-  92.269  43.040 130.121 -87.597
-  92.308  40.394 129.362 -76.231
-  92.055  40.008 138.981 -77.758
-  91.999  43.481 137.301 -90.294
-  90.759  49.489 143.736 -42.850
-  90.786  42.177 142.136-127.662
-  92.470  65.322 143.032-124.262
-  93.024   0.000 129.416 -76.271
- #  54 total E   -2.42628E+02 rmsd from N    0.000 %NC  0.00    1
-  93.632 102.942 136.809 -95.800
-  93.754  46.661 139.600-104.627
-  94.273  35.221 144.130-135.290
-  92.704  40.093 129.854 -76.592
-  93.156  40.528 141.004 -22.308
-  90.143  38.241 138.675-149.663
-  91.730  43.171 129.554 -91.353
-  89.241  38.711 140.254 -85.734
-  90.832  45.467 144.916 -42.294
-  92.631  52.821 136.946-140.186
-  92.376  43.010 146.776-109.193
-  93.373  42.635 100.865-114.421
-  92.959  76.781 141.682-131.452
- 115.139-123.835 153.533-129.420
-  94.246 149.673 143.870-135.750
- 125.949-148.943 153.262-109.389
-  93.801  55.413 133.660 -89.022
-  92.798  96.902 136.821 -97.783
-  92.937  63.965 135.261 -91.292
-  93.572  37.755 144.052-136.155
-  93.649  39.577   0.000   0.000
-  91.604  48.930 134.517-124.536
-  90.474  41.682 138.148 -92.905
-  92.273  41.025 135.896-103.900
-  91.002  42.206 115.208 -76.154
-  90.886  42.611 146.464-112.675
-  93.465  42.968 140.843-111.729
-  91.843  50.059 142.780-124.322
-  93.196  43.795 143.039-123.192
- 120.937 168.938 121.812-129.301
-  92.422  51.442 116.223 -76.293
-  93.348  42.051 137.450-103.636
-  90.057  46.548 116.508 -75.686
-  91.776  41.731 129.368 -76.235
-  87.569  44.297 141.556-130.385
-  90.102  48.007 144.423 -41.532
-  90.459  40.796 143.118 -42.310
-  91.964  37.453 129.310 -76.107
-  92.548  42.584 129.805 -88.013
-  92.606  38.074 129.254 -76.192
-  92.896  38.676 137.999 -74.449
-  93.039  39.391 137.304 -90.822
-  91.984  46.348 144.898 -41.265
-  91.528  42.080 142.359-133.026
-  92.457  63.405 143.018-124.199
-  93.022   0.000 129.413 -76.268
- #  55 total E   -2.43246E+02 rmsd from N    0.000 %NC  0.00    1
-  93.879 125.833 139.225-103.161
-  93.223  45.635 137.947 -98.404
-  92.312  46.157 143.452-133.849
-  92.929  34.183 129.437 -76.229
-  94.318  41.560 146.065-168.116
-  91.681  35.312 142.161-156.507
-  92.304  44.125 129.518 -87.023
-  89.098  41.527 138.462 -86.479
-  89.360  54.693 146.364-109.882
-  87.477  52.704 135.197-141.638
-  92.292 132.740 144.895 -40.457
-  92.548  77.233 100.979-114.790
-  92.376  45.856 142.969-133.746
-  94.022 176.004 146.624 -37.304
-  94.046  79.230 144.136-139.166
-  93.542  41.840 131.436 -91.333
-  92.939  48.790 134.828 -81.947
-  93.010  51.361 140.121-107.197
-  91.460  41.764 133.581 -46.917
-  91.942  43.791 143.585-134.845
-  92.389  42.347   0.000   0.000
-  91.044  45.718 134.953-123.708
-  90.840  38.116 138.338 -91.977
-  92.651  42.370 135.898-103.580
-  90.875  42.188 115.526 -76.089
-  92.016  58.186 150.008-120.732
-  93.811  68.444 139.581-104.509
-  92.655 -61.329 143.044-124.802
- 114.887-148.222 151.724 -20.007
- 122.602 115.390 120.401-126.329
-  95.112  25.779 116.634 -76.544
-  94.090  49.864 137.652-103.334
-  92.604  36.213 115.929 -76.616
-  92.154  43.789 129.383 -76.262
-  88.034  46.387 141.706-130.611
-  91.068  45.896 144.860 -39.668
-  90.661  40.278 145.755 -39.239
-  91.714  37.252 129.282 -76.090
-  91.869  44.590 129.496 -87.298
-  91.935  42.766 129.306 -76.226
-  91.931  37.548 138.310 -78.478
-  91.948  44.509 137.253 -90.303
-  90.709  50.336 143.501 -43.785
-  90.563  42.024 141.831-125.653
-  92.518  65.635 143.058-124.337
-  93.024   0.000 129.418 -76.272
- #  56 total E   -2.41854E+02 rmsd from N    0.000 %NC  0.00    1
-  93.590  75.240 137.346 -98.746
-  93.761  51.094 140.954-106.827
-  93.128  35.405 143.757-134.305
-  92.475  41.793 129.492 -76.235
-  92.308  43.237 141.341-147.451
-  92.839  34.680 139.238-159.035
-  92.613  36.542 129.474 -88.154
-  88.755  48.330 138.017 -87.273
-  89.503  58.689 139.260 -51.707
-  88.105  70.251 135.435-140.175
-  92.354-167.415 144.957 -40.931
-  92.799  67.077 100.837-113.885
-  92.076  50.576 142.669-132.726
-  93.147  95.891 147.001 -37.064
-  91.389  60.119 144.741-140.306
-  92.012  38.813 133.491 -91.957
-  92.131  55.484 131.962 -87.133
-  92.443  94.827 132.715 -89.335
-  91.848  53.996 137.273-123.235
-  90.437  45.944 143.255-134.165
-  91.185  47.729   0.000   0.000
-  90.162  54.340 135.810-117.615
-  90.616  40.307 139.169 -90.669
-  92.618  38.983 135.706-103.137
-  91.792  43.390 115.385 -76.065
-  91.729  45.057 149.179-121.476
-  93.365  43.382 140.404-107.214
-  92.460   7.869 143.066-124.825
- 119.740 146.793 111.737 -82.124
-  93.243  48.104 100.076-115.037
-  92.530  39.994 116.253 -76.330
-  93.388  63.283 137.663-104.195
-  92.623 139.406 116.540 -75.869
-  92.473  44.052 129.366 -76.156
-  90.037  40.504 142.621-131.976
-  91.382  44.580 143.931 -41.005
-  91.620  36.415 144.233 -43.966
-  92.365  40.395 129.340 -76.132
-  92.855  42.579 131.595 -94.317
-  92.507  37.445 129.425 -76.207
-  93.279  36.803 138.060 -80.770
-  93.871  37.717 136.989 -92.356
-  92.789  44.383 145.833 -39.726
-  92.012  42.187 142.679-136.018
-  92.420  62.967 143.003-124.176
-  93.021   0.000 129.407 -76.264
- #  57 total E   -2.27109E+02 rmsd from N    0.000 %NC  0.00    1
-  93.621  72.287 138.020-101.889
-  93.612  50.553 139.727-103.419
-  92.968  37.107 143.695-134.165
-  92.559  40.804 129.460 -76.192
-  93.056  39.610 139.844-141.112
-  95.214  33.387 139.013-150.639
-  94.444  35.242 131.212 -85.648
-  92.423  40.362 141.968 -86.547
-  91.364  45.588 145.096 -42.340
-  92.049  49.778 139.270-141.281
-  92.864  37.775 148.958-115.482
-  93.266  39.139 101.588-113.358
-  92.026  41.405 142.615-132.377
-  91.179  42.721 145.853-114.544
-  89.426  61.138 140.527-130.420
-  92.711  56.661 134.480 -91.395
-  92.674  51.240 131.490 -90.298
-  93.385  29.478 136.022 -98.399
- 111.422-132.597 131.706 -45.813
-  93.797  44.826 144.067-134.547
- 117.605 -65.123   0.000   0.000
- 117.249-156.190 154.570  -1.365
-  91.061  55.204 138.797 -91.428
-  92.600  49.594 138.056-110.013
-  90.046  93.811 115.628 -75.756
-  93.855 -53.551 145.973 -39.620
-  94.342  92.906 138.948-103.395
-  93.690-134.635 143.487-125.566
- 120.666-171.376 152.386 -18.821
- 120.963 145.676 120.946-127.736
-  92.839  38.999 116.274 -76.317
-  93.668  40.615 137.987-101.124
-  92.927  38.299 116.625 -75.668
-  92.624  39.396 129.446 -76.289
-  89.660  40.438 142.084-131.312
-  89.663  49.431 148.336-120.648
-  90.820  38.645 143.212 -43.550
-  92.302  34.882 129.358 -76.142
-  92.382  44.911 130.001 -85.476
-  92.340  41.512 129.091 -76.204
-  92.421  36.944 138.296 -78.662
-  92.633  40.384 137.224 -90.985
-  91.638  47.412 144.175 -42.507
-  91.245  41.913 142.051-130.962
-  92.474  64.121 143.022-124.237
-  93.024   0.000 129.415 -76.270
- #  58 total E   -2.41215E+02 rmsd from N    0.000 %NC  0.00    1
-  93.630  74.714 138.168-102.082
-  93.596  49.509 139.496-102.596
-  92.925  37.592 143.778-134.115
-  92.501  40.842 129.498 -76.248
-  92.280  41.169 140.027-146.911
-  92.415  35.232 138.937-149.617
-  93.541  36.791 130.116 -86.692
-  91.612  39.377 139.282 -85.824
-  91.209  43.420 144.134 -42.716
-  91.633  53.229 138.128-143.461
-  93.036  40.977 145.727 -39.653
-  92.481  36.463 100.930-113.154
-  91.632  51.368 110.125 -83.222
-  91.516  42.587 143.732-108.800
-  92.158  40.625 143.423-133.590
-  93.331  37.625 132.539 -93.255
-  93.239  40.435 131.345 -86.447
-  93.040  55.724 139.281-101.982
-  91.777  53.335 140.707-127.669
-  91.503  24.007 143.283-132.857
- 109.144 -66.095   0.000   0.000
- 125.820-152.635 158.130 175.653
-  92.276  48.951 143.598 -90.876
-  92.952  35.275 136.749-104.597
-  91.509  45.239 115.644 -76.150
-  90.762  49.597 147.641-117.336
-  92.849  46.287 140.792 -98.546
-  90.927  48.463 142.333-123.602
-  93.614  44.461 143.334-123.755
- 120.566 179.536 121.886-129.601
-  93.089  52.938 116.352 -76.357
-  93.410  41.266 137.319-102.755
-  90.350  44.996 116.080 -75.755
-  92.076  45.339 129.311 -76.162
-  89.581  38.335 142.113-131.744
-  91.820  43.590 146.194 -37.504
-  91.344  38.952 144.804 -42.042
-  92.115  37.594 129.309 -76.131
-  91.926  44.292 129.621 -88.569
-  92.042  42.666 129.330 -76.284
-  92.174  38.005 138.883 -78.389
-  92.394  40.463 137.263 -90.714
-  91.617  46.958 144.203 -42.272
-  91.244  42.065 142.576-130.156
-  92.491  63.668 142.997-124.508
-  93.022   0.000 129.414 -76.269
- #  59 total E   -2.42533E+02 rmsd from N    0.000 %NC  0.00    1
-  93.856 113.410 140.055-108.420
-  93.276  52.944 139.252-100.770
-  91.164  42.351 143.141-132.853
-  92.253  40.580 129.507 -76.241
-  92.065  44.333 141.685-140.197
-  93.545  31.931 138.326-148.966
-  93.742  41.831 128.960 -81.547
-  94.297  31.517 137.561 -85.306
-  92.661  47.434 149.575-132.558
-  91.898  50.728 140.375-142.623
-  92.154  52.803 146.442 -39.463
- 120.487 -90.212 119.968-126.395
-  96.765-125.154 144.661-137.263
- 109.657 137.116 152.516 -26.882
- 130.443 -77.299 113.478 -84.811
-  93.874  58.180 133.974 -90.504
-  93.538  43.617 133.751 -87.277
-  93.075  43.315 134.865 -94.483
-  93.530  37.503 138.962 -96.208
-  94.833  41.489 144.382-136.105
-  96.459  30.176   0.000   0.000
-  95.098  41.643 139.267-126.688
-  95.650  30.802 137.801 -91.743
-  94.142  38.748 136.953-106.369
-  93.299  38.603 115.429 -76.273
-  93.299  46.176 146.786 -38.799
-  93.177  52.452 139.703 -95.536
-  91.935  25.532 142.760-124.194
- 118.071-160.732 152.260 -18.954
-  93.115  67.010  99.854-114.184
-  90.914  76.031 115.990 -76.156
-  92.935  78.820 135.512 -98.092
-  91.420  43.237 115.856 -75.819
-  92.444  38.538 129.378 -76.159
-  91.299  40.038 142.927-132.919
-  91.111  42.003 147.406-114.678
-  91.711  37.823 145.560 -41.131
-  92.179  38.846 129.337 -76.139
-  92.864  42.052 130.476 -86.757
-  92.679  35.792 129.460 -76.241
-  93.417  38.767 138.948 -77.601
-  93.346  38.103 137.216 -90.979
-  92.171  46.014 144.902 -41.190
-  91.868  41.579 141.603-135.372
-  92.482  63.289 143.041-124.339
-  93.021   0.000 129.412 -76.267
- #  60 total E   -2.41522E+02 rmsd from N    0.000 %NC  0.00    1
-  93.882 151.624 134.927 -86.876
-  93.902  43.063 141.843-117.554
-  92.044  36.582 143.596-134.709
-  91.965  44.716 129.805 -76.635
-  90.730  43.642 133.065 -29.846
-  92.882  33.584 139.255-141.779
-  93.539  41.404 130.131 -88.846
-  92.123  35.040 138.641 -86.017
-  92.408  48.037 145.472 -40.157
-  91.608  50.080 138.723-142.123
-  93.314  55.283 146.876 -39.405
- 121.541 -24.930 120.606-126.625
-  94.392-160.329 144.491-136.841
- 111.507  26.284 152.801 -27.187
-  95.129  43.908 144.387-136.599
-  93.938  41.198 133.713 -91.154
-  93.545  44.660 135.419 -92.161
-  92.874  43.712 138.869 -90.778
-  93.869  35.998 138.238 -85.983
-  96.097  37.744 144.784-137.272
-  95.351  34.900   0.000   0.000
-  93.613  48.805 140.236-130.966
-  91.340  36.725 138.774 -92.718
-  92.647  41.543 136.061-104.184
-  91.796  45.285 115.460 -75.981
-  91.655  43.489 147.528-116.269
-  93.793  35.319 140.105-109.674
-  93.379  50.611 143.560-125.744
-  94.325 153.788 143.372-124.429
-  93.195  47.850  99.876-114.267
-  92.374  41.698 116.232 -76.313
-  93.025  91.533 137.942-103.071
-  91.888  60.861 116.324 -76.214
-  92.620  36.874 129.379 -76.163
-  91.828  37.451 143.181-133.485
-  91.245  49.107 146.322 -40.485
-  90.903  43.894 143.797 -43.216
-  91.832  35.168 129.294 -76.106
-  92.192  46.157 132.878 -96.163
-  92.174  38.519 129.054 -76.074
-  92.588  40.063 137.866 -77.148
-  92.872  40.018 137.229 -90.526
-  91.898  46.682 145.075 -40.412
-  91.448  42.196 142.506-132.713
-  92.432  63.990 143.010-124.192
-  93.022   0.000 129.411 -76.268
- #  61 total E   -2.26167E+02 rmsd from N    0.000 %NC  0.00    1
-  93.695  79.558 139.394-106.796
-  93.427  50.740 139.096-104.715
-  91.674  40.210 143.296-133.277
-  92.255  44.204 129.482 -76.162
-  92.359  37.482 141.042-138.641
-  93.739  37.840 140.671-162.437
-  92.791  37.595 129.709 -86.279
-  90.265  42.072 141.320 -88.288
-  90.060  50.007 147.566-107.915
-  91.794  49.366 137.986-137.166
-  93.404  61.117 148.120-115.775
- 121.555 -23.885 121.422-127.933
-  96.061-175.196 111.374 -83.801
-  93.392  50.529 148.477-123.077
-  94.397  32.343 143.940-135.970
-  93.342  53.670 135.664 -94.342
-  93.021  70.085 128.636 -87.640
-  93.250  54.899 136.338-104.781
- 107.921 -11.310 142.365-118.408
- 113.034  59.457 152.332 -24.220
-  95.545  54.496   0.000   0.000
-  93.675 125.973 137.103-132.373
- 111.418-117.242 137.763 -85.839
-  92.692  55.235 136.965-104.107
-  91.908 156.879 115.614 -76.087
-  92.407  55.825 147.623-114.691
-  93.862  69.685 141.798-114.214
-  94.192  15.228 143.818-126.291
-  96.615 176.295 144.950-126.902
- 122.727 129.344 120.214-125.927
-  94.936  24.725 116.547 -76.527
-  93.780  54.466 137.594 -98.800
-  91.168  44.772 116.640 -76.183
-  92.163  36.964 129.361 -76.211
-  88.743  44.108 142.063-130.785
-  90.007  63.928 150.412-135.198
-  89.420  41.675 144.000 -42.490
-  91.404  36.854 129.311 -76.088
-  91.806  45.917 130.728 -79.430
-  92.031  40.967 129.289 -76.230
-  92.325  34.869 137.740 -79.728
-  92.308  46.510 137.149 -91.129
-  90.783  46.147 142.719 -45.549
-  91.319  43.404 142.510-131.372
-  92.373  64.068 142.996-124.080
-  93.024   0.000 129.430 -76.282
- #  62 total E   -2.37426E+02 rmsd from N    0.000 %NC  0.00    0
-  93.644  82.376 138.381-102.182
-  93.578  48.821 139.677-103.039
-  92.653  38.465 143.614-134.003
-  92.493  39.981 129.472 -76.232
-  92.727  43.195 142.414-149.613
-  93.623  32.563 139.497-151.838
-  93.675  36.529 130.183 -87.416
-  90.712  42.015 138.692 -86.627
-  90.610  45.849 142.703 -45.476
-  90.626  51.958 137.432-143.128
-  92.677  55.345 146.642 -39.626
- 119.355 -15.328 121.013-128.280
-  93.254-174.555 142.469-132.620
- 109.420  36.906 152.567 -27.469
-  93.166  37.206 143.683-135.281
-  93.343  54.769 133.915 -90.639
-  93.450  46.752 130.479 -91.553
-  93.211  87.490 139.725-108.738
- 113.346 -80.704 141.069-117.318
-  93.866  74.255 144.149-134.777
-  93.590  35.082   0.000   0.000
- 115.844  33.467 159.429 175.375
-  92.552  36.808 139.926 -89.545
-  93.630  34.115 136.624-105.973
-  93.397  44.391 115.596 -76.063
-  92.832  41.313 146.350 -39.748
-  93.623  39.167 139.000 -96.396
-  93.817  54.400 143.748-125.965
- 121.647-164.948 152.578 -18.958
-  92.881  71.928  99.900-114.567
-  91.815  42.046 116.146 -76.225
-  92.588  49.274 137.252 -95.309
-  90.923  39.376 115.528 -75.954
-  92.793  37.547 129.372 -76.182
-  93.593  33.441 143.525-134.473
-  92.316  44.366 147.224 -38.424
-  90.982  39.678 144.247 -42.997
-  91.932  37.258 129.286 -76.118
-  91.735  44.047 129.412 -87.448
-  91.989  43.776 129.257 -76.227
-  92.367  37.326 137.624 -77.576
-  92.727  39.612 137.284 -90.713
-  91.948  47.131 144.583 -41.528
-  91.339  41.859 142.076-131.642
-  92.487  63.765 143.018-124.313
-  93.024   0.000 129.414 -76.271
- #  63 total E   -2.42981E+02 rmsd from N    0.000 %NC  0.00    1
-  93.808 107.522 139.723-107.542
-  93.328  57.165 141.127-104.143
-  91.305  38.528 143.188-133.055
-  92.065  43.914 129.538 -76.264
-  90.531  43.258 139.357-153.944
-  89.560  40.679 138.299-149.821
-  91.196  46.838 128.905 -87.733
-  86.664  58.364 138.340 -82.435
-  88.494  47.816 145.142-117.264
-  88.763  54.678 138.524-138.290
-  91.839 160.543 144.599 -41.413
-  93.468  75.249 100.676-114.608
-  95.462  31.023 143.869-135.635
-  94.339  41.415 145.599 -39.452
-  94.663  44.531 110.789 -83.959
-  93.431  43.787 134.024 -89.717
-  94.420  36.412 131.445 -88.666
-  95.016  16.974 140.129-104.896
- 125.318-159.507 143.987-162.944
-  94.763  57.100 144.335-135.278
- 116.756-143.386   0.000   0.000
- 129.827  -4.632 159.019 170.233
-  92.524  53.101 141.492 -90.821
-  93.158  33.503 136.459-105.138
-  91.907  47.094 115.576 -75.599
-  91.232  41.516 147.556-123.163
-  93.247  42.822 139.461 -98.750
-  91.242  61.980 142.503-123.792
-  92.714 165.281 142.406-122.365
-  92.925  47.025  99.959-115.068
-  91.438  41.142 116.067 -76.202
-  92.827  47.753 139.030-108.222
-  88.870  47.455 116.182 -75.807
-  91.993  37.013 129.332 -76.147
-  88.643  43.180 142.027-131.047
-  90.088  52.914 145.269 -42.613
-  88.883  42.609 146.040-109.282
-  91.768  37.569 129.321 -76.097
-  92.297  39.768 129.800 -88.937
-  91.938  45.057 129.388 -76.238
-  91.725  37.289 137.927 -84.913
-  91.594  45.578 136.998 -91.960
-  90.209  52.248 142.775 -44.466
-  90.390  41.858 141.189-125.212
-  92.508  66.688 143.066-124.196
-  93.025   0.000 129.419 -76.274
- #  64 total E   -2.36413E+02 rmsd from N    0.000 %NC  0.00    1
-  93.922 124.106 140.116-106.907
-  93.203  59.608 141.585-109.384
-  90.503  40.593 142.906-132.489
-  92.087  42.129 129.385 -76.098
-  91.776  41.667 137.985-140.608
-  91.735  36.326 139.585-155.038
-  91.812  46.071 129.081 -86.844
-  88.059  66.924 141.422 -86.896
-  89.060  39.395 145.673-109.676
-  92.375  47.559 139.668-143.565
-  93.515 142.938 146.268-104.380
- 120.722  98.651 120.930-127.539
- 104.844-107.703 147.328-143.263
-  93.531  60.890 146.558 -38.004
-  92.111  39.242 143.320-134.678
-  92.480  49.744 131.755 -92.370
-  92.956  69.287 131.886 -88.963
-  92.695  55.031 137.123 -98.184
-  91.560  29.375 139.469-109.075
- 107.635 -70.246 112.234 -84.132
- 126.246 -87.844   0.000   0.000
- 127.619-144.953 158.686 167.890
-  93.321  43.831 138.742 -89.749
-  93.352  40.011 136.664-105.457
-  92.135  41.760 115.800 -76.112
-  91.955  41.025 148.676-115.726
-  93.634  43.594 141.436-107.821
-  92.261  49.866 143.000-124.732
-  93.755  47.311 143.343-123.838
- 122.504 174.806 121.346-127.683
-  91.388  56.136 116.064 -76.198
-  93.148  47.589 137.251-102.427
-  89.757  45.879 116.268 -75.436
-  91.963  41.262 129.346 -76.186
-  88.803  41.629 142.020-131.258
-  90.686  46.132 144.934 -40.655
-  90.406  41.787 144.064 -41.943
-  91.818  37.483 129.288 -76.100
-  92.123  41.499 129.599 -88.256
-  92.181  41.848 129.215 -76.153
-  92.544  37.733 135.613 -67.778
-  92.927  40.851 137.453 -89.749
-  91.889  45.781 144.848 -41.352
-  91.565  42.522 142.469-133.128
-  92.428  63.306 142.994-124.157
-  93.024   0.000 129.414 -76.268
- #  65 total E   -2.38314E+02 rmsd from N    0.000 %NC  0.00    1
-  93.629  74.307 138.153-102.106
-  93.593  49.650 139.389-102.489
-  92.912  37.501 143.711-134.183
-  92.468  41.448 129.487 -76.226
-  92.245  41.291 140.220-147.105
-  91.688  36.890 138.355-148.343
-  92.571  40.458 129.364 -87.360
-  90.584  40.061 138.565 -85.704
-  90.144  46.524 147.407-113.075
-  91.420  49.691 137.068-140.134
-  93.791  40.570 147.316 -38.023
-  92.743  38.744 101.180-112.500
-  89.754  51.651 141.132-130.072
-  90.764  50.996 144.675-115.539
-  90.380  42.931 142.752-132.212
-  92.476  37.437 132.630 -92.332
-  92.372  46.985 130.761 -85.371
-  92.584  58.701 132.290 -87.467
-  92.247  53.224 138.126-109.987
-  92.058  14.937 143.463-133.186
- 111.626-121.047   0.000   0.000
- 124.703-112.206 158.272 176.417
-  92.053  39.574 143.416 -91.996
-  93.052  49.331 137.057-105.741
-  92.010  67.444 115.751 -76.034
-  91.630 103.433 149.381-119.500
-  93.695  53.416 139.579-110.158
-  92.518  82.306 143.153-124.918
-  94.558-155.004 144.569-127.051
- 121.520   6.316 121.083-127.959
-  93.586  49.197 116.440 -76.389
-  92.944  37.885 137.222-102.292
-  90.329  49.424 115.282 -75.801
-  91.996  41.590 129.285 -76.134
-  89.278  39.479 142.104-131.532
-  91.279  45.289 145.102 -39.763
-  90.919  40.197 146.394-113.114
-  92.219  35.464 129.360 -76.136
-  92.775  41.430 130.164 -88.113
-  92.831  38.310 129.010 -76.057
-  93.357  35.465 137.874 -88.251
-  93.470  39.354 136.707 -94.500
-  92.431  43.669 144.522 -41.833
-  92.091  42.835 142.628-136.880
-  92.325  63.437 142.919-124.304
-  93.020   0.000 129.403 -76.262
- #  66 total E   -2.30989E+02 rmsd from N    0.000 %NC  0.00    1
-  93.690  86.665 138.955-104.498
-  93.448  50.569 139.503-101.727
-  92.234  39.163 143.471-133.623
-  92.428  40.946 129.390 -76.133
-  92.327  42.490 139.701-152.333
-  91.150  36.173 138.865-153.751
-  91.517  48.653 128.757 -86.021
-  87.231  63.805 140.857 -87.417
-  88.301  42.419 144.115-107.663
-  92.088  54.700 139.605-141.071
-  92.684  43.849 148.338-109.088
-  93.146  40.478 101.160-113.927
-  93.901  77.207 110.200 -83.453
-  92.964 -81.796 148.477-124.529
- 112.124  66.545 149.925-148.889
- 123.906-161.082 155.314-110.415
-  94.601  64.951 134.949 -89.765
-  93.856 130.038 137.790-103.395
- 118.408   6.459 138.969-129.959
- 132.634 -99.027 113.667 -84.125
-  93.318  61.450   0.000   0.000
-  90.765  52.506 134.619-121.356
-  92.042  36.818 138.176 -91.599
-  93.232  41.504 136.227-104.237
-  92.845  37.319 115.509 -76.336
-  91.900  56.612 151.037-124.828
-  93.154  59.480 137.947 -90.785
-  91.841  20.177 142.700-124.228
- 116.329-105.077 152.106 -20.067
- 119.262 108.443 121.749-130.115
-  91.806  51.259 116.102 -76.132
-  92.589  57.125 131.814 -65.472
-  93.275  32.444 115.977 -76.446
-  93.591  35.292 129.444 -76.224
-  94.254  37.072 143.746-134.685
-  91.834  43.086 146.000 -41.524
-  91.019  38.979 144.376 -42.184
-  92.022  37.464 129.302 -76.124
-  92.273  44.893 132.898 -83.513
-  92.311  38.390 129.251 -76.156
-  92.993  35.499 137.866 -79.239
-  93.223  41.217 137.063 -91.629
-  91.891  44.646 144.089 -42.775
-  91.811  42.681 142.438-134.903
-  92.402  62.853 143.007-124.125
-  93.021   0.000 129.413 -76.269
- #  67 total E   -2.34058E+02 rmsd from N    0.000 %NC  0.00    1
-  94.374 169.578 137.792 -98.879
-  93.344  52.935 139.363 -99.726
-  94.882  38.021 150.226 -33.075
-  93.069  36.465 129.489 -76.230
-  93.966  40.556 143.948-152.840
-  92.423  36.050 141.501-153.991
-  93.233  38.792 131.382 -79.951
-  93.621  32.438 139.724 -84.758
-  93.683  40.768 148.333-118.548
-  95.836  52.029 140.472-146.945
-  91.737  43.159 149.345-117.589
- 117.865 -95.031 121.725-130.717
- 103.114-109.402 146.761-142.074
-  91.771  73.450 151.299-134.246
-  89.786  64.865 142.474-132.428
-  93.115 114.636 132.466 -88.375
-  93.760  76.239 133.664 -95.984
-  92.988 114.513 137.883-101.212
- 119.569 -94.739 139.628 -98.529
-  94.606  46.695 111.346 -82.961
-  93.199  38.470   0.000   0.000
-  92.268  49.916 135.343-116.850
-  93.532  34.042 139.061 -91.779
-  93.714  33.358 136.509-105.349
-  93.752  43.720 115.548 -76.242
-  93.549  34.808 146.164 -41.883
-  94.200  51.497 140.094-105.347
-  94.918  41.476 109.802 -83.863
-  95.204 157.056 145.345-128.396
-  93.334  46.798 100.003-115.478
-  93.624  34.842 116.420 -76.431
-  92.873  57.857 137.744 -98.376
-  90.276  48.755 114.531 -76.206
-  91.883  36.988 129.336 -76.160
-  89.581  42.446 142.376-131.754
-  90.852  42.377 146.310-114.108
-  90.539  40.187 145.091 -41.772
-  91.342  40.066 129.266 -76.080
-  91.473  44.633 130.258 -95.836
-  91.769  39.291 129.289 -76.099
-  92.042  38.802 138.509 -82.956
-  91.957  52.600 137.092 -92.123
-  89.771  49.076 143.326-106.896
-  90.926  43.675 142.502-127.603
-  92.415  67.334 143.001-124.199
-  93.024   0.000 129.415 -76.267
- #  68 total E   -2.33027E+02 rmsd from N    0.000 %NC  0.00    1
-  93.742  94.151 139.527-106.957
-  93.263  52.881 139.366-100.510
-  91.731  39.374 143.308-133.321
-  92.285  42.534 129.581 -76.246
-  91.802  40.046 140.453-150.902
-  90.835  37.069 137.974-146.993
-  92.150  45.194 128.580 -97.564
-  89.020  39.458 136.891 -83.873
-  90.232  49.363 145.627-115.639
-  91.720  72.467 135.946-139.685
-  94.773-158.146 145.870 -37.653
-  92.061  75.418 100.662-113.595
-  90.888  44.991 141.897-130.476
-  90.905  67.322 149.335-122.088
-  92.276 119.803 141.240-127.134
- 122.292-137.972 152.919-112.883
-  94.178  60.909 133.934 -89.475
-  93.566  48.551 137.630-102.674
-  93.429 137.720 135.364 -37.553
-  96.493  61.261 111.458 -83.026
-  94.441  35.272   0.000   0.000
-  92.493  54.830 139.631-126.199
-  90.860  39.070 138.860 -91.531
-  92.502  40.324 136.071-104.535
-  91.412  43.568 115.298 -76.128
-  92.105  40.941 148.743-114.668
-  94.034  52.265 141.816-118.353
-  93.057  -9.089 143.328-125.483
- 118.121-146.781 152.036 -19.435
- 118.964 120.946 122.660-131.763
-  92.114  45.447 116.116 -76.268
-  92.713  77.066 136.145 -97.143
-  91.135  51.125 115.265 -75.673
-  92.731  37.713 129.395 -76.171
-  94.443  31.201 143.961-135.345
-  92.889  45.365 146.870 -37.725
-  91.089  38.896 143.828 -44.490
-  91.966  38.327 129.310 -76.132
-  92.408  42.317 129.780 -87.759
-  92.511  38.121 129.243 -76.140
-  92.894  38.755 138.133 -74.815
-  93.019  39.353 137.297 -90.877
-  91.936  46.476 144.867 -41.313
-  91.505  42.073 142.234-132.746
-  92.462  63.461 143.014-124.289
-  93.021   0.000 129.414 -76.268
- #  69 total E   -2.33018E+02 rmsd from N    0.000 %NC  0.00    1
-  93.679  83.001 138.917-104.442
-  93.476  47.382 138.784-103.763
-  91.047  43.838 143.100-132.996
-  92.209  42.339 129.437 -76.243
-  91.836  43.691 141.329-146.893
-  92.294  33.057 140.959-144.953
-  93.749  45.722 131.295 -84.958
-  94.127  28.693 140.218 -85.474
-  93.643  47.874 147.397 -37.802
-  93.133  49.168 139.876-140.936
-  92.347  52.187 148.510-116.802
- 119.778 -16.950 120.968-128.288
-  94.554  62.150 144.343-135.591
-  92.628  34.291 150.464-125.260
-  95.395  44.869 143.786-137.520
-  95.060   1.459 132.481 -94.623
- 116.336 174.441 154.481 -98.619
-  94.867  49.380 140.588-112.730
-  97.169  25.182 141.528-119.309
-  99.273  49.794 145.863-138.688
-  98.436 137.121   0.000   0.000
- 127.931 -85.015 161.155 167.907
-  91.908  50.939 140.370 -90.644
-  93.028  36.752 136.470-103.783
-  91.889  43.124 115.159 -76.164
-  92.038  86.921 148.880-119.473
-  93.743  52.896 140.441-108.940
-  92.487  44.556 143.098-125.001
-  94.328  38.342 143.829-124.457
- 121.820 162.116 121.365-128.020
-  94.272  38.406 116.521 -76.475
-  94.038  41.052 136.344 -93.006
-  93.288  38.445 116.727 -76.196
-  92.492  42.691 129.421 -76.294
-  90.114  37.435 142.218-131.952
-  91.551  43.778 145.272 -39.136
-  91.561  38.922 144.130 -42.538
-  92.466  36.170 129.306 -76.141
-  93.252  41.765 130.059 -87.924
-  93.070  35.954 129.309 -76.246
-  92.989  39.615 139.285 -72.682
-  92.882  38.398 137.418 -90.527
-  91.745  47.778 144.799 -41.426
-  91.246  41.704 141.895-131.345
-  92.478  63.881 143.005-124.216
-  93.022   0.000 129.413 -76.268
- #  70 total E   -2.37756E+02 rmsd from N    0.000 %NC  0.00    1
-  93.627  72.458 138.138-102.329
-  93.578  50.786 139.476-102.493
-  92.934  37.159 143.694-134.171
-  92.484  41.736 129.511 -76.232
-  92.197  40.720 139.320-144.062
-  92.539  36.517 138.833-148.808
-  93.105  40.604 129.537 -85.087
-  92.179  35.356 137.424 -85.368
-  91.916  43.609 148.401-126.226
-  92.904  45.756 138.239-141.743
-  93.098 121.479 145.989 -38.948
-  92.913  64.278 100.290-112.444
-  94.578  35.354 143.740-135.359
-  93.858  41.292 145.966 -37.986
-  91.991  46.233 111.777 -83.728
-  92.737  42.877 131.418 -96.027
-  93.289  51.747 130.954 -88.713
-  93.713   6.698 134.563 -90.387
- 122.610-146.900 146.803-146.780
-  92.591  74.642 143.835-133.994
-  92.452  73.279   0.000   0.000
-  91.874  61.570 137.802-127.140
-  90.319  37.304 138.905 -90.903
-  92.376  45.320 136.207-104.091
-  91.236  49.643 115.990 -75.792
-  90.947  43.828 149.723-112.697
-  94.253  46.822 139.425-109.119
-  95.612 -72.810 144.553-127.426
- 117.813-114.995 152.189 -19.163
- 120.618 118.593 123.061-131.406
-  91.700  45.537 116.089 -76.229
-  92.640  58.543 136.472 -98.494
-  89.009  58.114 116.135 -76.121
-  91.874  40.037 129.217 -75.990
-  88.280  42.894 141.973-130.921
-  89.882  44.465 145.322-111.153
-  90.646  44.007 143.902 -42.321
-  91.573  39.436 129.288 -76.095
-  92.026  42.815 129.889 -87.400
-  92.586  38.009 129.202 -76.080
-  92.940  38.763 138.053 -75.104
-  93.064  39.477 137.299 -90.999
-  92.062  45.346 144.863 -41.330
-  91.800  42.097 142.550-133.807
-  92.488  63.045 143.026-124.545
-  93.021   0.000 129.413 -76.268
- #  71 total E   -2.38722E+02 rmsd from N    0.000 %NC  0.00    1
-  93.642  80.871 138.262-101.860
-  93.595  48.513 139.333-102.394
-  92.875  37.959 143.740-134.187
-  92.475  40.800 129.496 -76.227
-  92.391  42.361 141.988-152.963
-  91.147  35.070 138.765-148.256
-  92.443  42.927 131.735 -87.601
-  90.137  39.018 139.219 -85.814
-  89.724  44.597 147.573-117.330
-  91.673  54.454 136.491-138.765
-  93.608  45.247 145.386 -39.424
-  93.428  33.966 100.949-114.146
-  91.272  55.181 142.233-131.743
-  91.869  89.079 146.331-121.190
-  90.796  56.482 142.958-136.214
-  93.127  50.247 132.480 -91.248
-  95.572-177.073 132.059 -91.076
-  94.323  61.346 137.866-106.559
-  95.734 119.375 140.629-102.657
- 122.293 -99.228 154.246 -13.040
-  96.631  38.445   0.000   0.000
-  92.224  48.147 138.759-121.348
-  92.301  37.341 139.063 -93.105
-  92.963  40.075 136.291-105.871
-  91.348  41.143 115.200 -76.217
-  91.191  56.294 149.192-123.225
-  92.760  45.129 137.555 -88.736
-  91.169  49.605 142.451-123.845
-  93.334-178.160 143.283-124.348
-  92.981  68.637  99.891-114.787
-  91.818  42.817 116.139 -76.231
-  92.894  47.445 136.166 -91.940
-  91.357  40.296 115.859 -76.314
-  92.418  37.660 129.351 -76.173
-  90.588  41.167 142.549-132.187
-  90.831  43.199 148.413-121.788
-  90.736  40.972 145.379 -40.783
-  91.598  37.469 129.291 -76.104
-  91.265  48.443 129.932 -80.351
-  92.091  40.247 128.823 -75.958
-  92.797  36.182 137.855 -83.997
-  93.436  40.384 136.983 -92.849
-  92.628  41.762 144.469 -41.053
-  92.616  43.297 143.119-139.910
-  92.375  61.445 142.980-124.139
-  93.020   0.000 129.414 -76.266
- #  72 total E   -2.25671E+02 rmsd from N    0.000 %NC  0.00    1
-  93.646  80.831 138.346-102.203
-  93.583  48.492 139.283-102.354
-  92.747  38.333 143.651-134.068
-  92.458  40.857 129.476 -76.221
-  92.328  42.972 141.669-152.497
-  91.477  34.807 138.714-148.303
-  92.242  43.765 129.750 -84.038
-  89.606  39.750 139.053 -86.718
-  89.891  50.776 147.539-117.814
-  92.413  48.412 136.647-140.485
-  92.914  41.792 149.409-114.213
-  92.971  41.134 100.971-114.943
-  93.421  45.130 110.350 -83.609
-  93.602 175.195 146.364 -38.317
- 111.307 -91.250 150.061-149.196
-  94.535  40.996 131.338-101.471
-  94.434  67.788 134.002 -88.153
-  93.896 -11.857 136.000 -96.131
- 119.898-131.833 144.566-129.721
-  95.015  94.163 150.544 -29.527
-  92.162  55.181   0.000   0.000
-  90.482  43.228 130.605 -39.591
-  92.257  41.977 139.106 -86.859
-  93.081  39.668 135.498-102.169
-  93.647  35.390 115.557 -76.545
-  94.186  93.725 152.650-134.134
-  93.561  64.321 139.974-100.657
-  92.137 -25.862 142.886-124.494
- 118.968-158.085 152.155 -19.251
- 119.286 124.315 121.762-130.203
-  92.122  71.357 116.184 -76.208
-  93.320  46.039 135.180 -92.284
-  93.244  37.527 116.251 -76.121
-  93.133  37.230 129.427 -76.196
-  92.152  39.651 142.902-132.788
-  91.098  43.597 147.674-123.799
-  89.608  46.133 150.516-133.184
-  91.109  39.295 129.288 -76.090
-  90.826  50.056 129.070 -78.360
-  91.935  44.521 128.780 -75.844
-  92.491  35.803 137.725 -84.670
-  93.116  40.398 136.989 -92.540
-  92.317  44.486 144.407 -41.230
-  91.931  42.491 142.706-135.735
-  92.414  62.752 143.003-124.173
-  93.019   0.000 129.413 -76.266
- #  73 total E   -2.42137E+02 rmsd from N    0.000 %NC  0.00    0
-  93.637  84.427 138.128-100.996
-  93.617  46.650 139.079-102.678
-  92.739  39.835 143.629-134.090
-  92.496  39.209 129.456 -76.242
-  92.434  45.829 142.935-154.327
-  92.483  31.752 139.498-149.764
-  92.965  40.565 129.869 -87.661
-  90.076  39.863 136.952 -86.024
-  90.959  52.447 143.957 -41.934
-  90.084  40.237 137.147-139.685
-  93.212  32.850 147.003 -40.212
- 122.846   3.738 120.020-124.580
-  96.890  47.356 143.344-134.857
-  93.434  35.696 146.121 -39.092
-  91.203  47.730 142.349-136.064
-  92.698  42.566 134.095 -87.769
-  93.101  39.132 130.922 -89.148
-  93.347  43.549 137.143-101.667
- 106.686 169.126 135.066-106.489
-  93.753  55.790 144.513-135.398
-  93.703  46.531   0.000   0.000
-  93.243 106.588 138.415-127.710
-  91.002  44.183 139.695 -89.791
-  92.387  40.067 136.492-104.956
-  90.318  45.090 115.183 -75.945
-  91.686  43.676 144.399 -40.859
-  92.938  40.080 140.649-111.265
-  90.460  62.596 142.136-122.955
-  92.370  48.577 142.485-122.271
- 120.059 144.254 121.623-129.219
-  92.382  39.772 116.193 -76.264
-  93.548  43.063 137.813-100.784
-  92.174  38.430 116.562 -75.899
-  92.480  39.744 129.395 -76.237
-  88.646  44.001 141.801-130.702
-  89.461  49.889 147.445-120.483
-  90.707  37.713 142.985 -43.248
-  92.327  35.746 129.360 -76.128
-  92.899  43.782 130.493 -86.636
-  92.691  36.144 129.239 -76.278
-  93.177  38.909 138.797 -78.519
-  93.212  38.730 137.231 -91.646
-  92.215  45.159 144.919 -41.208
-  91.812  42.286 142.548-134.599
-  92.429  62.629 142.973-124.331
-  93.020   0.000 129.401 -76.259
- #  74 total E   -2.32037E+02 rmsd from N    0.000 %NC  0.00    1
-  93.791 101.388 139.894-108.682
-  93.307  52.777 139.378-100.128
-  91.033  41.532 143.098-132.884
-  92.167  42.493 129.463 -76.235
-  91.438  42.209 140.930-139.822
-  92.785  34.378 137.879-148.140
-  93.565  41.010 130.951 -84.531
-  92.348  35.201 140.758 -86.014
-  91.776  45.801 149.420-121.924
-  92.560  49.223 138.531-140.955
-  92.983  36.810 149.345-119.866
-  94.068  49.834 101.059-110.390
-  93.379  87.435 141.719-132.936
- 107.452-154.922 152.456-135.125
-  95.455  51.210 144.253-136.694
-  94.089  33.655 133.590 -90.827
-  93.614  75.897 137.316 -93.612
-  93.494  84.821 137.140-105.822
-  93.003  66.737 139.804-111.759
- 124.785 -42.538 113.590 -84.176
-  96.668 150.607   0.000   0.000
- 132.154 -87.989 161.367 163.677
-  93.857  36.842 138.879 -90.803
-  93.353  48.509 136.761-106.128
-  91.939  52.993 115.182 -76.125
-  92.900 111.868 151.172-121.076
-  93.734  34.896 140.374-109.964
-  93.272 104.220 143.514-125.478
- 122.749-147.775 152.930 -18.383
- 121.506   9.178 121.052-127.892
-  93.789  46.710 116.467 -76.416
-  92.604  43.086 137.261 -97.127
-  90.575  45.266 115.107 -75.989
-  92.444  39.810 129.358 -76.168
-  94.177  31.960 143.656-134.902
-  93.948  38.747 145.948 -37.267
-  92.588  38.997 148.218-123.550
-  92.751  35.451 129.386 -76.195
-  93.250  38.361 130.244 -83.787
-  92.845  39.097 129.326 -76.296
-  93.272  37.235 137.877 -83.940
-  93.134  38.160 137.010 -92.562
-  91.828  50.207 145.685 -40.996
-  90.508  45.298 143.097-133.100
-  91.589  73.750 142.615-123.609
-  93.017   0.000 129.342 -76.228
- #  75 total E   -2.35431E+02 rmsd from N    0.000 %NC  0.00    1
-  93.626  71.802 138.157-102.510
-  93.558  51.848 139.183-101.514
-  92.986  36.660 143.728-134.215
-  92.363  43.890 129.609 -76.274
-  91.097  41.539 138.277-147.567
-  90.075  41.801 137.989-146.769
-  91.989  47.489 129.481 -89.797
-  89.476  36.957 139.218 -84.791
-  91.891  57.333 144.909 -40.079
-  93.153  89.600 137.259-142.310
- 107.398-156.216 151.441 -28.393
-  92.748  54.653 100.747-112.437
-  92.291  33.895 142.721-132.472
-  92.012  68.661 147.274 -38.794
-  89.529  47.614 139.837-127.606
-  91.871  41.643 132.190 -91.849
-  92.226  44.359 130.922 -85.261
-  92.591  45.704 133.567 -78.765
-  92.724  47.638 138.852-145.552
-  92.547  29.482 143.628-133.596
- 109.399 -65.749   0.000   0.000
- 126.257-147.510 158.187 173.912
-  92.998  45.693 141.468 -89.900
-  93.001  38.956 136.922-105.103
-  91.640  44.582 115.835 -76.056
-  91.355  47.164 148.587-118.734
-  93.464  32.786 140.966-113.136
-  92.223  60.622 143.139-126.922
-  93.967  65.170 143.323-123.806
- 119.746 146.385 122.115-130.185
-  91.880  44.416 116.120 -76.227
-  93.145  44.513 137.335-102.258
-  90.557  41.273 115.990 -75.536
-  92.585  38.943 129.281 -76.099
-  91.911  36.079 142.899-133.628
-  92.332  42.126 145.807 -39.548
-  91.641  38.166 144.307 -42.562
-  92.266  38.095 129.421 -76.239
-  92.726  42.158 130.038 -87.710
-  92.697  37.080 129.298 -76.206
-  92.999  38.772 138.028 -71.208
-  93.112  39.507 137.494 -91.939
-  92.003  45.946 144.912 -41.247
-  91.592  42.281 142.481-133.505
-  92.440  63.217 143.002-124.159
-  93.020   0.000 129.413 -76.268
- #  76 total E   -2.37783E+02 rmsd from N    0.000 %NC  0.00    1
-  93.705  98.135 138.612-103.010
-  93.507  47.793 139.144-102.146
-  92.315  40.938 143.496-133.790
-  92.465  38.484 129.458 -76.243
-  92.819  45.526 145.292-157.155
-  92.511  31.671 139.609-149.489
-  93.332  39.121 130.039 -87.487
-  90.304  41.118 137.860 -86.910
-  90.229  47.544 143.539 -45.791
-  90.631  54.240 137.007-140.063
-  92.757  61.013 146.368 -37.879
- 116.790 146.285 122.098-131.676
-  96.139  42.978 144.326-137.785
-  93.265  41.918 145.909 -38.927
-  90.671  44.840 142.577-135.095
-  92.599  46.527 127.555 -92.083
-  92.950  55.834 131.239 -89.102
-  93.294  66.860 137.103-101.255
- 112.715-124.043 142.520 -97.578
-  94.033  26.723 144.091-134.676
- 128.151-101.836   0.000   0.000
- 129.147 -93.817 160.431 169.875
-  92.117  41.467 139.896 -92.328
-  92.961  39.010 135.215-107.141
-  91.426  51.762 114.942 -76.029
-  92.676 101.291 145.975 -40.930
-  93.621  73.432 138.132 -95.630
-  93.344   4.314 143.454-125.863
- 106.309-174.226 150.149-137.066
- 120.792 133.695 121.220-128.560
-  92.665  38.615 116.124 -76.303
-  93.026  48.712 138.297-108.688
-  89.487  47.666 116.311 -75.701
-  92.093  38.049 129.343 -76.162
-  88.984  41.959 142.142-131.306
-  90.257  51.631 145.153 -42.916
-  88.533  45.418 145.917-110.014
-  91.539  38.259 129.296 -76.082
-  91.982  39.396 129.464 -89.120
-  91.836  43.450 129.432 -76.345
-  92.044  41.806 137.209 -82.577
-  91.844  45.508 137.242 -91.137
-  90.514  50.008 143.690 -42.747
-  90.800  42.373 141.989-128.078
-  92.443  65.968 143.013-124.209
-  93.022   0.000 129.415 -76.272
- #  77 total E   -2.28247E+02 rmsd from N    0.000 %NC  0.00    1
-  93.632  77.546 138.154-101.731
-  93.616  48.931 139.641-103.460
-  92.692  38.630 143.622-134.013
-  92.479  40.668 129.480 -76.238
-  92.140  44.699 140.965-147.706
-  92.240  34.091 138.025-153.724
-  92.210  46.771 129.979 -85.131
-  89.322  66.375 139.238 -88.033
-  90.682  45.640 144.913-108.119
- 100.055 -99.542 143.256-149.944
- 107.670 155.985 152.140 -28.834
- 119.135 -15.466 121.147-129.055
-  92.031 111.244 143.156-133.564
-  92.385  96.328 147.693-115.971
-  92.864  54.205 111.304 -83.396
-  93.176  56.326 132.792 -90.529
-  95.632 171.139 132.443 -88.505
-  93.697  66.001 138.075-104.165
-  93.400 116.282 140.429-109.316
- 117.695-129.102 151.562 -22.318
-  91.979  55.163   0.000   0.000
-  91.403  50.432 136.282-122.385
-  91.806  38.649 138.454 -88.855
-  93.020  38.462 136.181-104.835
-  92.890  40.555 115.392 -76.145
-  92.834  39.416 149.420-129.304
-  93.667  52.618 140.765-105.684
-  92.302  14.737 142.965-124.445
- 115.889-164.095 152.314 -19.209
- 121.479   2.545 121.109-128.011
-  93.094  53.433 116.376 -76.330
-  93.215  37.274 138.262-105.589
-  91.368  43.834 115.653 -75.384
-  92.591  39.154 129.409 -76.207
-  92.637  33.963 143.042-134.017
-  92.612  41.512 145.890 -39.473
-  91.608  38.080 142.761 -45.027
-  92.747  37.414 129.318 -76.257
-  93.984  42.511 130.608 -87.950
-  93.803  30.391 129.400 -76.268
-  94.133  41.663 142.451 -90.539
-  93.200  37.914 137.096 -88.023
-  91.945  44.620 144.935 -41.258
-  91.954  40.771 142.332-133.370
-  92.874  58.812 143.107-123.714
-  93.026   0.000 129.439 -76.289
- #  78 total E   -2.36732E+02 rmsd from N    0.000 %NC  0.00    1
-  93.607  70.791 137.739-100.935
-  93.721  54.111 142.243-111.902
-  92.316  34.351 143.501-133.828
-  92.207  44.278 129.477 -76.213
-  91.348  43.025 139.189-147.016
-  92.203  35.577 143.543-150.766
-  93.093  36.085 129.741 -87.440
-  92.739  36.522 138.507 -85.835
-  92.641  43.238 143.940 -41.356
-  93.062  53.775 140.342-149.585
-  93.179  60.505 146.794 -39.316
- 121.909 -42.958 120.363-126.031
-  94.366  74.759 143.874-135.084
-  92.605  54.142 146.591 -39.733
-  90.915  49.589 143.488-132.736
-  92.777  37.549 132.716 -91.375
-  95.536-179.349 131.855 -83.637
-  94.912-174.583 140.674-108.907
- 121.116-115.583 139.164-114.298
-  92.449  45.761 143.649-133.717
-  93.444  51.854   0.000   0.000
- 119.281  14.063 158.092-179.810
-  92.646  46.218 139.563 -90.699
-  93.156  38.491 136.202-104.872
-  92.934  48.010 115.446 -75.653
-  92.338  35.872 145.936-107.838
-  94.597  41.248 140.417-117.060
-  94.013  43.741 143.856-126.343
-  94.400 149.383 143.582-124.412
-  93.803  39.368  99.665-113.515
-  94.265  39.110 116.530 -76.504
-  93.516  87.148 137.810-104.539
-  93.228  92.669 116.549 -75.930
-  92.511  38.258 129.372 -76.156
-  91.640  37.628 143.129-133.478
-  91.697  48.257 145.575 -39.717
-  90.600  38.467 144.372 -46.296
-  91.823  39.029 129.312 -76.120
-  91.554  54.797 129.559 -87.105
-  91.813  48.596 129.277 -76.244
-  91.676  37.227 137.483 -67.765
-  92.093  43.288 137.523 -87.736
-  91.198  47.812 143.649 -42.726
-  91.138  42.223 141.991-129.865
-  92.475  64.534 143.023-124.494
-  93.023   0.000 129.415 -76.271
- #  79 total E   -2.44165E+02 rmsd from N    0.000 %NC  0.00    1
-  93.704  89.296 139.063-104.939
-  93.388  50.187 139.474-101.515
-  91.725  40.506 143.305-133.334
-  92.330  40.598 129.410 -76.183
-  92.692  42.450 142.268-146.284
-  93.262  34.254 138.625-148.465
-  93.308  41.331 129.953 -87.051
-  91.384  37.880 138.742 -86.212
-  91.244  47.761 148.511-114.925
-  92.328  51.350 137.781-140.300
-  93.649  60.683 147.095 -38.281
- 120.914 171.843 120.919-127.677
-  94.902  38.401 143.822-136.018
-  93.483  41.270 145.017 -39.512
-  92.405  57.485 142.586-141.203
-  92.990  38.207 130.669 -92.299
-  93.851  44.647 132.201 -88.477
-  94.396  14.368 138.607-105.939
- 118.792-173.507 145.731 -94.930
-  94.581  63.596 144.543-135.624
- 116.722 177.877   0.000   0.000
- 124.105  51.717 158.589 170.257
-  92.544  34.931 140.370 -89.276
-  93.496  37.145 135.330-106.864
-  92.388  49.659 115.592 -76.581
-  92.204  38.763 144.475 -41.340
-  94.162  55.340 139.593-111.654
-  95.432 -21.321 144.436-127.220
- 125.931 173.593 152.993 -17.783
- 121.892 134.790 119.972-126.112
-  96.732  25.864 116.879 -76.715
-  94.020  48.183 139.105-102.760
-  91.733  37.999 116.188 -76.459
-  92.567  41.602 129.395 -76.212
-  92.250  34.595 143.047-133.539
-  92.194  41.950 145.623 -39.558
-  90.828  41.011 146.780-122.303
-  92.075  37.534 129.335 -76.142
-  92.283  38.557 129.629 -88.359
-  92.246  41.122 129.313 -76.260
-  92.825  38.403 137.673 -85.319
-  92.742  39.887 136.991 -92.851
-  91.626  48.232 144.761 -41.467
-  91.080  41.757 142.042-129.782
-  92.505  64.303 143.033-124.334
-  93.022   0.000 129.415 -76.268
- #  80 total E   -2.39777E+02 rmsd from N    0.000 %NC  0.00    1
-  93.629  74.547 138.161-102.108
-  93.593  49.372 139.406-102.584
-  92.871  37.837 143.694-134.158
-  92.488  40.920 129.491 -76.244
-  92.211  41.663 139.941-146.849
-  92.373  35.059 138.703-149.129
-  93.198  37.962 130.316 -86.824
-  91.064  39.927 138.903 -85.217
-  90.979  45.201 144.298 -42.426
-  91.199  50.956 137.610-141.046
-  93.522  39.425 146.827 -38.576
-  92.731  38.876 101.059-112.314
-  90.113  51.818 141.256-129.504
-  91.188  51.800 146.393-113.746
-  91.305  37.628 142.598-133.020
-  92.688  39.533 132.629 -91.416
-  92.835  71.692 130.602 -82.311
-  93.424  44.334 135.018-101.488
-  94.110  31.724 139.277-101.453
-  94.583  46.281 144.379-135.829
-  94.018  42.674   0.000   0.000
-  93.810  40.423 138.206-128.033
-  93.678  33.068 138.418 -91.488
-  93.229  43.765 136.396-104.959
-  92.281  44.029 115.628 -76.375
-  91.235  44.476 149.858-121.919
-  93.936  46.040 139.327-106.954
-  95.494 -78.950 144.504-127.347
- 120.161 -94.702 152.900 -19.374
- 120.394 111.037 122.084-129.961
-  92.702  39.554 116.236 -76.313
-  92.665  58.077 136.446 -99.324
-  89.963  51.008 115.354 -76.033
-  92.087  38.952 129.338 -76.133
-  90.069  39.703 142.566-132.188
-  91.099  47.895 146.163 -40.612
-  89.643  41.419 145.745-107.493
-  91.905  36.957 129.334 -76.115
-  92.639  40.405 129.977 -86.623
-  92.632  38.010 129.153 -76.072
-  93.407  37.250 137.583 -85.248
-  93.545  38.614 136.899 -93.046
-  92.521  44.487 145.143 -40.455
-  92.010  42.603 142.510-137.370
-  92.306  64.187 142.950-124.084
-  93.021   0.000 129.400 -76.260
- #  81 total E   -2.41048E+02 rmsd from N    0.000 %NC  0.00    1
-  93.936 125.133 140.233-107.480
-  93.239  52.101 139.193 -99.811
-  90.800  42.387 143.017-132.726
-  92.173  41.673 129.388 -76.139
-  91.500  44.183 144.407-149.199
-  91.979  33.747 137.784-147.544
-  92.646  43.468 129.078 -89.071
-  89.218  42.334 138.761 -88.523
-  90.065  58.589 147.280-112.861
-  89.786 101.694 135.891-141.184
- 102.322-134.237 149.669 -34.368
- 120.443  20.512 121.694-129.005
-  92.716  55.742 143.384-134.004
-  91.948  93.492 146.353 -40.296
-  92.924  56.954 143.633-136.565
-  92.289  34.674 132.758 -91.108
-  92.276  60.700 130.651 -85.071
-  93.264  44.721 129.912 -83.983
-  96.534  30.629 139.013-103.329
-  99.405  30.191 145.835-138.941
-  98.562  35.269   0.000   0.000
-  96.372  39.567 139.352-130.702
-  93.771  34.993 138.715 -91.960
-  93.198  40.008 136.408-105.097
-  93.189  41.353 115.434 -76.468
-  92.217  41.317 149.180-121.234
-  93.796  41.888 139.921-107.587
-  93.647  47.085 143.663-125.846
- 123.985 171.118 112.827 -82.422
-  93.515  50.952  99.922-114.256
-  92.746  41.507 116.287 -76.347
-  92.909  76.175 138.922-103.976
-  91.435  48.363 115.985 -76.035
-  92.640  36.174 129.378 -76.165
-  92.223  37.245 143.280-133.819
-  91.657  46.319 145.671 -40.445
-  90.700  40.072 143.591 -44.715
-  91.988  37.252 129.308 -76.115
-  92.256  43.525 129.598 -87.804
-  92.287  39.981 129.173 -76.235
-  92.310  39.661 138.418 -78.213
-  92.393  42.547 137.266 -90.719
-  91.341  47.976 144.336 -41.863
-  90.948  42.678 142.741-130.165
-  92.397  64.504 142.957-123.976
-  93.023   0.000 129.414 -76.270
- #  82 total E   -2.28836E+02 rmsd from N    0.000 %NC  0.00    1
-  93.645  78.390 138.325-102.312
-  93.575  48.598 139.364-102.227
-  92.914  38.498 144.176-134.241
-  92.554  40.053 129.478 -76.211
-  92.097  41.248 139.722-150.208
-  90.800  37.617 138.404-147.735
-  92.133  44.564 127.938 -93.652
-  89.392  36.890 137.652 -84.008
-  90.199  50.785 145.537-110.897
-  92.152  45.487 136.879-141.505
-  92.370  48.423 148.547-111.847
- 119.257 -12.208 121.949-130.224
-  95.347  61.104 144.090-135.469
-  92.569 128.485 149.093-123.775
-  92.751  63.084 143.023-140.879
-  93.594  96.106 132.851 -90.194
-  96.340-161.132 132.840 -82.713
-  94.882-162.426 137.625-104.801
- 117.939 -76.762 142.182-106.422
-  96.314 -37.584 150.402 -30.872
-  95.315 103.839   0.000   0.000
- 115.981  18.072 153.848  -3.269
-  90.721  46.943 140.130 -87.207
-  92.731  39.198 136.260-101.311
-  91.523  39.542 115.257 -76.179
-  92.262  45.619 146.831 -37.410
-  92.944  58.610 137.841 -87.017
-  90.887  52.888 142.242-123.229
- 109.373-161.263 151.110 -21.120
-  93.153  71.964  99.804-114.366
-  93.534  36.440 116.400 -76.411
-  93.751  39.807 136.566 -98.630
-  93.882  36.987 115.983 -76.390
-  93.133  37.293 129.394 -76.222
-  95.750  29.825 143.990-135.769
-  95.083  37.028 146.591 -36.680
-  93.798  35.960 146.895 -40.683
-  92.754  37.794 129.351 -76.181
-  92.405  42.959 130.018 -86.438
-  92.174  41.284 129.283 -76.312
-  92.500  38.317 138.464 -78.300
-  92.785  39.847 137.295 -91.534
-  92.096  45.885 144.841 -41.280
-  91.480  42.313 142.961-131.852
-  92.461  63.203 142.985-124.408
-  93.021   0.000 129.415 -76.270
- #  83 total E   -2.36429E+02 rmsd from N    0.000 %NC  0.00    1
-  93.649  71.598 138.517-103.999
-  93.544  53.069 141.773-111.596
-  91.534  37.131 143.245-133.261
-  92.109  44.047 129.446 -76.188
-  91.340  42.401 139.463-142.727
-  92.090  36.105 140.193-146.945
-  92.999  40.290 130.497 -84.803
-  91.418  36.927 139.993 -87.010
-  91.584  44.945 148.078-120.133
-  94.236  53.315 138.670-139.520
-  93.004  68.043 149.146-118.235
- 120.342 -88.443 121.439-128.807
-  96.503-167.291 144.628-138.864
-  92.325  55.358 150.558-124.441
-  91.828  36.972 143.164-134.424
-  93.007  53.079 134.298 -89.721
-  93.213  89.838 132.357 -79.483
-  93.447  55.418 136.231-102.425
- 106.558 -26.665 142.133-117.712
- 116.242  71.914 112.541 -83.742
- 137.266 -15.625   0.000   0.000
-  94.232  47.847 137.411-124.254
-  94.097  33.224 138.993 -91.398
-  93.429  41.123 137.789-108.782
-  93.287  37.985 115.442 -76.439
-  92.425  40.061 148.503-117.906
-  93.596  45.193 142.731-123.718
-  91.194  49.664 142.513-123.668
-  92.556  49.624 142.738-122.637
- 121.526 167.309 120.977-127.681
-  94.407  38.675 116.529 -76.496
-  93.908  39.690 137.547-103.645
-  90.921  47.540 116.643 -75.945
-  92.027  42.555 129.345 -76.211
-  88.935  38.212 142.019-131.419
-  91.259  44.416 145.133 -40.213
-  91.057  39.411 143.746 -42.979
-  92.177  37.972 129.327 -76.135
-  92.514  40.984 129.818 -88.097
-  92.449  39.661 129.306 -76.231
-  92.731  38.251 137.034 -69.825
-  92.983  39.950 137.412 -90.308
-  91.939  45.915 144.870 -41.308
-  91.581  42.296 142.384-133.033
-  92.446  63.262 142.996-124.257
-  93.027   0.000 129.415 -76.266
- #  84 total E   -2.23240E+02 rmsd from N    0.000 %NC  0.00    0
-  94.118 154.023 137.916 -97.279
-  93.351  47.747 140.432-105.420
-  91.924  42.084 143.365-133.527
-  92.539  35.879 129.447 -76.218
-  94.518  47.765 152.653-172.210
-  92.578  32.550 142.486-152.305
-  93.921  47.001 130.251 -88.613
- 102.062 -90.565 139.288 -84.822
- 108.750 -98.395 150.498 -31.194
-  91.799  53.908 143.460-147.296
-  91.777-105.309 146.538-112.930
-  93.028  96.377 100.587-111.783
- 125.196-162.391 112.309 -84.776
-  93.595  87.521 150.004-123.534
-  92.160  47.650 143.188-134.136
-  93.434  83.019 136.372 -92.385
-  93.639  53.355 135.769 -72.021
-  93.343  38.383 137.403-102.794
-  94.107  27.843 139.802-109.139
- 125.450-159.901 113.239 -85.047
-  95.831 142.282   0.000   0.000
-  96.063  71.803 106.512 -79.606
-  91.465  43.855 141.565 -87.619
-  92.869  38.193 136.598-104.839
-  91.810  43.594 115.672 -76.091
-  91.890  57.363 151.345-119.042
-  92.974  37.300 139.522-101.156
-  92.221  49.062 142.988-124.759
-  94.805-179.727 143.958-125.165
-  92.893  75.193 100.045-114.859
-  92.034  42.097 116.170 -76.261
-  92.590  49.673 137.171-103.171
-  88.553  48.717 115.240 -76.080
-  91.633  41.559 129.290 -76.107
-  88.616  40.115 142.003-131.090
-  90.993  45.781 144.633 -39.202
-  89.991  39.545 146.490-118.538
-  92.057  38.172 129.348 -76.120
-  92.561  39.342 129.940 -87.757
-  92.326  40.412 129.196 -76.035
-  93.438  35.440 136.160 -82.289
-  93.693  38.378 137.054 -93.206
-  92.590  44.504 144.994 -40.974
-  92.122  42.030 141.724-136.539
-  92.449  62.397 142.999-124.392
-  93.018   0.000 129.418 -76.273
- #  85 total E   -2.30056E+02 rmsd from N    0.000 %NC  0.00    1
-  93.507  67.473 135.605 -93.170
-  93.900  49.861 139.395-104.618
-  95.094  32.993 144.364-135.634
-  92.945  40.822 129.564 -76.267
-  93.252  38.223 139.638-145.602
-  93.265  38.252 139.650-150.165
-  93.203  37.612 129.821 -86.880
-  91.196  40.051 140.319 -85.216
-  91.068  44.917 148.954-115.491
-  91.934  53.633 138.013-140.577
-  93.225  60.596 146.778 -39.340
- 121.517-176.739 120.599-126.642
-  94.176  32.634 143.770-135.652
-  92.675  50.157 145.792 -39.346
-  89.824  51.052 142.320-130.253
-  92.824  42.326 130.780 -96.202
-  93.039  34.258 131.024 -88.713
-  93.310  48.597 137.983-100.828
-  92.971  46.025 137.597 -91.955
-  93.050  36.919 143.732-135.082
-  94.280  37.269   0.000   0.000
-  93.213  46.784 135.828-122.764
-  91.206  43.189 141.338 -92.921
-  93.006  40.008 136.112-104.859
-  97.122  80.125 116.017 -76.864
-  95.115 -57.995 155.170-138.457
-  96.261 -60.191 139.558-113.062
-  96.976 -51.138 145.046-128.346
-  94.631 115.530 143.508-122.875
-  93.915  40.415 100.270-117.343
-  97.286  27.014 116.878 -76.800
-  94.032  57.567 145.130-112.970
-  90.438  42.053 115.607 -76.015
-  92.759  34.851 129.371 -76.197
-  93.585  35.549 143.634-134.680
-  91.735  44.032 146.571 -40.867
-  90.630  41.860 143.792 -42.832
-  91.532  37.557 129.265 -76.102
-  91.549  44.591 129.270 -86.355
-  92.301  39.584 129.095 -76.082
-  92.845  37.326 137.887 -78.141
-  93.116  39.396 137.200 -91.368
-  92.161  45.626 144.730 -41.477
-  91.683  42.230 142.399-134.140
-  92.441  63.049 143.020-124.180
-  93.021   0.000 129.413 -76.268
- #  86 total E   -2.32307E+02 rmsd from N    0.000 %NC  0.00    1
-  93.924 125.153 140.055-106.687
-  93.202  58.565 141.314-109.732
-  90.622  40.877 142.952-132.605
-  92.111  41.723 129.384 -76.111
-  91.883  40.991 139.001-143.316
-  91.519  37.088 139.671-151.526
-  91.805  42.584 129.511 -85.612
-  88.556  42.736 139.273 -86.088
-  90.083  46.972 145.813-112.397
-  92.613  50.370 137.249-140.294
-  92.889  44.385 148.807-116.911
-  92.948  37.200 101.831-116.600
-  92.753  60.399 149.676 -33.048
-  92.099 -16.897 146.341-117.131
- 120.609-137.722 113.091 -84.383
-  94.536  78.007 134.774 -87.455
-  94.341  55.822 133.957 -88.229
-  94.219 159.568 138.657-103.398
- 114.931-151.688 145.651-145.351
- 119.983-152.217 154.561 -19.442
-  95.130  83.408   0.000   0.000
-  93.157  83.938 138.964-127.230
-  91.289  41.306 138.479 -88.627
-  92.690  41.358 136.443-105.466
-  91.737  40.951 115.200 -76.102
-  91.705  42.403 148.190-114.759
-  93.572  42.462 140.941-106.201
-  92.282  51.021 143.007-124.761
-  93.688  47.302 143.281-123.709
- 122.430 173.037 121.399-127.787
-  91.172  56.275 116.027 -76.177
-  93.113  49.056 137.240-102.288
-  89.873  45.336 116.241 -75.380
-  92.057  40.792 129.347 -76.180
-  89.183  41.096 142.153-131.524
-  90.794  46.310 144.945 -40.537
-  90.549  41.740 144.216 -41.873
-  91.803  37.293 129.292 -76.103
-  92.216  41.958 129.634 -88.182
-  92.297  40.843 129.213 -76.146
-  92.591  38.030 136.073 -67.375
-  92.945  40.491 137.448 -89.776
-  91.899  45.882 144.856 -41.341
-  91.562  42.436 142.436-133.107
-  92.432  63.312 142.992-124.173
-  93.020   0.000 129.414 -76.268
- #  87 total E   -2.39393E+02 rmsd from N    0.000 %NC  0.00    1
-  93.665  82.223 138.659-103.439
-  93.491  49.984 139.245-101.968
-  92.414  39.420 143.530-133.855
-  92.425  40.510 129.453 -76.215
-  92.086  43.000 140.071-147.394
-  91.740  34.883 138.627-148.258
-  92.693  41.900 129.581 -87.287
-  90.492  37.300 138.452 -87.282
-  90.594  48.038 150.983-122.451
-  90.587  52.597 137.732-138.445
-  92.967  62.871 146.793 -39.317
- 118.843-160.892 121.939-130.077
-  93.076  53.355 143.415-134.848
-  92.625  45.084 145.474 -40.273
-  91.103  45.873 143.165-137.289
-  92.176  41.685 131.863-100.889
-  92.126  47.662 130.543 -88.483
-  92.856  95.004 135.783 -89.381
-  91.886  42.639 137.992-108.353
-  90.711  47.578 143.045-132.393
-  93.748  79.736   0.000   0.000
-  92.408  39.428 137.418-119.223
-  93.503  37.593 139.752 -90.905
-  93.152  39.729 136.343-104.426
-  92.304  43.040 115.293 -76.370
-  91.951  40.832 149.056-119.668
-  93.973  40.730 139.947-107.874
-  93.934   6.112 143.798-126.183
- 121.455 148.977 111.993 -82.087
-  93.270  48.467 100.000-115.100
-  92.785  40.665 116.293 -76.356
-  93.454  61.078 137.736-104.408
-  92.682 141.201 116.542 -76.072
-  92.655  44.372 129.383 -76.166
-  90.487  38.759 142.778-132.641
-  91.131  46.517 144.371 -41.188
-  91.563  37.588 143.758 -44.343
-  92.679  38.321 129.366 -76.156
-  93.391  38.914 129.937 -87.577
-  92.651  40.147 129.527 -76.356
-  92.652  40.382 137.803 -69.925
-  92.996  36.431 137.364 -89.934
-  92.229  47.133 145.477 -40.026
-  91.322  40.137 142.922-136.415
-  92.938  69.195 143.233-124.965
-  93.010   0.000 129.387 -76.217
- #  88 total E   -2.36840E+02 rmsd from N    0.000 %NC  0.00    0
-  93.489  65.617 135.168 -91.866
-  94.304  43.204 138.895-105.542
-  97.104  31.429 145.016-137.065
-  93.285  38.750 129.653 -76.327
-  93.805  42.339 144.349-160.516
-  92.157  34.522 141.059-153.866
-  93.341  36.271 130.512 -85.363
-  90.637  41.205 139.685 -86.485
-  91.425  44.214 143.448 -45.939
-  94.302  54.854 138.682-141.931
-  93.238  70.950 149.314-117.883
- 120.004-136.335 122.195-130.112
-  92.964  75.944 143.415-134.797
-  91.967 131.710 145.332 -41.938
-  95.914  62.458 141.837-138.223
-  93.782  33.006 133.380 -91.336
-  93.178  54.240 138.277 -93.125
-  92.682  47.485 136.558 -92.691
-  92.103  42.298 134.450 -49.330
-  91.947  43.038 143.535-134.293
-  93.263  41.345   0.000   0.000
-  93.159  39.728 135.185-119.485
-  94.085  35.484 138.276 -91.130
-  93.237  41.061 136.361-105.007
-  92.759  40.079 115.383 -76.297
-  92.556  43.400 150.101-123.849
-  93.778  36.838 139.636-101.998
-  93.425  75.000 143.574-125.726
-  97.175-121.469 144.969-128.680
- 120.773 -80.386 121.097-128.449
-  92.938  50.532 116.337 -76.314
-  92.865  39.410 137.095-102.260
-  88.789  50.047 115.391 -75.902
-  92.048  44.258 129.206 -76.161
-  89.700  36.559 142.250-132.143
-  91.433  44.301 145.543 -39.707
-  90.627  41.749 143.508 -43.777
-  92.015  37.964 129.205 -76.094
-  92.687  42.145 129.823 -88.832
-  92.818  35.278 129.321 -76.258
-  92.898  43.414 139.969 -78.271
-  92.848  37.522 135.915 -81.749
-  92.113  44.783 145.050 -40.981
-  92.406  38.744 142.511-133.680
-  92.977  59.654 143.335-123.857
-  93.026   0.000 129.444 -76.299
- #  89 total E   -2.41255E+02 rmsd from N    0.000 %NC  0.00    1
-  93.883 118.662 140.018-107.478
-  93.368  55.487 140.809-104.781
-  91.284  39.448 143.168-133.017
-  92.115  42.749 129.529 -76.232
-  91.798  43.270 143.538-146.444
-  93.911  31.544 139.237-151.593
-  94.281  35.580 130.886 -85.777
-  91.341  41.616 140.730 -86.911
-  91.286  45.560 143.432 -45.390
-  92.741  52.300 138.355-141.226
-  93.109  65.439 149.018-117.131
- 120.706 -17.976 121.900-128.964
-  95.083 172.456 143.924-136.675
-  92.493  50.070 148.952-121.724
-  92.804  35.553 143.443-134.736
-  92.814  45.589 134.263 -91.708
-  92.423  43.342 130.127 -93.167
-  92.648  53.453 135.807 -99.734
-  91.997  35.251 139.036-110.650
- 100.016 -97.366 146.016-138.409
- 125.638-104.400   0.000   0.000
- 124.264  11.871 158.201 171.917
-  90.222  55.393 138.924 -89.405
-  92.007  45.816 135.908-103.922
-  88.626  46.219 114.933 -76.233
-  92.072  52.051 144.806 -37.283
-  93.121  39.149 140.115-111.129
-  91.734  60.924 142.775-124.163
-  94.044-175.050 143.409-124.574
-  92.957  73.900  99.896-114.827
-  91.751  43.192 116.107 -76.223
-  92.676  51.798 138.560-101.993
-  90.174  42.154 115.567 -75.938
-  92.429  38.558 129.348 -76.169
-  90.893  38.678 142.702-132.323
-  90.277  48.405 150.638-135.882
-  89.822  40.763 143.962 -42.253
-  91.461  37.880 129.288 -76.094
-  91.579  44.677 130.686 -84.624
-  92.026  41.327 129.243 -76.167
-  92.284  35.541 137.763 -79.040
-  92.354  44.947 137.152 -90.899
-  90.973  46.448 143.121 -44.526
-  91.305  43.028 142.350-131.504
-  92.392  64.063 143.003-124.103
-  93.023   0.000 129.415 -76.270
- #  90 total E   -2.38373E+02 rmsd from N    0.000 %NC  0.00    1
-  93.637  76.119 138.307-102.442
-  93.569  49.821 139.364-102.249
-  92.876  37.482 143.708-133.758
-  92.502  41.641 129.515 -76.220
-  92.142  41.530 139.681-149.923
-  91.463  36.416 138.650-147.934
-  92.230  44.480 129.565 -87.309
-  90.655  36.530 136.204 -82.350
-  90.993  49.634 146.651-114.794
-  92.706  43.983 137.233-140.522
-  95.016  34.475 147.956 -36.945
-  95.215  34.798 100.895-108.176
-  94.923  41.320 142.545-132.781
-  93.689  36.864 145.189 -41.037
-  93.152  52.300 144.093-135.685
-  92.883  38.533 133.415 -94.189
-  94.177  53.561 131.946 -88.464
-  94.913 -52.296 137.833 -97.065
- 123.439-116.214 144.730-124.423
-  94.724  66.583 111.405 -82.971
-  93.680  75.096   0.000   0.000
-  91.975  56.951 135.866-123.575
-  91.201  40.156 138.794 -90.389
-  92.756  38.620 136.250-104.549
-  91.963  40.194 115.274 -76.221
-  91.306  47.497 149.596-126.069
-  92.710  42.054 140.964 -99.709
-  90.828  51.988 142.290-123.571
-  93.233  44.781 143.031-123.142
- 120.545-173.357 121.772-129.317
-  92.017  58.046 116.201 -76.241
-  93.418  42.057 137.350-102.693
-  91.040  41.374 116.240 -75.636
-  92.296  41.650 129.380 -76.214
-  89.740  39.344 142.102-131.659
-  91.616  42.770 144.802 -39.719
-  92.401  35.917 144.887 -42.479
-  92.898  37.529 129.378 -76.173
-  93.198  42.021 130.075 -87.528
-  92.526  40.014 129.427 -76.369
-  92.472  39.149 139.263 -77.357
-  92.634  39.419 137.308 -91.229
-  91.879  47.165 144.805 -41.374
-  91.226  41.970 142.725-130.298
-  92.484  63.703 143.009-124.386
-  93.022   0.000 129.416 -76.271
- #  91 total E   -2.38328E+02 rmsd from N    0.000 %NC  0.00    1
-  93.852 106.859 140.431-110.905
-  93.234  56.111 139.371-100.020
-  90.994  42.125 143.076-132.830
-  92.217  41.547 129.271 -76.067
-  91.857  41.002 135.556-141.096
-  93.314  34.082 138.331-148.642
-  93.544  39.365 132.083 -86.323
-  90.464  38.497 141.211 -86.353
-  91.339  47.142 144.277 -42.299
-  92.200  52.745 138.398-141.267
-  91.394  58.891 147.979-109.615
- 117.676 -92.094 121.857-131.167
-  95.425 -58.086 144.290-136.483
- 107.960-137.080 151.292 -28.040
- 116.956 159.190 152.548-149.703
-  93.522  37.934 134.130 -94.496
-  93.277  47.520 133.513 -87.577
-  92.782  74.913 140.714-102.963
-  90.739  41.072 134.797-109.496
-  89.826  51.089 143.009-133.136
-  91.069  47.662   0.000   0.000
-  90.747  43.954 136.477-118.432
-  93.628  32.813 137.765 -89.540
-  93.295  42.265 136.405-104.989
-  93.576  37.451 115.614 -76.699
-  92.630  43.558 152.751-127.561
-  93.578  35.519 140.135-102.261
-  93.158  81.097 143.453-125.513
- 107.719-126.118 150.396-136.506
- 120.150 -81.888 121.239-129.002
-  92.615  50.101 116.311 -76.295
-  92.994  40.877 137.152-102.234
-  89.710  45.337 115.616 -76.055
-  92.026  42.541 129.285 -76.180
-  89.077  39.090 141.998-131.602
-  91.054  45.079 145.334 -40.322
-  90.685  39.578 142.792 -43.684
-  92.214  38.178 129.263 -76.146
-  93.219  43.536 130.167 -88.377
-  93.119  33.116 129.344 -76.255
-  93.168  42.724 140.963 -85.171
-  92.758  39.969 136.419 -87.032
-  91.171  47.971 144.715 -41.666
-  90.697  43.747 141.957-132.839
-  92.058  64.816 142.856-120.419
-  93.020   0.000 129.406 -76.267
- #  92 total E   -2.29476E+02 rmsd from N    0.000 %NC  0.00    1
-  93.627  79.969 137.993-100.811
-  93.621  47.849 139.264-102.843
-  92.923  38.471 143.692-134.175
-  92.518  40.170 129.467 -76.214
-  92.561  43.794 142.199-151.717
-  92.022  34.479 138.848-149.926
-  92.030  43.844 130.679 -85.263
-  88.501  46.347 138.129 -86.944
-  89.371  41.187 146.193-110.018
-  92.527  56.070 137.072 -22.566
-  93.172  47.681 145.977 -40.140
-  92.976  38.390 101.938-115.541
- 108.860-125.895 151.655 -25.827
- 122.967 176.102 159.068-136.807
-  95.086-161.660 144.079-138.272
-  95.057  46.690 135.733 -94.116
-  94.569  57.625 133.836 -88.102
-  94.354   8.639 140.281-116.751
- 112.330-152.860 147.836-123.531
-  96.139  56.988 111.475 -82.977
-  93.655 130.021   0.000   0.000
-  93.964  40.983 131.445-123.155
-  92.303  40.021 139.198 -91.148
-  92.411  40.488 136.153-103.588
-  90.593  43.033 115.007 -76.348
-  92.172  41.505 146.356 -38.608
-  93.192  41.297 141.649-118.335
-  92.783  24.463 109.146 -83.405
- 117.034 112.435 151.288 -21.207
-  93.315  53.237  99.876-112.072
-  92.337  41.535 116.229 -76.283
-  93.239  43.183 139.564-104.561
-  91.508  39.896 116.262 -75.775
-  92.587  38.379 129.355 -76.197
-  89.995  41.002 142.261-131.694
-  90.038  46.522 147.309-119.325
-  91.058  37.663 143.367 -44.155
-  92.349  36.002 129.364 -76.145
-  92.820  43.456 130.416 -86.690
-  92.675  36.269 129.241 -76.269
-  93.167  38.911 138.835 -78.578
-  93.191  38.623 137.228 -91.627
-  92.195  45.417 144.924 -41.198
-  91.756  42.182 142.477-134.150
-  92.451  62.938 142.973-124.353
-  93.021   0.000 129.413 -76.268
- #  93 total E   -2.39761E+02 rmsd from N    0.000 %NC  0.00    1
-  93.630  74.145 138.176-102.234
-  93.587  50.029 139.402-102.370
-  92.913  37.302 143.719-134.160
-  92.454  41.744 129.539 -76.245
-  92.046  41.363 139.915-147.314
-  91.640  35.424 138.557-148.729
-  92.720  40.548 130.409 -92.492
-  89.160  40.787 141.239 -86.804
-  90.132  48.061 143.984 -42.923
-  91.648  51.341 136.963-139.804
-  92.393  41.118 146.624-107.271
-  92.861  37.677 101.106-115.149
-  90.067  49.028 141.072-129.361
-  91.119  69.130 144.838-115.175
-  90.074  50.611 140.562-135.109
-  92.940  42.755 132.675 -91.586
-  95.467-142.114 132.243 -90.167
-  96.221 170.501 139.258-106.728
- 102.634-160.899 143.072-114.928
-  95.621  52.349 144.677-136.879
-  95.948  33.590   0.000   0.000
-  94.059  43.171 136.808-126.697
-  91.752  39.626 138.865 -93.165
-  92.383  43.275 136.065-104.008
-  90.234  41.356 115.105 -76.133
-  90.747  46.402 149.092-116.885
-  93.137  39.728 141.214-113.102
-  91.438  54.300 142.596-123.941
-  93.512  55.774 143.148-123.683
- 121.675 154.242 121.379-127.958
-  92.868  40.150 116.287 -76.325
-  93.901  40.022 137.469-103.030
-  91.833  41.205 116.737 -75.927
-  92.100  41.742 129.443 -76.289
-  88.521  41.585 141.762-130.929
-  90.511  45.631 144.799 -41.205
-  90.740  38.958 143.058 -43.022
-  92.158  38.336 129.325 -76.124
-  92.649  42.631 130.000 -87.876
-  92.641  37.016 129.289 -76.215
-  93.050  39.000 138.518 -76.617
-  93.098  39.339 137.251 -90.988
-  92.003  46.188 144.925 -41.234
-  91.577  42.138 142.433-133.484
-  92.451  63.354 143.021-124.171
-  93.022   0.000 129.413 -76.268
- #  94 total E   -2.42152E+02 rmsd from N    0.000 %NC  0.00    1
-  93.646  78.435 138.418-102.733
-  93.585  51.357 139.570-102.395
-  92.731  37.251 143.625-134.009
-  92.417  42.362 129.470 -76.181
-  92.290  41.280 140.242-146.145
-  92.175  35.909 138.887-149.397
-  93.513  38.384 130.073 -86.859
-  93.516  35.254 137.847 -83.136
-  93.210  40.230 148.173-124.637
-  95.774  37.070 138.771-142.172
-  94.949 150.457 146.329 -38.161
- 121.870 143.925 120.579-126.458
-  91.299  34.139 142.663-133.302
-  92.131  52.198 144.998 -40.367
-  91.276  41.633 144.404-129.456
-  92.911  48.569 134.246-100.089
-  93.623  30.525 131.483 -89.133
-  94.252 155.213 138.650-100.726
-  94.359  59.885 146.916-127.218
-  95.878  25.393 144.658-135.822
-  96.593  36.216   0.000   0.000
- 120.019  17.025 157.929-175.118
-  92.717  45.121 138.865 -92.920
-  92.787  39.183 136.727-105.958
-  91.991  42.521 115.451 -76.087
-  91.650  39.498 149.502-115.917
-  93.884  43.100 139.510-100.345
-  93.051  22.368 143.367-125.398
- 115.171 149.615 110.969 -82.284
-  93.612  44.224  99.993-114.409
-  93.195  41.133 116.364 -76.401
-  93.430  77.170 137.651-104.176
-  93.064 115.283 117.183 -75.935
-  92.257  40.567 129.363 -76.158
-  88.220  45.451 142.060-131.007
-  90.317  53.674 145.061 -41.181
-  89.864  42.618 143.834 -41.859
-  91.391  36.774 129.267 -76.072
-  91.267  46.281 129.250 -86.660
-  91.887  44.093 129.122 -76.097
-  92.224  35.742 137.959 -80.067
-  92.472  41.569 137.196 -91.141
-  91.498  46.942 143.753 -43.066
-  91.322  42.085 142.163-131.208
-  92.452  64.239 143.013-124.511
-  93.022   0.000 129.411 -76.269
- #  95 total E   -2.37209E+02 rmsd from N    0.000 %NC  0.00    1
-  93.589  66.774 137.359-100.125
-  93.598  50.138 139.605-104.735
-  93.929  36.608 143.942-134.660
-  92.951  37.430 129.421 -76.179
-  94.745  36.707 140.702-136.794
-  98.235  33.486 138.658-150.004
-  95.919  33.854 132.725 -82.840
-  95.951  34.372 143.503 -88.647
-  93.208  42.182 152.594-134.929
-  93.772  53.286 142.627-145.113
-  91.913  42.585 149.206-119.115
-  93.511  50.886 100.765-112.768
-  92.746  85.224 141.870-132.851
- 107.184-154.128 152.360-133.957
-  95.482  52.588 144.249-136.642
-  94.133  34.510 133.653 -90.763
-  93.644  76.861 136.736 -95.091
-  93.732 102.762 136.828-107.250
-  93.094  52.615 140.048-118.087
- 120.060 -73.941 112.781 -83.827
- 107.509-168.254   0.000   0.000
- 128.417  12.901 158.076 169.725
-  91.190  47.908 141.952 -90.923
-  92.667  35.949 136.242-104.756
-  91.385  43.267 115.108 -76.075
-  90.858  45.398 148.357-118.392
-  92.880  45.636 141.536-101.550
-  90.871  47.995 142.296-123.540
-  93.407  43.640 143.206-123.497
- 121.088-179.361 121.572-128.764
-  92.680  52.744 116.283 -76.323
-  93.493  40.317 137.341-102.828
-  90.326  46.574 116.651 -75.750
-  91.900  40.962 129.232 -76.115
-  87.492  44.506 141.493-130.367
-  91.213  40.931 143.885 -41.642
-  92.427  38.536 145.599 -39.567
-  92.680  35.403 129.357 -76.156
-  93.128  42.028 130.074 -87.727
-  92.660  38.603 129.303 -76.316
-  92.537  39.750 137.739 -68.089
-  92.601  39.719 137.445 -89.657
-  91.426  48.836 144.674 -41.655
-  91.007  41.688 141.687-129.549
-  92.497  64.497 143.020-124.261
-  93.022   0.000 129.414 -76.269
- #  96 total E   -2.35181E+02 rmsd from N    0.000 %NC  0.00    1
-  93.893 125.743 139.481-104.185
-  93.194  48.235 137.960 -97.528
-  93.319  44.054 143.752-134.549
-  93.238  32.796 129.476 -76.247
-  94.459  40.659 143.951-159.345
-  92.252  35.811 141.667-157.529
-  92.388  44.568 129.878 -85.691
-  89.759  37.389 138.064 -84.917
-  91.580  56.645 146.891-116.844
-  92.642  61.502 138.386-143.076
-  91.349-120.431 147.568-110.011
- 120.857  96.190 120.954-127.677
- 114.459 175.322 153.331 -18.531
-  92.523  63.231 151.797-129.924
-  93.560  30.168 143.669-135.159
-  92.926  48.038 136.718 -83.311
-  92.557  46.298 130.365 -91.546
-  93.044  52.692 137.648 -97.423
- 105.291   1.657 141.683-110.479
- 110.312  38.209 152.173 -24.420
-  94.821  36.156   0.000   0.000
-  92.282  53.346 135.065-127.398
-  89.778  40.566 138.671 -91.929
-  92.239  40.861 135.813-103.198
-  91.011  43.550 115.414 -75.991
-  91.967  61.241 149.561-119.716
-  93.813  68.998 139.575-105.286
-  92.479 -61.938 142.964-124.651
- 114.730-146.893 151.709 -20.037
- 122.429 114.313 120.552-126.651
-  94.772  26.769 116.578 -76.511
-  93.959  50.118 137.591-103.063
-  92.192  38.057 115.979 -76.663
-  92.052  42.199 129.375 -76.253
-  87.456  47.677 141.573-130.234
-  90.644  47.857 144.693 -40.955
-  90.255  40.764 145.194 -39.268
-  91.573  37.271 129.271 -76.079
-  91.728  44.717 129.531 -86.351
-  91.911  43.146 129.312 -76.211
-  92.010  36.139 137.777 -78.020
-  92.134  44.764 137.298 -90.715
-  90.970  46.325 143.253 -44.299
-  91.196  42.898 142.655-129.002
-  92.454  63.821 142.976-124.556
-  93.023   0.000 129.416 -76.271
- #  97 total E   -2.27287E+02 rmsd from N    0.000 %NC  0.00    1
-  93.632  77.038 138.171-101.865
-  93.601  48.891 139.331-102.551
-  92.876  37.916 143.680-134.158
-  92.475  40.980 129.479 -76.223
-  92.368  42.290 141.160-149.192
-  91.711  35.802 138.667-148.380
-  92.425  41.205 129.457 -87.180
-  89.632  41.226 139.905 -88.665
-  89.321  45.636 148.839-114.140
-  89.950  51.380 136.314-139.059
-  92.931  40.262 144.930 -40.946
-  93.214  37.840 102.117-112.787
-  95.035  40.480 150.102 -32.512
-  93.628  36.675 145.508 -39.501
-  91.226  54.777 143.785-138.387
-  92.434  41.905 129.555 -85.403
-  93.107  56.241 131.465 -88.219
-  93.597  11.327 136.770-104.128
- 113.529-134.021 138.892 -53.170
-  95.445  40.201 111.406 -82.973
- 123.676 -50.587   0.000   0.000
- 127.024-145.659 160.077 168.915
- 119.743 -92.553 165.134-121.907
-  93.130  45.322 137.161-105.192
-  90.993  52.162 115.626 -76.169
-  91.061  45.018 146.665-110.684
-  92.812  51.670 141.088-110.315
-  90.019  69.954 141.915-122.532
-  91.477-170.513 142.397-122.411
- 121.270   0.700 121.232-128.329
-  92.481  60.345 116.228 -76.251
-  93.233  38.104 137.787-105.271
-  91.714  41.846 116.371 -75.913
-  92.390  39.942 129.462 -76.235
-  90.552  41.510 110.716 -82.871
-  89.800  51.540 151.030-126.095
-  90.016  38.195 145.760-109.381
-  92.431  35.498 129.406 -76.153
-  93.293  39.798 130.642 -86.224
-  92.623  38.960 129.225 -76.172
-  93.146  36.870 137.765 -84.162
-  93.158  39.898 136.991 -92.824
-  92.042  45.868 144.662 -41.631
-  91.618  42.182 142.358-133.871
-  92.448  63.239 143.034-124.170
-  93.022   0.000 129.414 -76.268
- #  98 total E   -2.32300E+02 rmsd from N    0.000 %NC  0.00    1
-  93.651  82.784 138.255-101.793
-  93.610  52.075 141.218-107.936
-  92.481  36.233 143.555-133.836
-  92.284  43.529 129.560 -76.215
-  92.040  44.410 141.538-155.638
-  91.585  34.846 139.004-151.846
-  91.941  47.671 128.979 -86.832
-  87.661  65.243 137.989 -86.272
-  89.219  41.496 144.225-111.790
-  94.008  56.757 140.444-140.577
-  94.223  76.476 150.817-113.493
- 119.050 -86.234 122.998-131.655
-  96.242-179.726 111.298 -83.148
- 112.541  88.976 155.228-135.439
-  96.029  90.697 150.522 -30.897
- 120.926-122.979 154.502-113.205
-  94.250  41.622 133.941 -89.025
-  93.205  47.895 137.469-101.844
-  92.169  61.628 140.809-140.424
-  91.513  64.454 143.471-136.067
-  92.295 157.301   0.000   0.000
- 119.374  61.674 157.488 179.796
-  90.502  46.103 140.844 -88.977
-  92.437  40.186 136.443-104.863
-  90.995  43.166 115.703 -76.001
-  91.202  44.990 149.612-116.317
-  93.493  38.031 138.700 -98.872
-  92.480  54.802 143.109-124.956
-  94.070 175.788 143.509-125.378
-  92.472  65.108  99.931-115.111
-  91.166  44.872 116.044 -76.166
-  92.571  47.378 135.205 -86.168
-  90.722  40.483 115.997 -76.344
-  92.406  38.836 129.339 -76.169
-  89.302  43.032 142.115-131.205
-  89.605  49.218 147.708-120.735
-  90.134  42.107 144.670 -41.436
-  91.514  37.027 129.287 -76.090
-  91.722  44.801 129.858 -86.274
-  91.996  42.944 129.222 -76.164
-  92.088  37.290 137.771 -77.883
-  92.301  43.540 137.283 -90.432
-  91.222  46.375 143.554 -43.170
-  91.407  42.801 142.316-132.434
-  92.401  63.920 143.005-124.121
-  93.027   0.000 129.414 -76.269
- #  99 total E   -2.42497E+02 rmsd from N    0.000 %NC  0.00    1
-  93.585  87.677 136.848 -95.892
-  93.638  45.129 139.088-101.446
-  94.845  38.405 144.251-135.583
-  93.347  34.733 129.527 -76.274
-  94.380  40.483 142.922-153.071
-  92.181  36.252 140.532-155.833
-  92.508  41.136 129.617 -86.623
-  90.521  38.112 138.446 -86.365
-  90.313  49.430 148.078-118.723
-  89.425  47.729 137.821-141.224
-  92.336 132.847 145.649 -39.412
-  92.294  82.107 101.045-115.173
-  90.401  55.536 142.285-132.384
-  92.128 153.474 145.366 -41.149
-  96.886  77.027 145.087-142.673
-  93.970  23.821 132.794 -91.596
-  93.408  59.162 136.951 -86.426
-  92.936  73.739 135.117 -97.320
-  91.437  47.888 135.202 -55.692
-  90.972  42.651 143.233-133.644
-  92.838  41.608   0.000   0.000
-  93.099  41.662 137.935-120.521
-  93.509  35.060 138.329 -91.040
-  93.323  39.119 136.263-104.888
-  93.385  40.121 115.565 -76.430
-  92.995  38.727 150.271-125.084
-  94.163  44.214 141.274-107.817
-  94.106  39.484 143.889-126.409
-  95.340 143.364 144.354-127.438
-  94.099  42.010  99.701-113.253
-  95.582  31.272 116.730 -76.629
-  93.308  52.476 137.855-105.890
-  90.310  59.659 114.961 -76.265
-  92.025  40.099 129.322 -76.167
-  89.878  37.441 142.522-132.106
-  91.527  54.798 146.407 -37.559
-  89.479  44.026 144.287 -43.085
-  91.140  36.672 129.250 -76.064
-  91.288  46.383 129.553 -78.880
-  91.961  42.856 129.190 -76.085
-  92.196  35.375 138.114 -80.831
-  92.345  42.848 137.158 -91.349
-  91.004  47.428 142.909 -44.309
-  91.339  42.092 141.338-132.097
-  92.456  64.208 143.034-124.282
-  93.023   0.000 129.416 -76.270
- # 100 total E   -2.45952E+02 rmsd from N    0.000 %NC  0.00    1
-  93.574  69.824 137.053 -98.352
-  93.805  54.169 141.723-111.686
-  92.746  34.204 143.634-134.021
-  92.243  44.754 129.451 -76.164
-  91.905  42.384 139.562-145.133
-  92.385  36.202 136.623-158.102
-  92.601  35.563 129.538 -87.121
-  88.766  49.295 140.255 -86.015
-  89.960  47.311 141.756 -46.779
-  93.434  58.108 137.425-143.639
-  94.095  75.538 148.526-113.273
- 120.724-139.124 122.674-130.418
-  94.456  43.761 143.734-135.551
-  92.304  44.114 144.928 -38.841
-  90.352  42.844 141.746-133.543
-  93.073  47.904 132.272-100.083
-  92.734  33.178 131.152 -89.341
-  93.360 124.652 139.627-112.975
-  93.160  64.556 137.934 -95.942
-  92.177  34.564 143.541-133.945
-  94.300  42.589   0.000   0.000
-  93.859  37.114 134.963-121.709
-  91.975  42.525 140.448 -94.327
-  91.985  41.220 135.778-103.309
-  88.728  49.662 114.937 -76.272
-  91.101  41.591 144.394 -42.151
-  93.870  55.956 137.283 -88.629
-  94.858 -38.785 144.143-126.825
- 123.413-105.567 153.149 -18.548
- 118.883 121.153 121.898-130.520
-  92.261  45.447 116.126 -76.268
-  92.789  78.664 139.344-102.192
-  91.000  39.576 115.518 -76.543
-  92.108  44.562 129.395 -76.173
-  87.525  61.115 141.723-130.158
-  89.474  49.163 144.479-111.094
-  91.248  39.267 144.726 -40.683
-  92.369  36.138 129.357 -76.125
-  92.766  42.663 130.314 -85.326
-  92.328  40.151 129.506 -76.484
-  91.803  42.406 138.958 -75.239
-  91.748  45.270 137.435 -89.619
-  90.740  47.283 143.654 -42.579
-  91.068  43.085 143.342-129.391
-  92.401  64.700 142.976-124.175
-  93.023   0.000 129.414 -76.271