corrected example CSA run with 4P

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa.CSA.rbank

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa.CSA.rbank b/examples/unres/CSA/4P/outputs/1l2y_csa.CSA.rbank
index ffcdf40..b21976d 100644 (file)
--- a/examples/unres/CSA/4P/outputs/1l2y_csa.CSA.rbank
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa.CSA.rbank
@@ -1,4201 +1,4201 @@
- jlee =  1   nbank = 200   nstep =     200     76167 0     1692.87399
- #   1 total E   -1.57303E+02 rmsd from N    0.000 %NC  0.00
-  93.618  46.898 143.600-133.110
-  92.697  99.001 148.675 -39.514
- 130.732-116.562 147.962  -2.615
- 126.343-143.577 157.321-160.285
-  91.798  59.032 114.267 -68.589
- 123.438-151.190 144.124-134.417
- 109.258  76.616 137.071 -70.489
-  93.028  94.469 142.045 -98.262
- 119.994-119.749 105.423 -90.142
-  95.619  66.542   0.000   0.000
- 131.231 -39.988   0.000   0.000
- 112.062-168.804 121.879-130.068
- 146.348-164.543 121.958 -87.390
- 111.266 -48.763 118.717 -81.369
- 142.308 -32.177   0.000   0.000
- 130.497 -74.531 103.782 -62.932
- 117.760-109.380 119.385-126.463
- 117.850-119.813 113.038-114.402
- 116.546 115.612 129.904-140.332
-  93.469   0.000 115.032 -77.102
- #   2 total E   -1.37711E+02 rmsd from N    0.000 %NC  0.00
- 115.586 173.542 116.321 -76.311
-  92.782  27.275 150.818-133.865
- 109.784  71.064  94.037 -81.218
-  92.994  79.950 145.555 -63.859
-  91.737  33.272  97.092 -97.910
-  93.646 101.727  94.284 -96.297
-  91.991 -19.412 150.475 -44.973
-  97.149 -76.566 139.791-126.115
- 120.781 -61.037 154.203 -11.482
-  94.763  74.737   0.000   0.000
- 120.573   5.008   0.000   0.000
-  92.697  58.462  95.706 -90.981
-  92.145  49.581 116.049 -72.392
-  93.332  51.110 112.928 -80.194
-  95.071  70.340   0.000   0.000
- 127.249 -71.537 115.830 -81.592
- 117.988-106.730 118.273-125.566
- 118.217-118.850 112.469-113.762
- 117.477-110.153 122.011-128.867
-  94.600   0.000 116.355 -77.423
- #   3 total E   -1.32704E+02 rmsd from N    0.000 %NC  0.00
- 118.001-108.640 159.613  -5.817
- 121.853 168.477 176.339-163.496
-  93.669  89.278 127.201 -42.479
-  93.293   4.167 135.657 -88.451
-  91.309 -91.266  86.537 -70.968
- 111.094 166.056 143.170 128.513
-  92.262  72.845 153.824 -19.765
- 116.179 162.964 128.495-129.204
-  93.781  84.328 149.110 -23.239
- 124.997   5.809   0.000   0.000
- 124.388 -36.414   0.000   0.000
- 117.270-137.292 124.879-132.351
- 128.190-143.514 142.200 -12.702
- 125.475-140.216 120.341 -79.810
- 133.687-115.716   0.000   0.000
- 128.594 -84.322 122.640-148.664
- 117.979-108.187 115.646-120.756
- 117.774-133.969 116.797-120.117
-  93.028  60.114 101.561-103.158
-  93.333   0.000 114.373 -77.392
- #   4 total E   -1.31718E+02 rmsd from N    0.000 %NC  0.00
-  93.640   3.219 151.729 -36.841
- 127.516 -64.170 138.833-126.150
- 130.186-164.296 166.492 164.089
- 125.077 -64.584 168.778 113.855
-  91.088 -20.932 109.756 -48.330
-  92.214 105.422 163.235-120.642
- 109.013-178.118 154.756 -20.652
-  93.366  58.318  64.118  45.564
-  94.745  72.680 143.500-107.902
- 138.530 -67.227   0.000   0.000
- 122.022 -30.948   0.000   0.000
- 133.143 123.500 115.121-109.206
-  94.596  48.599 133.601 -61.655
- 128.778 -95.679 124.963 -79.176
- 120.355-174.008   0.000   0.000
- 130.489 -81.910 124.630-162.215
- 117.932-108.112 115.640-120.415
- 117.957-135.341 112.352-114.014
- 117.043 129.232 127.708-136.352
- 119.463   0.000 144.696-102.531
- #   5 total E   -1.30778E+02 rmsd from N    0.000 %NC  0.00
- 117.568-153.457 147.543 -24.409
- 120.687-169.622 140.744 -65.351
-  94.044  86.717 102.276 -83.237
-  92.851  87.670 136.155 -88.963
-  90.761   0.245 113.106 -99.877
- 102.324 -82.118 171.601 160.635
- 119.430-156.762 156.410 -14.683
- 131.167 -78.160 135.394 160.755
-  94.785  -9.731 107.523 -81.535
- 137.692 -23.649   0.000   0.000
- 128.725 -52.225   0.000   0.000
-  93.474  85.377  99.040 -99.574
- 134.426 -85.977 153.483 -85.394
- 127.922 -80.175 156.371 -91.766
-  95.330 163.305   0.000   0.000
- 129.214 -97.064 112.226 -54.078
- 117.764-108.880 119.585-126.608
- 117.909-115.401 111.766-112.831
- 117.554-116.247 125.776-133.718
- 121.540   0.000 149.034-101.331
- #   6 total E   -1.30461E+02 rmsd from N    0.000 %NC  0.00
- 118.773-113.194 147.521  -8.430
- 122.192-177.484 176.005-162.023
-  94.454  84.930 143.539-109.480
- 121.946 -76.215 122.481 -73.333
- 106.129 156.630 133.087-151.795
- 120.742  38.474 104.932 -92.740
-  92.740 120.552 146.244 -36.774
-  91.015 -24.597 147.485-146.633
-  90.573 -58.280 145.989 -30.028
-  94.778  12.219   0.000   0.000
- 110.539 -55.481   0.000   0.000
-  89.668 -27.456 128.970-156.726
-  94.195 103.068 115.942 -76.229
- 127.138-143.928 126.310 -79.077
-  94.851  83.952   0.000   0.000
- 131.221 -84.646 119.607-128.502
- 118.232-108.486 116.056-121.888
- 117.101-116.434 139.305-152.242
-  93.286  72.805  95.684 -96.416
- 118.450   0.000 122.151 -79.287
- #   7 total E   -1.27400E+02 rmsd from N    0.000 %NC  0.00
- 118.168-105.849 155.074-172.814
- 124.080-166.387 152.801-165.391
- 128.603-157.659 146.176  13.440
- 116.589 -58.858 158.285 163.063
-  90.626 -23.057  95.030 -66.425
-  92.160  99.794 160.639 -97.479
- 123.517-139.127 156.485-140.434
- 127.736-143.829 160.751 175.897
- 120.012 -68.474 162.019-151.255
- 127.295-164.133   0.000   0.000
- 134.531 -47.909   0.000   0.000
- 118.202-137.336 122.638-129.144
- 126.792-151.952 122.220 -80.701
- 126.688-169.095 150.817 -67.663
- 125.890 172.102   0.000   0.000
- 129.367 -95.762 111.388 -54.643
- 117.756-109.016 119.562-126.539
- 117.890-115.472 111.820-112.889
- 117.533-116.225 125.542-133.369
- 121.588   0.000 149.248-102.894
- #   8 total E   -1.22362E+02 rmsd from N    0.000 %NC  0.00
-  93.602  44.607 143.406-130.546
-  92.371 149.591 150.327-123.967
- 112.247  41.791 173.989 175.299
-  93.493  91.841 131.387 -91.119
-  91.225  -4.508 125.579-147.796
- 105.826 -82.030 170.950 167.045
- 118.273-164.351 156.698 -16.692
- 128.836-159.988 138.723 173.723
- 120.948-170.814 109.393 -75.489
- 126.021  14.931   0.000   0.000
- 128.658 -38.754   0.000   0.000
- 117.866-140.033 123.442-130.001
- 126.964-152.363 122.448 -80.761
- 126.673-168.653 150.657 -67.497
- 125.971 172.279   0.000   0.000
- 129.390 -95.776 111.995 -54.290
- 117.745-108.995 119.734-126.753
- 117.899-115.507 111.816-112.856
- 117.540-116.314 125.774-133.746
- 121.441   0.000 149.142-103.506
- #   9 total E   -1.18501E+02 rmsd from N    0.000 %NC  0.00
- 117.545-151.371 145.772 -30.644
- 121.196 173.289 162.116-143.438
- 131.293 -88.020 151.857   2.102
-  96.444 -19.302 113.281 -82.665
-  92.600  94.137 110.729 -88.956
- 102.256 -15.331 122.240 -38.405
-  91.114 -85.544 141.919 -89.380
- 126.690-164.691 121.483 128.085
- 123.272 -65.001 158.263 -15.952
- 127.988  -9.239   0.000   0.000
- 125.780 -33.409   0.000   0.000
- 116.879-142.658 125.008-132.784
- 128.468-163.115 147.001 -42.336
-  94.255  52.241 115.886 -76.209
- 136.456-148.124   0.000   0.000
- 129.075 -84.584 108.408 -56.062
- 117.797-108.990 131.200-144.448
- 117.917-115.734 110.495-111.319
- 117.525-116.290 127.055-135.964
- 121.743   0.000 121.529 -80.431
- #  10 total E   -1.17988E+02 rmsd from N    0.000 %NC  0.00
-  93.611  19.912 143.842-131.770
- 116.284-173.883 150.045 -12.981
- 129.378 -81.713 120.627 -91.303
-  93.981  66.745 164.209-116.360
-  91.999  62.198 118.167 -76.927
- 123.548 -85.498 137.238-141.759
- 121.391-160.921 158.475 -12.122
- 127.794-106.922 161.123-154.104
- 122.426 -77.899 110.104 -80.877
-  95.396 163.496   0.000   0.000
- 135.334 -59.585   0.000   0.000
- 116.789-136.829  96.593 -86.398
- 126.801-150.742 122.067 -80.285
- 126.739-167.785 149.866 -55.985
- 125.553 173.351   0.000   0.000
- 129.629 -89.143 139.318-163.941
- 118.001-108.074 117.672-124.359
- 117.982-130.280 112.269-113.667
- 118.029   9.431 123.838-130.013
-  93.382   0.000 115.847 -76.813
- #  11 total E   -1.17601E+02 rmsd from N    0.000 %NC  0.00
-  93.623 114.196 144.126-134.218
- 118.310-168.423 145.232 -20.448
- 128.684 -93.635 165.331 167.212
- 119.496 164.655 135.582 -83.199
-  91.915  70.778 111.416-103.236
- 123.559 150.308 103.122-125.190
-  92.474  82.432 145.660-131.815
- 127.027-111.099 123.618-118.183
- 122.405 -68.406 164.406-149.066
- 123.349-162.749   0.000   0.000
- 135.592 -49.846   0.000   0.000
- 127.122 -44.438 114.231-112.011
-  93.897  98.172 115.224 -76.449
- 123.453-102.170 119.264 -81.469
- 127.540-169.075   0.000   0.000
- 128.448 -79.712 118.903-137.971
- 117.971-107.704 121.510-129.870
- 116.895-130.208  98.011 -85.171
-  92.954  68.864 101.986-106.057
-  93.309   0.000 110.768 -76.019
- #  12 total E   -1.17599E+02 rmsd from N    0.000 %NC  0.00
-  93.581  15.886 138.542-111.440
- 117.408-169.926 134.810-131.144
- 130.313-105.679 107.719 -77.234
- 121.943 -87.661 154.483-146.692
- 121.250-173.646 152.052 -17.099
-  93.877  85.033 104.008-164.453
-  92.491 -41.461 154.685-119.267
- 112.080 152.144 126.338-125.694
-  93.827 -55.280 139.412-103.434
- 123.474 -59.803   0.000   0.000
-  95.431  14.627   0.000   0.000
- 121.669-138.489 121.024-124.383
- 126.229-141.891 150.173 -58.145
- 129.746 -75.932 123.123 -80.674
- 133.751 -26.913   0.000   0.000
- 131.053-108.748 135.841 -24.983
- 117.581-107.013 127.336-139.770
- 117.504-129.709 111.906-112.640
- 117.248-116.076 135.021-148.849
- 121.742   0.000 121.462 -80.452
- #  13 total E   -1.16502E+02 rmsd from N    0.000 %NC  0.00
-  93.659  48.205 146.905 -28.088
-  92.704 171.655 145.747-125.158
- 132.988 -92.765  96.871 -84.844
-  93.636  55.427 133.102 -97.076
- 120.479-174.880 124.585 -26.746
- 123.432 -46.493 117.987-104.878
-  93.157 -39.128 147.409 -33.430
-  93.497  96.984 135.280-125.310
- 125.740-115.139 161.116   1.846
- 120.099  12.574   0.000   0.000
- 118.719-167.723   0.000   0.000
-  92.932  65.852 101.200 -95.849
- 123.605 -78.454 145.567-116.609
- 126.594-170.879 122.063 -80.371
- 125.792 172.847   0.000   0.000
- 129.368 -94.110 119.896 -53.185
- 117.855-107.628 118.921-125.841
- 117.955-130.223 111.744-112.828
- 116.952 119.360 128.445-137.868
-  93.508   0.000 134.380-106.514
- #  14 total E   -1.16162E+02 rmsd from N    0.000 %NC  0.00
-  93.614  12.579 144.290-132.461
- 115.043 169.943 148.317 -18.568
- 115.778 114.464 115.733 -84.674
- 124.565-101.716 112.393 -67.994
-  91.761  68.905 110.653 -84.001
- 114.431 145.250 140.721  11.306
-  92.723 114.517 131.272-152.000
- 121.746 -67.022 139.315-159.095
-  94.898 -62.947 151.011 -16.776
- 134.672 -61.167   0.000   0.000
-  94.751  47.172   0.000   0.000
-  93.074  56.046  96.277 -97.056
-  93.602  40.339 110.325 -76.067
- 126.886 -90.468 142.408 -27.742
- 122.888 -12.516   0.000   0.000
- 125.078 -80.211  36.778 -82.613
- 117.731-111.323 115.455-120.968
- 117.800-114.554 130.006-136.390
- 119.960  14.471 114.607-115.584
-  93.361   0.000 114.938 -77.097
- #  15 total E   -1.15469E+02 rmsd from N    0.000 %NC  0.00
- 113.747 -40.423 151.567-148.957
-  92.297 110.313 151.409-134.543
- 113.640  29.651 156.602   2.528
-  93.537  84.412 128.983 -74.556
-  91.889  43.309 118.655-127.258
- 120.997-113.430 101.566-117.022
- 123.207 -92.324 157.900-133.423
- 125.554-159.358 136.340-138.731
- 121.395-174.345 151.180 -17.935
- 135.485 -71.180   0.000   0.000
- 121.654 -26.002   0.000   0.000
- 110.800 -63.616 125.366-136.770
-  93.235  75.823 115.384 -76.504
- 123.773 -88.234 119.765 -80.379
- 127.779 -24.720   0.000   0.000
- 126.574 -81.045 112.128 -59.057
- 117.761-108.055 120.194-127.680
- 117.898-132.268 111.838-112.917
- 117.093   8.761 128.581-138.149
-  93.388   0.000 115.842 -76.838
- #  16 total E   -1.14920E+02 rmsd from N    0.000 %NC  0.00
-  93.617  20.875 144.109-129.749
- 116.666-172.023 158.697-142.252
- 130.824 -92.112 163.784 163.660
- 123.040-149.405 139.256 -86.055
- 126.242 -98.755 155.379-159.174
-  92.877  54.349 132.080 -13.202
-  91.907  66.166 142.189-110.174
-  92.369  80.613 135.780-126.521
-  93.374  29.261 148.799 -27.232
- 124.604-167.347   0.000   0.000
- 135.646 -69.387   0.000   0.000
- 122.428 108.668 121.188-124.064
- 127.203-100.148 121.322 -80.570
- 126.922-156.403 150.625 -65.198
- 134.426-105.637   0.000   0.000
- 127.150 -90.130 107.958 -56.719
- 117.710-109.360 119.778-126.809
- 117.892-115.138 111.839-112.873
- 117.532-116.237 126.082-134.206
- 121.460   0.000 148.893-104.850
- #  17 total E   -1.14725E+02 rmsd from N    0.000 %NC  0.00
-  93.640  46.932 109.894 -81.451
-  92.450 159.769 142.910 -24.833
-  92.909  75.568 126.587-111.570
-  92.475  60.456 138.242-105.252
-  91.296  64.314  97.550 -54.709
-  92.856  90.480 125.269  90.457
-  91.883 122.724 144.699-144.216
- 116.709 -65.648 143.164-107.522
- 112.671 -55.275 106.539 -81.712
- 126.121  -4.789   0.000   0.000
-  95.300 168.256   0.000   0.000
- 119.009-146.769 123.600-129.944
- 125.507-164.200 122.786 -80.793
- 127.826 -67.245 122.689 -81.242
- 124.742  72.886   0.000   0.000
- 127.677 -81.368 141.829-164.717
- 117.970-110.029 117.445-124.095
- 117.888-114.377 113.070-114.670
- 117.591-116.223 123.305-129.790
- 121.482   0.000 148.613-106.222
- #  18 total E   -1.12542E+02 rmsd from N    0.000 %NC  0.00
- 117.965-136.797 152.687-149.663
- 122.272 -55.969 154.357 -18.051
- 109.480  71.311 158.981 123.840
-  93.505  81.839 139.340 -91.377
-  91.976 -29.638 102.250-101.690
- 120.781-151.026 175.114 156.898
- 123.558 -76.646 165.175-174.589
-  93.157  82.242 136.696-134.029
- 115.936 -90.042 111.339 -81.789
- 119.471-175.234   0.000   0.000
- 133.741 -43.245   0.000   0.000
- 117.806 -61.345 109.077-111.382
-  93.627  80.175 115.208 -76.207
- 119.165-170.401 121.997 -80.221
- 127.923 179.530   0.000   0.000
- 128.130-100.039  93.199 -66.424
- 117.952-108.206 118.789-125.692
- 118.085-132.279 113.475-114.590
- 117.217-116.008 124.184-130.564
- 121.825   0.000 121.423 -80.659
- #  19 total E   -1.11142E+02 rmsd from N    0.000 %NC  0.00
-  93.605  34.636 142.607-140.568
-  92.589 133.457 149.414-109.752
- 129.451 -93.078 129.233-125.301
- 124.207-146.720 144.852 -84.011
-  92.238  -9.090 138.732-158.926
- 131.697  81.649 153.571-177.685
- 133.277-130.160 164.718  -4.994
- 124.309-157.993 132.766-143.454
- 122.261 -78.500 151.873 -14.266
- 125.107  -2.568   0.000   0.000
- 116.765 -10.319   0.000   0.000
-  93.190  98.343 129.335-151.842
-  93.146 117.125 126.426-105.952
-  93.847 130.557 115.310 -77.491
- 117.316 164.451   0.000   0.000
- 131.441-112.161 127.854 -45.528
- 117.576-106.485 130.480-142.322
- 117.897-134.739 110.832-111.117
- 116.746   7.828 129.515-140.077
-  93.408   0.000 137.521-104.192
- #  20 total E   -1.09765E+02 rmsd from N    0.000 %NC  0.00
-  93.635  46.417 109.558 -81.287
-  92.692 160.622 148.265-123.649
- 122.056 163.031 113.893 -85.408
- 110.675 105.767 139.617 -86.503
-  91.989  38.750 108.732-101.197
- 122.762 -89.213 101.098-112.451
- 123.090-163.662 159.031-155.688
- 124.771-166.765 138.109-125.211
- 121.134 -74.763 151.679 -18.935
- 130.404 -66.268   0.000   0.000
- 126.272 -30.405   0.000   0.000
- 117.836-139.106 123.483-130.062
- 126.896-144.030 122.220 -80.701
- 127.101-103.831 122.286 -80.185
- 125.205-174.299   0.000   0.000
- 129.127 -87.483 118.561 -55.440
- 117.819-107.668 118.927-125.728
- 117.955-135.690 111.806-112.929
- 117.068 129.552 128.675-138.291
- 119.434   0.000 144.975-102.061
- #  21 total E   -1.09350E+02 rmsd from N    0.000 %NC  0.00
- 118.044-142.919 148.870 -21.154
- 120.152-177.396 164.020 -14.831
-  93.885  71.998 172.883-174.322
-  92.918  85.002 136.126-101.795
-  91.585  43.380 105.086 -93.563
- 118.549-137.438 140.592  29.737
- 122.750 -87.221 161.749 -11.078
- 124.967-160.074 139.912-129.657
- 121.130 -70.583 152.183 -19.186
- 124.108-167.320   0.000   0.000
- 134.893 -76.472   0.000   0.000
- 117.113  24.380 124.356-131.645
- 123.189-110.091 148.832 -79.126
- 126.890 -99.511 122.085 -80.214
- 124.545-173.166   0.000   0.000
- 129.069 -86.757 116.497 -56.488
- 117.817-107.802 118.873-125.692
- 117.926-132.491 111.814-113.002
- 117.150   8.641 128.272-137.599
-  93.386   0.000 115.826 -76.786
- #  22 total E   -1.09291E+02 rmsd from N    0.000 %NC  0.00
-  93.620  20.365 143.929-128.391
- 117.934 -85.465 154.494-142.570
- 125.409-164.238 115.139 -75.201
- 124.729 -70.649 159.776-124.868
- 127.454-131.521 140.954 -18.053
- 106.862 163.189 105.948 160.303
-  92.302  69.623 153.064-122.624
-  93.609  87.737 134.813-112.809
-  92.625 -92.691  96.113 -87.067
-  94.228  22.877   0.000   0.000
- 125.451 -55.457   0.000   0.000
- 114.768-167.784 124.434-133.208
- 127.408-154.741 143.448 -53.907
- 120.509 -77.257 137.938 -32.478
- 120.918 -16.096   0.000   0.000
- 122.550 -90.658 120.516 -45.983
- 113.829  43.015 123.043-133.985
- 116.488 142.913 115.472-121.000
-  93.141  36.534 109.135-118.808
-  93.325   0.000 115.080 -77.276
- #  23 total E   -1.09122E+02 rmsd from N    0.000 %NC  0.00
-  93.615 112.645 143.544-132.620
- 120.415 -53.554 156.613-136.699
- 107.646  73.375 107.693 -75.172
-  93.080  80.561 134.078-106.628
-  91.570  26.348 105.322-101.551
- 115.852 -79.577 136.592  35.772
- 124.734-152.614 153.895 -84.671
- 120.587 -69.908 128.133-101.265
- 119.020 179.048 110.959 -82.097
- 136.553 -64.355   0.000   0.000
- 111.337  -5.441   0.000   0.000
- 114.101-135.122 126.190-136.156
- 133.745-156.687 156.309 -77.085
- 116.206 -56.099 119.316 -78.725
- 123.811 -22.911   0.000   0.000
- 127.964 -89.074 117.635 -46.741
- 117.887-107.201 121.847-128.628
- 117.907-136.886 108.284-108.319
- 119.222 130.245 122.700-128.541
- 119.722   0.000 119.355 -80.622
- #  24 total E   -1.08817E+02 rmsd from N    0.000 %NC  0.00
-  93.629 104.675 110.219 -82.642
- 113.456 163.657 147.544-134.326
- 121.066  43.803 119.700 -82.705
- 118.131 -86.485 164.905-112.732
- 123.139 160.220 140.709 106.255
-  93.471  80.032  86.467-137.429
- 120.122 -60.800 136.300-100.613
- 123.569-143.143 121.321-114.493
- 124.510-174.841 157.523-123.585
- 118.803  11.615   0.000   0.000
- 115.467 -37.606   0.000   0.000
- 112.487 -75.157 124.618-134.625
-  92.943  78.202 115.723 -76.335
-  94.779  57.914 114.476 -77.214
-  95.965 150.377   0.000   0.000
- 126.543-108.629 138.005  26.054
- 118.349-106.984 129.912-140.475
- 118.695-131.903 110.782-110.967
- 118.301 127.834 121.832-125.801
- 119.495   0.000 144.071-117.623
- #  25 total E   -1.08773E+02 rmsd from N    0.000 %NC  0.00
- 117.820-147.434 156.355-131.619
- 114.630  10.321 154.952-140.726
- 109.160  72.865 172.012 176.079
-  93.312  80.278 125.880 -79.190
-  91.834  39.887 109.615-122.955
- 118.308-131.763  94.365 -68.270
- 121.043 -92.135 154.075-144.903
- 127.164-161.082 141.268 160.129
- 122.202 -70.880 106.511 -76.550
-  95.001  79.460   0.000   0.000
- 133.204 -53.423   0.000   0.000
- 118.986 -71.923 116.156-119.082
-  93.817  87.549 121.983 -16.703
- 120.657 -80.438 118.630 -81.732
- 126.737 -22.809   0.000   0.000
- 125.378 -85.323 118.684 -51.405
- 117.712-107.739 125.651-135.636
- 117.929-135.974 111.498-112.065
- 116.902 129.456 129.448-139.710
- 119.412   0.000 144.964-101.735
- #  26 total E   -1.08484E+02 rmsd from N    0.000 %NC  0.00
-  93.655  11.113 147.820 -31.296
- 120.558-105.158 152.117-128.269
- 120.421 155.479 165.440-179.443
-  94.176  59.423 146.110 -92.805
- 126.756-103.695 141.358-125.412
- 122.672-155.071 132.870 -12.681
- 119.896 -77.801 157.707-176.546
- 124.709-158.528 116.164 117.923
- 120.235 -70.989 151.106-142.133
- 124.422-168.148   0.000   0.000
- 132.821 -87.215   0.000   0.000
- 125.191  19.669 106.547-103.031
-  92.346 -52.904 115.734 -80.495
-  91.459  -8.077 115.134 -76.137
- 120.585 -22.662   0.000   0.000
- 121.348 -76.478 134.219 -55.062
- 117.830-110.969 114.924-120.373
- 117.777-113.447 117.921-121.918
- 117.636-116.180 122.043-127.191
- 121.474   0.000 148.449-106.193
- #  27 total E   -1.08470E+02 rmsd from N    0.000 %NC  0.00
-  93.690  87.268 144.955 -12.540
-  92.582 134.942 152.352-134.529
- 129.016 -80.861 148.142  -6.424
- 109.045 -41.277 167.684-140.181
- 118.924-167.216 146.913-139.381
- 123.005 179.819 123.545-142.040
- 109.186  84.687 148.372 -32.425
-  93.252 102.943 136.570-137.801
- 117.635-107.209 151.319 -20.657
- 131.643 -67.626   0.000   0.000
- 126.719 -29.010   0.000   0.000
- 116.135-138.779  96.663 -85.876
- 126.834-146.641 150.883 -76.862
- 126.464-151.547 151.130 -72.445
- 134.650-105.914   0.000   0.000
- 127.366 -85.990 145.768  74.235
- 117.969-110.071 117.505-124.492
- 117.895-114.004 112.911-114.444
- 117.591-116.272 123.452-130.075
- 121.733   0.000 121.534 -80.525
- #  28 total E   -1.08111E+02 rmsd from N    0.000 %NC  0.00
-  93.617  47.591 144.373-131.790
-  92.135  86.421 150.573-132.530
-  93.002  65.620 133.294-110.826
-  92.597  81.981 127.269-106.108
-  91.125   7.961 110.542 -89.180
- 106.400 -85.462 173.770 158.386
- 122.971-161.822 162.239-159.277
- 124.208-167.540 103.246 -94.430
- 121.270 -74.498 111.484 -81.505
- 130.385 -66.415   0.000   0.000
- 126.147 -30.442   0.000   0.000
- 117.857-139.612 123.492-130.066
- 127.004-152.370 122.545 -79.833
- 125.707 -76.174 121.150 -79.923
- 126.923  -7.011   0.000   0.000
-  93.852 152.186 145.271 121.194
-  93.174 125.040 102.637-124.954
- 122.095-176.827 115.175-117.243
- 119.704 -15.277 125.603-132.320
- 119.367   0.000 120.598 -79.964
- #  29 total E   -1.07627E+02 rmsd from N    0.000 %NC  0.00
-  93.655  20.068 147.336 -29.162
- 116.092-172.471 150.519 -23.890
- 130.570 -94.750 100.880 -88.147
- 121.786-175.265 164.477-113.042
- 113.188  95.470 158.135 168.455
- 128.984 -92.646  96.885 -93.513
- 123.617-164.641 150.995-162.299
- 124.628-167.200 163.548 161.127
- 121.162 -69.256 111.354 -81.436
- 124.075-164.916   0.000   0.000
- 134.399 -49.849   0.000   0.000
- 118.143-137.466 123.692-130.124
- 126.773-158.006 150.944 -91.287
- 124.220 -72.800 121.306 -79.747
- 125.827 -24.471   0.000   0.000
- 126.758 -79.214 143.070-171.227
- 117.939-110.336 117.448-124.127
- 117.878-114.044 113.097-114.726
- 117.590-116.159 123.288-129.754
- 121.499   0.000 148.622-106.172
- #  30 total E   -1.06282E+02 rmsd from N    0.000 %NC  0.00
-  93.580   3.254 135.388-132.322
- 111.097 156.336 121.176 -56.047
- 115.353  36.476 164.460 177.161
-  93.483  88.102 123.379 -71.184
-  92.251  57.507 127.706-148.662
- 124.663 -78.590 111.147-106.534
- 117.698 -22.166 158.747 -16.359
- 122.148-106.790 148.007-129.841
- 122.608-175.782 111.271 -82.283
- 137.351 -57.523   0.000   0.000
-  94.556  53.863   0.000   0.000
-  92.299  71.343 101.202-109.790
-  92.641 114.710 114.069 -79.631
- 110.948 -55.647 116.158 -80.471
-  94.498  68.349   0.000   0.000
- 122.373 -97.706  92.179 -64.427
- 126.095-170.238 118.348-119.914
-  92.529  49.211 101.626-104.071
- 115.572-107.982 111.121-112.748
-  94.568   0.000 116.329 -77.134
- #  31 total E   -1.06202E+02 rmsd from N    0.000 %NC  0.00
- 118.096-149.345 107.037 -78.996
- 119.390-179.380 153.618 -27.021
- 133.816-123.264 112.666-117.022
- 127.671 -93.045 162.611-116.250
-  92.409  60.142 112.958 -70.992
- 138.826 -89.570 110.696-112.706
-  92.368  95.597 152.438 -35.394
-  92.991  18.451 129.816 -76.833
-  94.350-124.163 139.382-127.562
-  95.156  61.681   0.000   0.000
- 142.580 -79.648   0.000   0.000
- 134.104 153.498 121.508-114.328
-  93.675  84.439 141.355-129.750
- 120.965 -90.101 156.944-105.884
-  94.695 159.281   0.000   0.000
- 129.773-119.649 139.147-137.272
-  93.031 100.153 101.178-119.738
- 124.047-111.312 105.136-101.724
- 117.763-122.925 124.814-132.995
- 121.604   0.000 157.726-141.819
- #  32 total E   -1.05684E+02 rmsd from N    0.000 %NC  0.00
-  93.680 118.094 147.326 -24.567
- 118.744-167.079 158.986-138.624
- 130.772 -91.996 159.014 172.613
- 123.192-154.964 165.534-143.269
- 126.774-152.194 131.893 -21.347
- 126.591 -80.716  98.120 -79.293
- 122.724-155.498 162.883 -12.931
- 127.114 -92.869 144.899-178.712
- 121.700-171.796 151.034 -19.405
- 124.704 168.886   0.000   0.000
- 136.889 -68.029   0.000   0.000
-  93.097  62.931 101.578-101.703
-  93.544 106.287 134.159-114.382
- 121.994-107.634 139.977-129.960
- 123.425-176.120   0.000   0.000
- 129.064 -87.785 116.711 -56.207
- 117.832-107.772 118.890-125.703
- 117.943-132.279 111.826-112.974
- 117.108   8.736 128.007-137.208
-  93.408   0.000 137.062-103.338
- #  33 total E   -1.05252E+02 rmsd from N    0.000 %NC  0.00
- 118.434-134.797 111.293 -81.629
- 119.384 176.852 154.456 -26.004
-  93.733  75.711 107.245 -74.172
-  92.958  87.570 139.088 -98.286
-  91.087   3.642 107.335 -89.465
- 106.109 -82.904 156.582  16.934
- 120.664-164.091 152.009-125.684
- 127.185-163.065 141.628 168.998
- 121.380-173.849 146.992 -22.517
- 124.817 171.223   0.000   0.000
- 135.570 -60.477   0.000   0.000
- 118.067-136.961 123.175-129.511
- 126.973-156.815 122.262 -80.746
- 124.461 -72.690 121.406 -79.658
- 125.508 -22.949   0.000   0.000
- 125.774 -85.899 144.009-175.079
- 119.597 133.434 120.397-127.924
- 110.902-172.562 100.454 -94.311
- 118.416-116.455 124.232-132.702
- 121.468   0.000 148.249-105.112
- #  34 total E   -1.04962E+02 rmsd from N    0.000 %NC  0.00
- 118.338-140.008 110.617 -80.521
- 123.425 -90.665 153.023-127.948
- 121.738 177.074 169.052 166.273
-  92.840  64.589 140.838-103.995
-  91.339  61.198  96.145 -65.315
-  92.468  85.820 127.599 110.778
-  91.793  15.912 146.650-119.174
- 105.030 -91.768 131.989-131.434
- 122.664-175.191 112.914 -78.482
- 134.432 -74.491   0.000   0.000
- 124.100-164.400   0.000   0.000
- 118.862 155.698 129.176-138.613
-  94.181  96.034 115.000 -76.718
- 125.631 171.182 149.428 -75.075
- 122.384  38.734   0.000   0.000
- 127.026 -82.393 142.966-169.892
- 118.009-109.366 117.496-124.155
- 117.898-119.483 112.952-114.542
- 117.858  13.092 123.110-129.128
-  93.372   0.000 115.419 -76.984
- #  35 total E   -1.04304E+02 rmsd from N    0.000 %NC  0.00
-  93.656  15.897 147.419 -30.164
- 117.256-179.198 158.735-145.907
- 123.919 176.039 155.970   1.836
- 124.117-164.570 140.195 -75.694
- 121.962-165.035 132.179 -19.425
- 127.199-158.780 159.375 171.480
- 122.388 -82.313 176.437-156.441
- 125.072-159.844 127.311-114.863
- 120.529 -68.768 160.166-153.310
- 124.454-164.014   0.000   0.000
- 134.348 -45.101   0.000   0.000
- 118.286-144.485 121.046-125.798
-  94.042  96.259 115.744 -77.065
- 126.375-108.156 119.450 -80.741
- 123.071-177.056   0.000   0.000
- 129.531 -83.950 138.738-165.150
- 117.968-109.963 117.318-123.830
- 117.892-114.483 112.952-114.581
- 117.597-116.206 123.308-129.836
- 121.713   0.000 121.438 -80.614
- #  36 total E   -1.04208E+02 rmsd from N    0.000 %NC  0.00
- 117.523-142.875 152.613-148.565
- 122.670-167.891 160.661-143.809
- 130.995 -91.218 163.430 164.487
- 122.020-173.108 140.586 -87.328
-  91.974  71.070 129.812-126.188
- 122.560 159.188 144.546  84.869
- 113.533 115.348 149.482-150.208
- 125.856-105.240 138.300-106.394
- 121.090 -71.241 159.055-152.537
- 124.877-165.479   0.000   0.000
- 134.505 -49.731   0.000   0.000
- 118.140-137.222 123.618-129.997
- 126.651-151.376 150.714 -93.955
- 126.712-168.019 149.675 -54.110
- 125.604 173.556   0.000   0.000
- 129.585 -88.007 139.796-166.633
- 117.999-109.798 117.403-123.936
- 117.909-114.423 113.020-114.629
- 117.602-116.302 123.269-129.789
- 121.731   0.000 121.554 -80.574
- #  37 total E   -1.03963E+02 rmsd from N    0.000 %NC  0.00
- 118.059-141.105 149.540 -21.139
- 119.452 178.928 155.071 -24.812
-  93.724  72.065 134.203-111.421
-  92.988  85.313 134.878-111.905
-  91.615  46.317 108.661 -85.335
- 118.916-146.042 136.534  22.308
- 120.769 -80.116 161.622 -13.492
- 123.921-157.785 132.063-108.789
- 120.683-175.270 158.199-150.926
- 135.487 -69.740   0.000   0.000
- 127.632 -30.828   0.000   0.000
- 117.978-138.259 123.785-130.319
- 126.881-146.251 150.907 -92.496
- 126.411-152.566 150.689 -67.944
- 135.004 -98.090   0.000   0.000
- 126.887-104.425 125.951 -50.640
- 120.059 132.941 118.638-125.052
- 122.421-109.386 116.696-118.101
- 117.955-116.327 122.413-128.260
- 121.462   0.000 148.528-106.404
- #  38 total E   -1.03767E+02 rmsd from N    0.000 %NC  0.00
-  93.640   9.281 106.262 -80.639
- 117.900 177.621 157.601-107.178
- 118.716 162.423 140.745  29.452
- 103.788 -49.016 119.510-121.472
-  91.232  -3.039 119.816  42.241
- 124.024-105.541 160.158 163.711
- 126.984 -85.782 164.162   0.416
- 124.355-154.705 148.439-129.016
-  94.116  77.627 148.850 -23.433
- 135.978 -69.144   0.000   0.000
- 131.090 -47.989   0.000   0.000
- 121.817 112.832 120.915-123.990
- 129.266-102.712 151.403 -75.115
- 125.200-171.248 122.182 -79.316
-  95.124  81.706   0.000   0.000
- 127.563 -81.432 142.921 155.086
- 118.071-110.030 117.939-124.987
- 117.900-114.430 113.052-114.611
- 117.575-116.245 123.310-129.842
- 121.472   0.000 148.644-104.885
- #  39 total E   -1.03651E+02 rmsd from N    0.000 %NC  0.00
-  93.626 100.956 110.055 -82.520
- 117.694 177.605 158.688-152.568
- 123.040 162.350 152.570   2.905
- 118.842 114.465 142.508 -99.818
- 124.608-112.028 127.151-107.142
- 124.762 -87.196 140.545-143.321
- 122.854-155.643 159.123 -11.351
- 127.209 -92.052 138.643 156.447
- 121.409-171.838 159.848-152.442
- 124.943 171.669   0.000   0.000
- 135.593 -59.882   0.000   0.000
- 118.071-137.052 123.242-129.565
- 127.009-157.088 122.238 -80.659
- 124.281 -72.977 121.384 -79.698
- 125.899 -24.461   0.000   0.000
- 126.772 -79.257 142.805-166.577
- 117.939-110.339 117.399-124.068
- 117.879-114.061 113.100-114.732
- 117.588-116.275 123.269-129.739
- 121.455   0.000 148.556-105.917
- #  40 total E   -1.03509E+02 rmsd from N    0.000 %NC  0.00
- 117.365-147.698 152.836-150.223
- 123.450 -92.964 152.318-139.084
- 123.457 175.334 151.254   8.005
- 117.815 106.149 162.724-140.216
- 125.109 -97.133 131.974 -89.213
- 122.090-155.154 146.503 -18.593
- 118.154 -67.546 160.673 -17.133
- 117.975-166.861 130.308 142.844
-  94.007 111.989 138.918-139.485
- 129.370 -84.890   0.000   0.000
-  95.253  23.816   0.000   0.000
-  93.641  53.442 130.113-152.972
-  93.384 -54.017 126.629-101.374
- 123.155 -72.677 122.428 -79.341
- 123.900  68.869   0.000   0.000
- 132.275 -83.043  95.696 -61.894
- 117.632-107.628 119.525-125.927
- 118.146-113.810 113.876-115.609
- 117.718-116.174 118.775-125.084
- 121.487   0.000 148.266-107.432
- #  41 total E   -1.03388E+02 rmsd from N    0.000 %NC  0.00
- 118.723-118.551 110.144 -78.044
- 122.607 -83.462 158.908-143.802
- 126.733-164.680 110.005 -83.413
- 121.975-153.651 135.388 -89.634
- 124.492 -62.306 144.800-129.136
-  93.709 152.723 137.734 -10.731
- 117.911 164.573 135.169-136.392
- 112.476 103.666 131.937 -98.831
-  93.674 114.308 143.221-126.934
-  95.308  94.870   0.000   0.000
- 133.440 -62.068   0.000   0.000
-  93.072  71.516 102.026-106.641
-  93.352 129.099 134.161-155.215
- 114.440 -68.696 118.776 -80.698
-  94.850  61.308   0.000   0.000
- 126.417 -91.538 135.773 -46.044
- 121.104-159.660 118.096-123.499
-  92.988 111.130 104.043-108.418
-  93.016  29.437  98.761-102.438
-  93.342   0.000 114.460 -77.417
- #  42 total E   -1.03002E+02 rmsd from N    0.000 %NC  0.00
-  93.646  47.630 147.804 -28.022
-  92.614  79.927 144.641 -35.815
- 120.288 137.194 153.563   4.723
- 114.686 -75.759 131.630 -89.179
- 105.120 -34.753 141.898 166.364
- 107.722  92.231  96.175 -83.837
-  92.638  40.085 147.522-116.387
- 123.535-103.348 150.915-124.204
- 120.416-171.074 158.336-148.952
- 136.155 -73.965   0.000   0.000
- 130.603 -44.227   0.000   0.000
- 117.860 -66.646 119.680-124.515
-  93.402  87.545 115.359 -76.552
-  94.073 138.252 114.064 -77.428
- 123.589 176.797   0.000   0.000
- 129.874 -82.838 142.691 178.995
- 118.310-109.604 115.800-121.880
- 117.992-133.667 112.811-114.829
- 117.074   0.495 125.378-132.721
- 118.813   0.000 147.130 -96.226
- #  43 total E   -1.02902E+02 rmsd from N    0.000 %NC  0.00
-  93.674 119.051 147.586 -28.065
- 120.353 -91.126 151.748-132.749
- 126.989-171.333 162.379 173.046
- 124.283-164.125 160.389 -46.484
- 123.047-157.178 132.528 -16.567
- 129.416 -75.131 147.970 124.225
- 123.219-155.124 145.740-123.940
- 126.468-154.467 145.346-165.229
- 123.943-166.739 111.125 -77.011
- 124.577  19.033   0.000   0.000
- 124.639 -42.834   0.000   0.000
- 115.423 110.175 125.940-135.036
- 125.461 -86.960 148.601 -79.769
- 121.274-168.617 120.982 -78.160
- 132.267 179.379   0.000   0.000
- 126.539 -82.069 133.283-155.212
- 117.909-113.321 115.634-121.049
- 118.098-113.802 118.921-121.504
- 117.471-116.273 122.304-127.710
- 121.637   0.000 122.053 -79.801
- #  44 total E   -1.02507E+02 rmsd from N    0.000 %NC  0.00
- 117.552-142.029 152.803-148.075
- 122.704-169.889 163.526-150.529
- 130.915 -94.299 158.407 157.068
- 121.938 -52.515 166.096-155.610
- 120.020-150.319 150.893 161.776
- 128.334 -66.003 125.229 147.959
-  93.168 -22.180 142.810 -39.403
-  93.958 101.491 135.316-128.276
- 125.182 179.708 149.354 -27.152
- 134.082 -70.919   0.000   0.000
- 128.891 -32.834   0.000   0.000
- 117.905-138.216 125.489-133.450
- 127.081-146.868 122.368 -80.758
- 126.593-151.652 122.259 -80.009
- 134.558-106.349   0.000   0.000
- 127.347 -85.964 146.268  71.655
- 117.965-110.073 117.560-124.414
- 117.905-114.008 112.920-114.443
- 117.595-116.232 123.402-129.988
- 121.806   0.000 121.504 -80.597
- #  45 total E   -1.02386E+02 rmsd from N    0.000 %NC  0.00
-  93.616  46.582 144.238-132.758
-  92.512 154.060 140.974 -21.538
-  93.887  72.238 130.664-107.403
- 115.692 163.888 126.555 -65.733
- 103.476  78.911 127.831-144.875
- 124.996 -83.258 104.472-139.335
- 122.688-162.408 158.273  -4.646
- 116.402 -52.186 124.227 -78.967
-  92.402  -6.752 141.759-123.390
- 120.845 -21.881   0.000   0.000
- 129.692 -63.870   0.000   0.000
- 117.568 -79.649 131.921-142.731
-  93.755  78.736 113.636 -75.935
- 125.145-124.486 120.018 -80.052
-  95.374  92.192   0.000   0.000
- 129.988 -80.534 131.390 -61.620
- 118.847-141.854 112.775-116.061
- 116.392 136.584 120.522-125.404
- 119.129-116.920 121.786-128.903
- 121.510   0.000 148.647-105.626
- #  46 total E   -1.01291E+02 rmsd from N    0.000 %NC  0.00
- 117.786-133.906 152.873-150.381
- 121.361 174.984 153.432 -13.096
- 117.394 113.565 170.258 161.008
- 125.498 -93.633 132.944 -85.996
- 124.082-152.239 129.185 -12.448
- 125.428-155.495 132.825 138.260
- 121.253 -71.873 170.685-151.430
- 121.866-159.446 131.800-129.849
- 123.721 -74.751 151.891 -18.435
-  95.470  80.602   0.000   0.000
- 136.525 -76.198   0.000   0.000
- 125.948  28.380 117.584-116.994
- 132.865-129.021 123.325 -81.396
- 126.328-134.119 149.654 -62.125
- 132.021-110.728   0.000   0.000
- 129.628 -86.177 147.162  72.923
- 117.897-111.356 116.351-122.614
- 118.137-113.550 116.266-119.409
- 117.586-116.030 121.119-126.154
- 121.437   0.000 148.078-105.552
- #  47 total E   -1.00863E+02 rmsd from N    0.000 %NC  0.00
- 118.184-102.455 153.861  -5.727
- 118.320 178.474 144.005-152.495
- 136.490-174.858 119.585 -78.116
- 112.758 -63.257 164.178 171.172
-  90.685 -24.039 107.223 -91.150
-  92.293 106.886 149.800 -25.331
-  93.629-176.350 137.813-159.101
- 119.296-148.378 130.655 144.720
- 125.569 -89.372 159.928-160.973
- 135.929 -67.884   0.000   0.000
- 123.597 -26.168   0.000   0.000
- 117.853-139.611 122.458-128.351
- 126.608-152.047 148.341-125.685
- 126.878-167.642 122.294 -80.174
- 126.564 176.078   0.000   0.000
- 129.088 -77.280 143.081 -50.776
- 118.258-145.278 113.046-116.853
- 114.812  12.288 124.066-131.454
-  93.128  61.851 100.329-107.600
-  93.326   0.000 112.951 -76.697
- #  48 total E   -1.00742E+02 rmsd from N    0.000 %NC  0.00
- 118.374-138.595 110.309 -80.500
- 122.246-171.174 153.371-127.739
- 130.673 -94.214 101.865 -92.125
- 121.995-149.192 141.017 -80.934
- 131.073 -92.540 141.745-125.569
- 123.600 -78.044 148.746  13.704
-  92.785 -16.880 138.574-119.312
-  93.221 102.835 135.550-112.689
-  91.949 -28.281 142.943 -44.710
- 103.831 -50.297   0.000   0.000
- 123.323 -18.395   0.000   0.000
- 132.102 119.817 113.143-107.825
- 130.760 -86.835 126.276 -80.836
- 127.506-168.830 151.153 -71.857
- 135.589 -81.348   0.000   0.000
-  93.195  88.308 110.707  27.845
- 123.640-164.716 107.587-108.582
- 118.444 135.219 119.172-124.175
-  93.181   4.801  99.917-104.176
- 118.846   0.000 119.703 -80.021
- #  49 total E   -9.97550E+01 rmsd from N    0.000 %NC  0.00
-  93.656  22.895 110.837 -81.904
- 115.731-173.086 150.590-121.596
- 130.708 -93.883 101.045 -91.330
- 121.672-174.180 134.093 -71.777
- 106.041  65.216 139.176-161.227
- 121.722-175.266 137.768   5.937
- 121.821-160.653 154.293-175.487
- 126.659 -89.405 143.836-143.591
- 121.767-171.627 151.442 -18.817
- 124.831 171.520   0.000   0.000
- 135.579 -59.906   0.000   0.000
- 118.047-136.719 123.330-129.713
- 126.863-150.714 122.163 -80.704
- 126.695-167.831 149.786 -54.314
- 125.552 173.271   0.000   0.000
- 129.597 -89.498 139.982-169.940
- 118.049-107.780 116.150-121.882
- 117.777-134.908 118.450-122.493
- 111.459  -0.121  98.162 -91.527
- 118.934   0.000 120.167 -79.971
- #  50 total E   -9.95120E+01 rmsd from N    0.000 %NC  0.00
- 118.770-115.786 109.873 -77.200
- 122.250 -82.452 158.858-143.018
- 126.163-163.152 114.667 -79.098
- 121.721-157.743 135.604 -92.762
- 128.722-143.172 121.577 -43.980
- 124.359 -67.164 132.822 141.942
- 120.723-162.451 155.615-115.218
- 126.447-164.057 141.330 156.256
- 121.237 -69.268 150.280 -20.679
- 119.384  62.833   0.000   0.000
-  95.138  42.200   0.000   0.000
- 118.968-139.142 119.843-124.303
- 125.974-150.184 121.915 -80.746
- 126.259-172.363 122.344 -78.801
-  95.213  92.288   0.000   0.000
- 128.352 -77.648 152.037 -46.240
- 118.672-110.751 106.404-109.002
- 118.502-122.371 113.471-115.846
- 117.652-110.648 118.271-123.778
-  94.603   0.000 116.200 -77.445
- #  51 total E   -9.93042E+01 rmsd from N    0.000 %NC  0.00
-  93.660 113.520 147.425 -29.290
- 118.557-168.881 157.885-147.666
- 129.998 -87.729 151.047   2.311
- 123.468-158.948 127.412 -67.703
- 120.202-176.314 131.650  40.974
-  93.523  91.828 138.624-129.143
-  92.486  65.588 144.037 -38.108
- 117.155-175.604 120.853-128.478
- 120.199-176.453 151.788 -18.458
- 135.421 -69.594   0.000   0.000
- 127.442 -30.304   0.000   0.000
- 117.977-138.252 123.773-130.323
- 126.714-143.148 150.873 -91.989
- 126.906-104.979 145.932 -67.376
- 124.268-173.620   0.000   0.000
- 129.212 -76.961 134.301 162.180
- 118.280-142.500 113.876-118.138
- 117.824 132.751 117.526-120.567
- 119.045 -29.695 121.291-128.488
- 119.612   0.000 147.857 -96.839
- #  52 total E   -9.91514E+01 rmsd from N    0.000 %NC  0.00
- 117.630-140.407 152.841-150.855
- 123.293 -84.770 159.003-145.061
- 127.350-164.499 110.832 -89.254
- 122.526-150.533 134.417 -80.073
- 123.425 -80.917 148.362-154.750
- 123.336-152.231 104.021 -65.547
- 122.909 -87.389 149.478-137.888
- 125.744-157.450 142.246 147.337
- 121.582-170.277 111.903 -81.165
- 125.972  14.862   0.000   0.000
- 128.553 -38.949   0.000   0.000
- 117.889-140.426 123.834-130.429
- 126.896-159.298 151.091 -94.912
- 124.336 -72.560 121.390 -79.784
- 125.699 -23.582   0.000   0.000
- 126.406 -81.937 114.936 -57.575
- 117.751-107.842 118.962-125.742
- 117.893-135.750 111.916-113.133
- 116.735 129.243 129.412-139.661
- 119.661   0.000 120.037 -80.301
- #  53 total E   -9.84969E+01 rmsd from N    0.000 %NC  0.00
- 116.852-164.606 141.318 -38.185
- 119.651 178.741 147.326 -17.490
- 123.795 -66.932 149.000-125.625
-  93.811   1.368 134.859 -91.702
- 128.665-113.653 136.952 -44.361
-  92.584  61.412 136.182 103.854
-  91.775  72.404 145.038 -29.600
-  92.175  60.529 144.164-142.135
-  93.175 122.094 143.520-104.423
- 123.786  18.096   0.000   0.000
- 109.479 -30.717   0.000   0.000
-  98.517 -46.824 129.397-149.563
-  93.126  89.142 116.926 -76.213
- 132.335-102.701 120.736 -82.363
-  95.665 158.218   0.000   0.000
-  93.133  81.387 144.073-130.845
- 125.099-164.870 112.813-115.491
- 118.516-111.508 119.950-124.055
- 111.965 113.060  98.814 -95.347
-  93.482   0.000 134.690-116.352
- #  54 total E   -9.83866E+01 rmsd from N    0.000 %NC  0.00
- 118.815-116.911 110.151 -76.230
- 120.168 174.638 161.866-148.492
- 123.030 115.286 160.825 165.174
- 123.089-119.360 158.668 -73.599
- 126.080 -87.947 153.603 177.115
- 123.712-160.859 154.107-164.191
- 122.667-170.216 158.042 -14.274
- 123.917-171.090 122.226-124.321
- 120.700 -69.839 159.600-158.808
- 123.987-165.870   0.000   0.000
- 134.278 -65.696   0.000   0.000
- 117.379 -84.623 123.893-130.644
- 121.114 -32.163 117.631 -81.250
- 126.945 -68.118 121.364 -80.392
-  95.458  72.731   0.000   0.000
- 125.370 -78.379 138.603 -51.598
- 117.734-112.357 115.003-120.367
- 117.457-112.641 138.212-150.336
- 117.714-116.216 118.454-121.708
- 121.755   0.000 121.480 -80.610
- #  55 total E   -9.80890E+01 rmsd from N    0.000 %NC  0.00
-  93.632  21.933 110.522 -81.637
- 115.805-174.164 148.796-113.932
- 130.728 -94.136 110.419-103.195
- 124.897-150.147 159.972 -46.899
- 120.900 -72.258 134.911 -24.271
- 120.502-154.459 124.944 -44.910
- 122.503 -87.317 145.099-149.597
- 125.180-159.922 133.067 129.438
-  94.053  91.687 148.803 -23.898
- 136.728 -85.685   0.000   0.000
- 125.286-165.933   0.000   0.000
-  93.166  70.267 100.803-101.445
- 122.544 -84.582 147.720 -94.782
- 126.557-169.786 122.882 -78.991
- 124.806 174.118   0.000   0.000
- 129.614 -88.191 132.982-152.374
- 118.018-108.141 117.343-123.691
- 117.984-129.774 112.337-113.795
- 118.131   9.619 123.651-129.681
-  93.384   0.000 115.835 -76.890
- #  56 total E   -9.79407E+01 rmsd from N    0.000 %NC  0.00
-  93.648 117.535 109.970 -82.130
- 120.293 -90.323 152.013-135.785
- 124.557-173.662 152.773   1.893
- 123.190-170.943 165.552-117.993
- 117.416 170.647 158.677 152.326
- 128.478  35.528 149.810-169.808
-  92.915  78.112 143.246 -85.201
- 122.128 172.705 125.746-130.622
- 120.023-175.334 160.753-153.721
- 124.858 171.128   0.000   0.000
- 135.807 -58.650   0.000   0.000
- 118.231-144.950 120.927-125.698
-  94.046  95.966 115.560 -77.012
- 126.361-107.832 119.456 -80.875
- 123.064-176.861   0.000   0.000
- 129.543 -83.857 138.766-165.627
- 117.969-109.984 117.386-123.879
- 117.898-114.509 113.004-114.595
- 117.588-116.319 123.581-130.238
- 121.708   0.000 121.603 -80.543
- #  57 total E   -9.79366E+01 rmsd from N    0.000 %NC  0.00
- 117.278-158.566 146.518 -27.781
- 120.924-168.881 151.040 -17.090
- 130.848 -90.887 161.970 163.285
- 124.387-159.001 161.052 -76.610
- 122.451-170.827 151.022-143.961
- 125.896 177.001 150.838 156.462
- 112.359  84.216 151.724 -78.736
- 117.139 156.838 126.174-131.328
- 118.859 -82.359 158.043-152.709
-  95.236 160.064   0.000   0.000
- 136.259 -73.973   0.000   0.000
- 120.314 113.754 121.050-125.216
-  93.900 110.409 135.560-101.057
- 124.062-107.906 143.076-116.703
- 123.635-176.656   0.000   0.000
- 129.222 -88.299 108.154 -57.707
- 117.714-109.287 119.740-126.728
- 117.889-115.697 111.784-112.815
- 117.499-116.246 126.542-134.933
- 121.493   0.000 149.045-102.518
- #  58 total E   -9.76380E+01 rmsd from N    0.000 %NC  0.00
- 118.636-127.297 110.921 -80.099
- 122.324-168.890 160.563-139.231
- 130.976 -90.657 158.260 175.506
- 123.027-156.825 164.723-137.799
- 124.502-167.788 164.977-105.555
-  92.880  82.335 125.806  10.056
-  91.956  65.498 125.911 -98.097
-  92.502  82.624 140.073-132.766
-  93.464  28.863 147.715 -25.489
- 131.478 -65.115   0.000   0.000
- 125.449 -31.978   0.000   0.000
- 117.728-139.696 123.759-130.363
- 126.914-146.929 151.672-100.053
- 126.369-153.904 150.592 -62.932
- 135.115 -82.641   0.000   0.000
-  93.401  82.006 128.347-143.316
- 123.227-165.349 112.702-115.797
- 119.347-109.960 113.734-114.705
- 117.685-116.272 123.559-130.345
- 121.725   0.000 121.542 -80.523
- #  59 total E   -9.73926E+01 rmsd from N    0.000 %NC  0.00
- 117.600-140.786 152.640-151.949
- 122.786 -84.862 163.490 -13.553
- 126.373-168.484 155.499  -0.351
- 122.591-153.369 165.829-146.039
- 126.056 -83.500 149.769-104.082
- 119.305-179.888 129.030 -25.367
- 110.255  93.289 146.039-140.799
- 126.854-102.961 129.415-131.112
- 119.346 -71.001 110.463 -80.968
- 124.872-165.920   0.000   0.000
- 133.920 -65.300   0.000   0.000
- 115.333 -79.811  89.520 -75.809
-  94.055  -5.359 115.743 -75.618
- 130.647-159.845 150.975 -58.019
- 124.446 175.157   0.000   0.000
- 129.535 -86.315 141.266-169.100
- 117.984-109.887 117.481-124.129
- 117.897-114.480 112.917-114.503
- 117.602-116.292 123.293-129.790
- 121.515   0.000 148.662-104.964
- #  60 total E   -9.73899E+01 rmsd from N    0.000 %NC  0.00
- 117.901-147.944 148.880 -19.111
- 123.292 -91.817 153.055-129.356
- 123.793 177.272 165.191 164.428
- 110.682 102.406 169.667-150.240
-  91.977  50.531 121.304 -80.932
- 123.022 -82.316 138.055  28.849
- 122.504-157.265 159.007 -15.379
- 126.834 -91.611 121.865 -76.571
- 121.888-173.268 110.497 -81.866
- 135.191 -70.595   0.000   0.000
- 129.848 -57.367   0.000   0.000
- 117.257 -87.408 123.749-130.777
- 123.377 -35.765 121.192 -79.865
- 127.598-164.658 149.519 -57.420
- 125.129 175.345   0.000   0.000
- 129.588 -87.230 139.928-164.258
- 117.993-107.999 117.616-124.340
- 118.019-134.756 111.980-113.289
- 117.500 128.960 126.153-133.737
- 119.638   0.000 119.894 -80.388
- #  61 total E   -9.73834E+01 rmsd from N    0.000 %NC  0.00
- 117.885-134.669 153.918-149.801
- 121.372 176.392 151.374 -20.953
- 117.720 146.310 168.588 173.988
- 103.184 -55.272 118.798 -90.534
-  91.171 -10.286 111.437 -41.526
- 124.740 -91.945 169.643 140.506
- 125.140-157.314 156.594 178.231
- 127.254 -94.191 148.151-167.306
- 121.969-172.032 111.714 -81.188
- 124.945 171.802   0.000   0.000
- 135.572 -60.531   0.000   0.000
- 118.043-137.807 119.456-123.599
-  93.971 100.979 115.703 -76.903
- 123.549 -82.342 119.471 -80.903
- 124.771 -17.435   0.000   0.000
- 125.808 -79.366 143.097-167.746
- 117.945-108.582 117.446-124.167
- 117.956-134.875 112.543-114.224
- 117.270 129.044 126.612-134.446
- 119.701   0.000 119.921 -80.489
- #  62 total E   -9.71262E+01 rmsd from N    0.000 %NC  0.00
- 117.848-137.033 153.910-151.764
- 121.943-171.641 158.227-152.909
- 129.879 -85.957 150.993  -1.904
- 129.133-158.776 169.208 176.297
- 122.943-161.489 145.096  86.432
- 128.085-149.408 138.001  44.509
-  92.297 -28.809 139.887-108.228
- 116.927 -90.121 131.329-132.493
-  92.815  66.070 108.143 -81.800
- 119.913  18.882   0.000   0.000
- 129.425  -4.990   0.000   0.000
- 125.675-138.575 111.713-109.482
- 125.427-126.533 122.702 -77.259
-  95.004   9.786 114.436 -77.192
- 140.854-126.527   0.000   0.000
- 125.056 -69.569 146.390 -46.708
- 118.118-145.185 110.093-111.961
- 117.291 129.875 114.124-119.875
-  92.984 127.087 101.158-112.752
- 119.288   0.000 135.201-134.989
- #  63 total E   -9.67231E+01 rmsd from N    0.000 %NC  0.00
- 118.035-142.462 150.024 -19.566
- 122.798 -87.172 154.588 -18.936
- 126.189-173.303 163.566 173.681
- 122.176 170.349 159.681 -46.566
-  91.972  56.895 129.767-135.216
- 123.809-150.389 153.840 125.759
- 123.676 -87.491 166.790-166.733
- 126.166-158.460 137.498-132.500
- 120.464 -67.572 110.345 -77.719
- 125.949-158.338   0.000   0.000
-  94.845  49.537   0.000   0.000
- 110.256 -86.034 126.322-138.691
- 121.503 -33.962 148.851 -79.438
- 127.466-164.748 122.349 -80.463
- 125.460 174.612   0.000   0.000
- 129.376 -93.101 110.656 -55.623
- 117.731-109.177 119.618-126.609
- 117.895-115.414 111.811-112.865
- 117.515-110.601 126.302-134.604
-  94.597   0.000 116.485 -77.222
- #  64 total E   -9.65160E+01 rmsd from N    0.000 %NC  0.00
- 113.991 163.296 152.211-148.734
-  92.678  79.503 148.858-131.839
- 124.414 165.459 163.923 169.512
- 122.263-176.840 162.873 -74.842
- 119.279 166.040 153.464-156.853
- 121.716  38.903 144.803-139.573
-  92.638 142.727 144.246 -37.710
- 123.315 -87.988 133.064 -98.211
- 121.319-172.584 151.614 -18.729
- 135.393 -69.925   0.000   0.000
- 127.607 -31.722   0.000   0.000
- 117.820-140.851 120.417-125.107
-  93.976 102.659 115.627 -76.982
- 123.971 -82.913 119.689 -80.923
- 125.397 -17.809   0.000   0.000
- 125.893 -78.725 143.174-171.157
- 117.930-110.704 117.168-123.688
- 117.864-113.901 113.618-115.566
- 117.571-116.272 123.263-129.703
- 121.752   0.000 121.537 -80.591
- #  65 total E   -9.56591E+01 rmsd from N    0.000 %NC  0.00
- 117.762-147.282 149.606 -22.194
- 114.760  78.718 153.227 -21.604
- 125.123 174.290 168.785 178.931
- 120.622 163.483 169.432-148.547
-  91.751  65.938 136.420-108.788
- 118.336 168.933 139.422  79.757
-  92.557  61.301 143.079 166.538
- 113.383 164.554 123.890 -92.436
- 117.965 -77.685 109.588 -83.294
-  94.744  48.593   0.000   0.000
- 126.843 -87.690   0.000   0.000
-  93.270  76.419 130.218-153.270
- 133.270-121.745 122.463 -81.448
- 131.848 -88.133 124.386 -78.570
- 118.702 -15.987   0.000   0.000
- 116.488 -91.811 141.079  69.005
- 117.740 120.224 119.312-127.582
-  92.717  52.492 108.870-110.696
-  93.362  12.202  96.299-102.537
- 118.517   0.000 117.639 -80.269
- #  66 total E   -9.52645E+01 rmsd from N    0.000 %NC  0.00
-  93.610  45.792 143.567-130.122
-  92.673  79.005 152.886-138.277
- 123.512 166.355 101.389 -77.552
- 115.792  85.659 159.760-120.268
- 127.787-110.695 137.518 -28.054
- 120.496 177.690  99.614 -80.277
- 115.910 -74.586 147.373 -26.522
-  94.328 -16.650 127.569 -92.750
-  94.887 100.557 141.751-129.466
- 131.763  14.438   0.000   0.000
- 126.468 -31.346   0.000   0.000
-  92.456  69.119  89.119 -84.482
-  92.681  -3.348 113.348 -78.565
- 117.584-140.686 112.280 -77.469
-  95.066  97.364   0.000   0.000
- 129.434 -91.898 123.104-106.510
- 129.366 134.559 119.333-120.202
- 124.836-172.672 103.744 -98.004
- 118.886-116.887 120.085-125.834
- 121.444   0.000 143.185-135.225
- #  67 total E   -9.50629E+01 rmsd from N    0.000 %NC  0.00
- 117.836-133.963 153.120-150.230
- 121.599 -55.877 156.434 -18.655
- 111.542  75.567 103.550 -83.293
- 120.637 159.002 176.427-178.899
-  91.797  63.876 137.685-122.046
- 112.647 163.419 142.089  82.286
-  92.305  75.940 143.172-164.856
-  92.688  70.956 130.158 -88.873
- 110.428 -88.163 106.785 -88.839
- 122.611 -62.327   0.000   0.000
-  94.835 166.254   0.000   0.000
-  93.097  64.359  94.619 -98.262
- 124.696 -80.995 121.119 -81.844
- 125.717-168.949 120.268 -81.227
- 123.192  31.046   0.000   0.000
- 126.988 -88.489 116.656 -55.206
- 117.866-107.650 118.841-125.574
- 117.896-130.509 111.864-113.022
- 116.897 119.363 128.992-138.795
-  93.494   0.000 115.251 -77.295
- #  68 total E   -9.47871E+01 rmsd from N    0.000 %NC  0.00
- 114.725 -47.087 149.133 -21.501
-  92.664  25.056 146.418-104.572
- 111.024  77.928 165.416 165.906
-  92.994  81.511 135.367 -86.298
-  91.799  75.743 103.745-112.189
- 120.369-129.233 140.915-134.166
- 124.410 -85.422 161.110 -11.216
- 126.137-169.468 133.930-109.813
- 117.791 -68.976 157.390-149.854
-  94.753  66.852   0.000   0.000
- 130.499 -62.630   0.000   0.000
- 116.931 -88.967 124.182-131.551
- 127.191 -53.009 122.539 -80.149
- 128.535-158.274 160.372-113.564
- 134.439 -77.317   0.000   0.000
-  93.181  74.754 109.798 119.643
- 117.965-106.068 115.112-121.697
- 117.735-129.482 110.432-112.117
- 117.385-116.222 130.806-142.464
- 121.774   0.000 121.519 -80.347
- #  69 total E   -9.45836E+01 rmsd from N    0.000 %NC  0.00
-  93.609 104.784 143.195-131.720
- 118.843-177.623 157.786-148.650
- 124.887-179.053 152.600  -1.000
- 122.679 -87.315 163.300-147.447
- 122.906-169.723 153.763-146.754
-  93.248  70.265 102.613-163.628
-  92.687 116.414 149.301 -33.069
-  91.368 -25.672 142.897-119.102
-  91.005 -62.455 140.400-120.179
-  93.490  18.432   0.000   0.000
- 124.276 -78.288   0.000   0.000
- 116.872-138.254 136.214-152.196
- 126.520-156.635 122.571 -80.337
- 125.017 -79.314 117.966 -81.650
- 127.796 -41.635   0.000   0.000
- 109.200  79.628 131.425-142.599
- 119.607-106.994 115.373-120.992
- 117.646-130.824 113.364-115.604
- 117.246-110.403 135.094-148.350
-  94.592   0.000 116.535 -77.131
- #  70 total E   -9.40271E+01 rmsd from N    0.000 %NC  0.00
- 117.694-136.048 152.382-152.093
- 120.897 177.468 153.278 -70.165
-  94.386  74.873 175.006-177.555
- 123.347-176.034 132.562 -80.319
- 124.933-171.837 133.039 -34.074
- 125.462-169.265 108.138 -67.801
- 122.670-176.036 141.490-118.371
- 122.262 162.400 129.926-105.093
- 111.840 -72.155 152.229-143.309
-  94.651  54.063   0.000   0.000
- 132.791 -68.258   0.000   0.000
- 118.008-137.940 124.332-131.126
- 127.813-150.988 154.952 -64.828
- 125.221-170.779 144.452 -61.113
-  95.101  78.854   0.000   0.000
- 126.187 -79.121 140.256 -49.781
- 118.926-164.695 115.921-121.038
-  92.793  50.315 109.746-115.765
- 114.460 -18.441 123.495-132.979
-  93.520   0.000 137.041-104.057
- #  71 total E   -9.38085E+01 rmsd from N    0.000 %NC  0.00
- 117.676-137.196 152.277-146.950
- 120.915 174.121 151.714-176.360
- 115.012 102.410 120.625 -74.744
-  92.264  -4.518 146.064 -85.654
-  91.516 -82.655 101.630 -58.312
- 117.917-175.150 142.436 115.040
- 111.385  83.931 157.312 174.986
- 120.902 169.752 124.166 123.347
- 119.901-172.501 157.860-150.333
- 125.786  14.885   0.000   0.000
- 128.670 -39.699   0.000   0.000
- 117.862-138.811 123.875-130.515
- 126.954-146.298 151.195 -93.804
- 126.438-152.352 150.549 -67.822
- 134.993 -99.952   0.000   0.000
- 127.362-101.304 142.800-156.613
- 120.608 133.807 118.306-124.283
- 122.651-109.357 114.481-114.872
- 117.938-116.264 123.063-129.548
- 121.759   0.000 121.490 -80.591
- #  72 total E   -9.35992E+01 rmsd from N    0.000 %NC  0.00
- 117.665-137.863 152.527-150.149
- 122.797-176.486 162.360-144.764
- 123.973 164.233 167.597 166.657
- 120.398 107.011 166.622-129.376
- 126.014-104.928 142.921 -45.586
-  92.865  58.856  93.365-101.420
-  91.820  63.864 137.572-115.119
-  92.413  64.942 135.516-146.661
-  93.322 154.758 147.288 -38.157
- 129.243 -59.524   0.000   0.000
-  95.662   9.025   0.000   0.000
- 106.718 -63.294 126.423-141.100
-  93.506 -17.002 115.123 -76.258
-  95.956  78.219 116.052 -76.742
- 145.437-123.107   0.000   0.000
- 127.092 -79.044 136.520 -50.188
- 118.299-155.706 119.542-126.944
-  93.033 110.320 106.334-107.281
- 117.898  66.215 117.649-123.764
- 118.406   0.000 120.003 -80.130
- #  73 total E   -9.35913E+01 rmsd from N    0.000 %NC  0.00
- 117.947-144.927 149.044 -20.392
- 122.455-168.158 158.848-148.071
- 130.095 -89.262 152.225   3.050
- 124.206-169.913 154.604 -49.078
-  91.842  67.543 129.355-141.673
- 117.782 156.750 131.860  -5.995
- 108.037 102.160 144.604-142.516
- 125.858-100.121 130.420-134.620
- 120.012-172.924 150.815 -18.693
- 124.901 172.344   0.000   0.000
- 135.228 -67.837   0.000   0.000
- 117.587 -82.572 112.091-114.777
-  93.426  68.225 115.258 -76.604
- 120.244 -77.730 116.564 -79.978
- 120.004 -16.420   0.000   0.000
- 121.453 -95.799 114.598 -52.713
- 116.712 129.133 130.095-144.872
-  92.841 122.028 107.508-108.437
- 119.761 159.955 118.909-124.750
- 120.599   0.000 120.400 -80.387
- #  74 total E   -9.34629E+01 rmsd from N    0.000 %NC  0.00
- 114.583 159.110 142.694 -13.611
-  92.751 108.149 153.416-125.892
- 131.937 -93.207 150.553   0.939
-  93.310  63.130 144.969 -92.340
-  91.607  72.832 114.367 -39.526
-  93.049  35.608 102.801 -67.621
- 106.039 -91.291 149.978-100.623
- 123.575-168.681 123.968-121.895
- 120.265 -74.574 161.240-157.246
- 130.702 -66.912   0.000   0.000
- 126.050 -29.996   0.000   0.000
- 116.014-139.193  96.722 -86.327
- 126.728-147.744 150.966 -77.241
- 126.352-154.100 122.322 -80.302
- 135.114 -82.611   0.000   0.000
-  93.406  82.116 128.655-143.308
- 123.381-165.358 112.728-115.717
- 119.333-109.914 113.702-114.683
- 117.689-110.564 123.694-130.502
-  94.594   0.000 116.421 -77.270
- #  75 total E   -9.27118E+01 rmsd from N    0.000 %NC  0.00
-  93.659  18.059 147.246 -30.551
- 116.910-171.543 159.118-143.863
- 130.794 -92.993 162.423 166.128
- 122.990-151.412 139.230 -91.122
- 126.182 -86.200 151.158-134.268
- 123.708-153.040 153.849-161.456
- 122.618 -85.072 159.802 -12.647
- 125.912-156.702 134.871 140.045
- 120.784-172.453 159.200-146.930
- 124.527  24.900   0.000   0.000
- 123.963-162.628   0.000   0.000
- 118.841 134.143 125.182-132.047
- 126.076-106.217 149.071 -86.568
- 126.778-169.358 150.523 -66.706
- 125.845 172.326   0.000   0.000
- 129.371 -95.520 112.054 -54.448
- 117.752-108.986 119.594-126.584
- 117.909-115.445 111.837-112.882
- 117.525-110.568 126.187-134.415
-  94.597   0.000 116.468 -77.258
- #  76 total E   -9.25011E+01 rmsd from N    0.000 %NC  0.00
- 113.698 -39.949 151.626-147.469
-  92.743 113.086 150.171-133.620
- 131.087 -97.119 159.924 171.783
- 123.045-153.623 165.013-120.700
- 126.326 -85.360 148.656-111.256
- 122.599-153.238 138.776  -5.284
- 120.510 -76.780 163.950 -14.995
- 124.085-161.406 140.052-124.030
- 120.855 -74.188 115.039 -85.028
- 130.216 -65.711   0.000   0.000
- 125.944 -30.198   0.000   0.000
- 117.865-140.487 123.837-130.450
- 126.619-160.068 150.790 -94.437
- 124.551 -72.403 121.278 -79.722
- 126.084 -25.039   0.000   0.000
- 125.600 -75.984 143.359-169.437
- 118.246-156.143 119.023-126.519
-  93.045 111.650 106.318-106.783
- 119.160-100.967 118.150-123.604
-  94.483   0.000 116.569 -77.289
- #  77 total E   -9.15111E+01 rmsd from N    0.000 %NC  0.00
-  93.612 112.795 143.366-131.303
- 120.639 -53.494 155.028-140.374
- 109.096  72.696 170.564-169.311
-  93.368  81.453 132.797 -83.164
-  91.922  43.295 105.385-113.558
- 121.201 -75.137 103.100 -76.412
- 114.231 -60.187 159.292 -19.686
- 123.557-166.287 145.320-144.027
- 120.675 -73.669 147.892 -31.895
-  95.369 164.951   0.000   0.000
- 135.548 -59.794   0.000   0.000
- 118.015-136.688 123.131-129.496
- 126.874-149.841 122.157 -80.766
- 126.682-167.653 149.118 -53.903
- 125.242 171.724   0.000   0.000
- 129.562-106.045 139.526-159.552
- 120.880 132.309 118.095-123.640
- 119.965 153.918 118.971-123.065
-  93.212  10.257 101.067-100.567
- 118.547   0.000 145.525-100.397
- #  78 total E   -9.15079E+01 rmsd from N    0.000 %NC  0.00
-  93.629  22.004 108.741 -84.288
-  92.499 -27.114 141.893-124.311
- 111.216 -94.370 112.878-131.372
-  93.467  50.292 145.197 -95.936
-  92.412  75.645 125.255-109.296
- 128.025-173.923 161.188  -5.701
- 116.250 -68.424 148.638-165.604
- 115.146 141.513 125.653-129.686
- 117.436 -75.938 150.819 -21.301
-  94.575 168.937   0.000   0.000
- 139.117 -65.443   0.000   0.000
- 125.812  25.384 107.372-106.050
- 128.996-119.130 120.899 -79.737
-  94.417 117.992 116.230 -76.326
- 124.889  24.833   0.000   0.000
- 126.107 -82.974 114.010 -54.315
- 117.581-105.905 120.463-127.681
- 117.898-131.251 111.097-111.987
- 117.377 119.713 124.127-132.227
-  93.489   0.000 115.099 -77.039
- #  79 total E   -9.08530E+01 rmsd from N    0.000 %NC  0.00
-  93.610  46.589 143.657-133.385
-  92.681 -54.657 144.310 -38.004
- 127.666-157.989 107.093 -85.917
- 122.338 -97.937 135.601 -90.724
- 124.191-165.466 146.974 132.752
-  93.278  92.152 147.761-122.859
-  92.489  66.314 143.090 -42.485
- 113.000 168.558 113.454-123.292
- 116.587 -68.752 112.783 -79.222
- 115.822  -8.218   0.000   0.000
- 122.731 -62.035   0.000   0.000
- 114.043  27.998 126.225-136.175
- 121.190 -72.885 146.746 -80.264
- 123.925 -58.587 149.189 -68.238
- 123.823  77.301   0.000   0.000
- 127.852 -81.498 141.842-164.792
- 117.965-110.013 117.391-124.030
- 117.883-114.318 113.099-114.726
- 117.592-116.316 123.325-129.874
- 121.713   0.000 121.536 -80.461
- #  80 total E   -9.07843E+01 rmsd from N    0.000 %NC  0.00
- 117.467-157.654 144.737 -26.017
- 121.481-168.905 161.188-142.020
- 131.244 -92.013 161.488 164.279
- 123.887-156.757 139.069 -85.269
- 123.558-166.481 130.903 -15.604
- 125.666-161.056 152.289-178.228
- 122.270 -82.229 159.507 -11.630
- 125.561-157.825 139.301-119.177
- 121.451-173.458 111.697 -80.811
- 124.616 169.202   0.000   0.000
- 136.147 -73.781   0.000   0.000
- 122.554 108.781 120.975-123.672
- 126.824 -96.128 121.352 -80.413
- 126.895-169.272 122.175 -80.194
- 126.263 174.798   0.000   0.000
- 129.209 -82.854 140.028 -48.840
- 118.490-156.816 118.938-125.980
-  93.101 111.952 106.158-106.149
- 118.602 156.430 118.485-124.317
-  93.808   0.000 115.481 -77.234
- #  81 total E   -9.05192E+01 rmsd from N    0.000 %NC  0.00
-  93.607 104.721 143.221-131.834
- 118.830-178.383 158.601-147.773
- 123.976 178.656 153.834  -1.468
- 123.457 -89.541 164.549-161.563
- 126.064-150.719 150.824-136.990
- 127.273 -81.748  99.169-122.138
- 121.569-172.471 163.932-146.148
- 113.706 113.070 129.409-138.243
-  94.082  18.899 143.847-125.732
- 127.737-161.027   0.000   0.000
- 134.177 -48.689   0.000   0.000
- 118.150-137.290 123.683-130.109
- 126.578-151.642 150.699 -92.795
- 126.707-167.940 150.800 -68.950
- 126.489 175.243   0.000   0.000
- 129.179 -79.693 142.752 -50.134
- 118.297-142.423 112.395-115.756
- 117.176 131.699 117.939-121.751
-  93.061 125.479 101.774-110.801
- 119.734   0.000 120.242 -81.406
- #  82 total E   -9.04993E+01 rmsd from N    0.000 %NC  0.00
- 117.766-135.483 152.776-150.596
- 121.474 175.979 153.050 -11.608
- 118.160 113.818 168.455 167.441
- 122.973-102.620 133.911 -86.421
- 124.673-176.665 150.857 140.461
-  93.756  94.210 128.812   9.523
- 123.840 -92.916 137.411-117.137
- 125.341-160.472 123.817-120.315
- 121.127-172.208 161.501-155.847
- 124.597  24.024   0.000   0.000
- 123.680-163.217   0.000   0.000
-  93.169  79.625 100.788-101.468
- 123.833 -92.557 147.900-100.673
- 126.307-170.978 150.285 -68.809
- 125.771 172.468   0.000   0.000
- 129.330 -94.591 121.665 -52.230
- 117.869-107.364 118.934-125.851
- 117.992-135.737 111.777-112.915
- 117.614  -0.125 126.982-135.286
- 118.935   0.000 120.430 -79.925
- #  83 total E   -9.00693E+01 rmsd from N    0.000 %NC  0.00
- 117.532-142.849 152.742-149.024
- 122.668-168.411 160.716-143.302
- 130.866 -90.951 162.026 164.934
- 123.257-157.728 139.704 -92.420
- 126.088-163.973 149.897-128.633
- 124.330-158.823 140.891  -1.184
- 119.825 -74.839 163.335 -15.483
- 124.412-159.555 140.127-123.874
- 121.308-175.011 115.299 -85.573
- 135.438 -70.044   0.000   0.000
- 127.935 -31.240   0.000   0.000
- 118.024-138.581 124.089-130.752
- 126.853-150.616 137.432  -8.718
- 124.680 -74.451 120.530 -79.543
- 125.903  -6.475   0.000   0.000
-  93.809 152.214 141.664 -56.923
-  93.232 125.651 102.325-123.885
- 123.208-109.641 114.229-114.947
- 118.017-116.280 123.040-129.463
- 121.720   0.000 121.553 -80.568
- #  84 total E   -9.00679E+01 rmsd from N    0.000 %NC  0.00
- 117.417-145.520 152.804-147.668
- 122.065-166.770 155.412  -9.723
- 131.324 -89.653 163.122 167.134
-  93.209  53.425 167.771-140.349
-  91.346  61.568 115.286 -73.196
-  93.063  67.047 118.591-133.511
-  92.569 -62.189 136.851-109.437
- 129.086 178.658 109.830-118.678
- 121.384 -78.024 159.059-160.359
-  95.209 165.791   0.000   0.000
- 137.358-133.257   0.000   0.000
-  93.192  96.026 100.872-101.328
- 126.932 -70.152 149.432-100.855
- 132.274 -28.037 153.957 -68.040
- 132.734 107.699   0.000   0.000
- 127.332 -73.874 134.410 -69.643
- 119.067-139.591 112.369-116.264
- 120.353 124.114 117.626-119.407
- 122.150  64.258 121.876-127.447
-  93.351   0.000 115.124 -77.055
- #  85 total E   -8.95999E+01 rmsd from N    0.000 %NC  0.00
- 117.731-135.381 152.547-149.790
- 119.738 168.717 148.512 -18.126
- 114.645  42.694 140.682-117.974
- 119.693-143.153 134.304 -87.287
- 126.721 -88.533 150.085 153.247
- 123.665-151.950 150.054-120.322
- 123.071 -84.412 171.844-148.580
- 125.540-158.179 127.001-115.135
- 120.816-174.713 160.695-154.528
- 135.502 -66.971   0.000   0.000
- 127.995 -31.541   0.000   0.000
- 121.330 116.736 121.394-124.969
- 126.975 -98.096 150.123 -80.196
- 125.920-167.909 122.025 -79.849
- 123.099  31.099   0.000   0.000
- 126.980 -88.203 107.278 -57.570
- 117.774-109.222 119.631-126.547
- 117.863-115.520 111.920-113.024
- 117.499-116.206 126.507-134.874
- 121.500   0.000 149.070-102.240
- #  86 total E   -8.93361E+01 rmsd from N    0.000 %NC  0.00
-  93.612  11.304 143.371-128.504
- 119.054-112.340 145.959-102.234
-  92.962  83.327 129.848 -45.415
-  93.158  58.925 128.513 -86.161
-  92.110 111.857  94.672-100.757
-  96.240 -24.382 145.877 -92.292
-  91.165 -62.963 146.151 -34.201
-  92.288  14.398 135.661-110.143
- 122.434-165.487 111.128 -81.509
- 124.892 174.202   0.000   0.000
- 135.102 -71.363   0.000   0.000
- 117.253 -86.809 127.690-137.239
- 122.883 -35.798 121.173 -79.808
- 127.372-164.431 150.649 -69.661
- 126.140 177.533   0.000   0.000
- 129.088 -78.597 141.412 -36.835
- 116.631-141.502  99.188 -84.988
- 116.224 126.883 119.021-125.400
- 118.549  66.195 117.683-123.780
- 118.249   0.000 145.228-107.464
- #  87 total E   -8.93345E+01 rmsd from N    0.000 %NC  0.00
- 117.318-156.229 147.604 -27.105
- 120.898-169.787 148.728 -22.064
- 130.643 -99.651 159.254 167.140
- 126.975-168.290 164.527-111.771
- 111.632 -59.366 146.055-123.598
- 111.722-165.112 133.623 -23.992
- 126.999-169.631 150.859-156.423
- 122.124 -91.914 143.751-131.598
- 118.041 170.578 151.238 -19.313
- 136.328 -74.027   0.000   0.000
- 120.649 -22.513   0.000   0.000
- 116.880 121.916 125.207-133.010
- 129.505 -98.162 150.720 -84.286
- 129.613 -78.173 151.928 -67.771
- 130.484-153.020   0.000   0.000
- 126.338 -69.646 140.089 -27.992
- 116.892-139.345 100.901 -85.075
- 114.529 134.766 119.680-126.835
- 121.462 -29.381 109.609-108.989
- 119.498   0.000 146.841 -97.486
- #  88 total E   -8.86854E+01 rmsd from N    0.000 %NC  0.00
-  93.655 109.360 149.640-117.942
- 112.690 174.006 149.194 -13.835
- 117.983  41.380 112.450 -88.626
- 110.239 164.162 152.499  63.449
-  92.101  98.621 122.402-134.298
-  92.995 -10.150 104.385-170.064
-  91.457 -77.654 150.063 -33.403
- 115.177-172.636 146.952 -91.307
- 122.588-152.771 158.788 163.670
- 131.709-165.047   0.000   0.000
- 127.407 -12.874   0.000   0.000
- 119.642 -35.456 108.967-109.829
-  93.185  94.889 123.589 154.735
-  94.303  29.607 112.888 -76.865
- 137.056 -73.495   0.000   0.000
-  93.688  89.731 132.491-138.618
- 119.959-160.049 108.483-111.000
- 118.867-113.556 110.837-111.567
- 116.644 113.762 132.404-146.566
-  93.475   0.000 134.506-104.822
- #  89 total E   -8.85999E+01 rmsd from N    0.000 %NC  0.00
-  93.643  16.559 148.315 -31.964
- 118.374 -81.466 151.427-136.590
- 124.869-168.266 151.475   4.390
- 121.619-172.324 169.041-174.147
- 113.728 104.621 158.375 131.816
-  91.224 -15.805  77.022 -93.520
-  91.106 -71.308 144.969 -37.184
- 117.081-167.335 130.732-124.222
-  94.211  42.514 152.646   6.006
-  95.094  36.422   0.000   0.000
- 110.244 -40.417   0.000   0.000
- 123.162 109.423 113.906-114.099
-  93.722  48.837 115.975 -76.036
- 126.683-100.428 120.779 -81.161
- 121.951-177.855   0.000   0.000
- 129.055-123.270 123.239-127.611
-  93.141 101.871 101.993-118.709
- 123.235-111.594 111.297-111.600
- 117.974-116.565 123.665-130.567
- 121.509   0.000 149.218-104.265
- #  90 total E   -8.85759E+01 rmsd from N    0.000 %NC  0.00
-  93.609  38.026 143.524-128.968
-  92.611 134.508 148.109-111.887
- 130.574 -93.975  97.813 -90.869
- 122.920-161.267 134.077 -79.470
- 123.429-166.373 149.673-179.330
- 130.312 -76.586 107.369-139.306
-  92.242  68.717 151.534 -94.310
-  92.655  91.503 134.312-116.890
-  93.467  23.910 106.737 -89.033
- 125.355-162.214   0.000   0.000
- 134.189 -47.629   0.000   0.000
- 118.191-137.673 123.799-130.252
- 126.291-153.264 151.341 -86.754
- 127.966 -68.568 122.295 -80.271
- 124.756  72.153   0.000   0.000
- 126.784 -75.328 141.091-161.585
- 118.065-141.290 117.297-123.415
- 107.588 137.428 103.697-100.423
- 119.344-116.601 119.470-126.859
- 121.492   0.000 148.244-105.970
- #  91 total E   -8.81189E+01 rmsd from N    0.000 %NC  0.00
-  93.622 113.909 143.407-132.677
- 118.956-168.494 158.270-144.171
- 129.726 -90.956 153.052   3.585
- 124.913-152.062 153.975 -46.343
- 119.781 -73.463 147.037-168.723
- 122.556-156.434 111.156 -69.778
- 123.475-167.473 140.407-140.352
- 125.276-165.573 143.144-108.297
- 121.592-173.934 111.826 -81.333
- 124.758 171.259   0.000   0.000
- 135.587 -60.886   0.000   0.000
- 118.060-136.506 123.328-129.701
- 126.776-155.352 122.229 -80.674
- 125.084 -72.631 121.086 -79.424
- 124.913 -18.972   0.000   0.000
- 123.370 -89.392 119.555 -58.033
- 117.001 123.142 118.841-127.210
-  92.750  50.737 107.423-119.577
- 117.059 -18.535 116.589-122.095
-  93.495   0.000 115.721 -76.966
- #  92 total E   -8.79736E+01 rmsd from N    0.000 %NC  0.00
-  93.616  16.927 143.946-126.153
- 119.549-102.066 151.331-169.611
- 123.890 152.921 147.957 131.536
-  93.580  80.161 147.449 -92.060
-  92.376  54.309 101.141 -84.444
- 111.764 -70.806 124.674-115.866
-  91.907 -41.493 155.662-158.049
- 120.093-163.060 141.518 137.584
- 116.842 -59.934 151.353 -35.522
- 125.563-164.247   0.000   0.000
- 134.321 -74.148   0.000   0.000
- 116.286  25.656 125.959-134.792
- 121.151 -86.314 120.225 -79.295
- 124.548 -69.198 121.163 -79.651
- 126.477 -22.539   0.000   0.000
- 125.616 -87.423 123.950 -62.494
- 108.832 134.572 100.497-107.090
- 122.225-109.150 116.409-118.854
- 117.894-116.352 122.213-127.991
- 121.727   0.000 121.512 -80.633
- #  93 total E   -8.77591E+01 rmsd from N    0.000 %NC  0.00
- 118.082-142.145 149.162 -19.677
- 122.377-169.634 154.465-132.587
- 130.596 -94.406  96.989 -89.017
- 122.416-158.731 143.093 -89.457
- 126.355-163.466 157.072 170.675
- 123.807-156.061 140.351  10.047
- 121.935 -76.474 165.171 -12.395
- 124.719-157.657 127.462-114.399
- 120.589-173.597 158.230-145.847
- 124.592 170.145   0.000   0.000
- 135.915 -71.830   0.000   0.000
-  93.350  63.373 100.715-100.930
- 126.867-119.536 121.295 -80.868
- 126.587-105.579 145.985 -66.304
- 123.765-174.052   0.000   0.000
- 129.265 -77.189 134.703 162.377
- 118.199-141.379 117.704-123.946
- 108.084 136.376 103.471 -99.915
- 119.028 153.006 119.721-127.202
-  93.770   0.000 115.408 -77.198
- #  94 total E   -8.73197E+01 rmsd from N    0.000 %NC  0.00
- 118.571-102.040 112.135 -73.501
- 119.244 163.671 168.367 174.875
- 129.679 117.939 156.556 141.329
- 110.909  99.787 164.292-132.980
- 124.417 -57.948 142.651 -38.580
- 113.768  90.909 100.177 -88.715
- 112.138 -40.036 150.187-124.404
- 122.126-143.404 134.771-133.384
- 122.952-162.641 152.641 -16.028
- 135.109 -59.400   0.000   0.000
-  95.497  17.532   0.000   0.000
- 122.209-143.190 119.958-122.471
- 124.159-155.617 147.578-130.787
- 128.131 -70.812 114.381 -77.018
- 132.787 -25.721   0.000   0.000
- 123.577 -66.406 104.537 -90.742
- 116.362 132.601 117.496-125.968
- 123.378-178.304 133.323-142.112
- 123.908  -9.457 108.413-103.590
-  93.441   0.000 115.672 -77.258
- #  95 total E   -8.73194E+01 rmsd from N    0.000 %NC  0.00
- 117.832-103.462 153.499-153.102
- 124.850-106.242 152.638-130.694
-  93.304  62.962 168.143   3.595
-  93.133  88.695 119.017-100.124
-  91.296   6.022 135.388   3.958
- 110.052-100.509 164.527 178.134
- 119.389 174.962 167.581   2.609
- 116.526 120.261 179.982 -44.035
- 120.936-102.970 112.306 -82.349
- 132.863 -61.878   0.000   0.000
-  94.960  43.435   0.000   0.000
- 116.555 169.231 124.241-131.877
- 126.497-167.619 122.465 -80.785
- 126.351-157.901 121.998 -80.018
- 134.568-108.016   0.000   0.000
- 127.434 -82.459 140.649-175.511
- 118.568-155.778 114.683-119.517
-  93.123 110.297 122.776-141.512
- 117.374  66.217 120.564-127.806
- 118.395   0.000 119.962 -80.161
- #  96 total E   -8.67719E+01 rmsd from N    0.000 %NC  0.00
-  93.656  19.815 147.415 -29.577
- 116.858-169.570 149.408 -17.898
- 130.085 -87.741 168.894 161.514
- 123.523-158.171 131.121 -76.982
- 123.166-172.378 130.532 -23.883
- 124.874-174.612 151.198-141.649
- 121.859-171.070 153.195 -74.599
- 124.738-169.377 137.499-122.096
- 121.894-172.812 115.993 -81.523
- 135.326 -63.162   0.000   0.000
-  95.034  75.244   0.000   0.000
- 115.536  68.859 120.707-127.664
- 123.615 -87.733 120.497 -79.986
- 122.285 -67.608 148.086 -68.420
- 120.401  69.496   0.000   0.000
- 127.348 -86.050 108.405 -58.363
- 117.570-109.099 119.149-125.982
- 117.897-118.246 112.756-113.824
- 117.664-117.307 127.969-136.730
- 121.684   0.000 152.959 -84.644
- #  97 total E   -8.64673E+01 rmsd from N    0.000 %NC  0.00
- 117.438-158.274 144.507 -26.367
- 121.377-168.698 159.823-136.931
- 131.411 -95.884 161.914 169.323
- 124.021 177.808 159.779 -68.071
-  91.913  59.086 131.134-131.660
- 124.115-171.079 151.326 110.276
- 122.284-159.753 162.921-169.263
- 126.756 -89.452 138.127-143.939
- 121.858-171.580 111.665 -81.162
- 124.882 171.562   0.000   0.000
- 135.576 -59.738   0.000   0.000
- 118.052-136.563 123.338-129.711
- 126.847-149.848 122.330 -80.708
- 126.817-166.800 122.576 -79.244
- 125.257 171.361   0.000   0.000
- 129.120-124.674 137.821-132.254
-  93.170 102.803 101.854-121.375
- 122.458-175.886 114.329-116.210
-  93.249  25.079 101.059-101.453
- 118.348   0.000 145.057-102.608
- #  98 total E   -8.64343E+01 rmsd from N    0.000 %NC  0.00
-  93.616  17.416 144.170-129.867
- 117.017-179.607 158.638-142.084
- 126.596 174.649 162.365-178.462
- 122.573-171.186 144.969 -83.846
- 125.925-166.648 147.611-128.082
- 124.833-158.329 102.035 -69.098
- 122.466 -85.322 149.869-134.590
- 125.462-158.505 142.047 146.028
- 120.803 -74.405 111.353 -81.309
- 130.343 -65.794   0.000   0.000
- 126.283 -30.539   0.000   0.000
- 117.863-138.932 123.412-129.926
- 126.805-143.566 122.157 -80.673
- 126.934-100.560 150.821 -70.755
- 125.269-172.339   0.000   0.000
- 129.165 -80.083 149.138  66.655
- 119.139-163.983 114.696-118.968
-  92.744  49.949 108.449-113.279
- 112.772 151.722 124.114-134.353
- 120.170   0.000 145.715-144.244
- #  99 total E   -8.63413E+01 rmsd from N    0.000 %NC  0.00
- 118.293-140.446 111.504 -81.650
- 122.978 -90.857 152.115 -22.231
- 122.765 -19.936 163.133 151.790
- 117.447 -96.777 112.737 -74.224
-  91.174  62.524 125.584-114.733
-  93.080  69.489 137.265 -17.938
-  92.253  75.117 147.943-105.109
- 120.598 -80.905 122.083-136.390
- 122.189-164.270 111.389 -80.442
- 126.357-177.141   0.000   0.000
-  94.886  85.951   0.000   0.000
- 114.925 -36.314 118.871-125.711
- 120.578 -30.106 148.177 -81.789
- 128.811-162.230 149.439 -55.880
- 125.186 179.066   0.000   0.000
- 128.902 -94.041 140.772-168.283
- 124.326 132.751 116.423-119.365
- 120.865-173.279 119.439-122.156
- 114.545-117.147  98.054 -89.903
- 122.038   0.000 121.182 -82.852
- # 100 total E   -8.62081E+01 rmsd from N    0.000 %NC  0.00
- 117.494-147.669 149.235 -31.069
- 119.747 167.706 146.264 -15.744
- 116.316  42.586 104.366 -78.397
- 123.915-139.271 159.092 -48.668
- 118.316  69.639 143.278 150.903
- 131.989 -84.039 107.581-104.939
-  92.409  75.909 143.693 174.035
-  92.972  84.983 125.040 -65.942
- 114.802 -95.350 151.019 -23.773
- 119.227   4.752   0.000   0.000
- 123.533 -27.553   0.000   0.000
- 117.292-135.740 122.901-129.502
- 130.163-144.738 149.023 -89.906
- 126.437-152.126 120.213 -79.822
-  94.832  68.803   0.000   0.000
- 124.834 -75.475 141.095-163.237
- 117.836-145.830 113.946-118.770
- 114.951  11.982 122.518-128.938
- 114.258  -4.748 124.062-135.070
-  93.455   0.000 136.874-104.389
- # 101 total E   -8.60330E+01 rmsd from N    0.000 %NC  0.00
-  93.601  22.033 143.909-128.929
- 116.485-170.573 156.058-145.427
- 130.276 -91.457 150.651   0.056
- 122.530-173.227 165.379-125.463
- 113.403  96.830 127.937   3.193
- 128.757 -92.320  98.008 -94.921
- 123.626-164.005 150.783-166.083
- 124.697-166.789 161.391 160.336
- 121.039 -74.432 111.349 -81.297
- 130.211 -66.247   0.000   0.000
- 126.091 -30.437   0.000   0.000
- 117.870-140.462 123.443-129.968
- 126.922-159.872 122.317 -80.729
- 124.468 -72.070 121.461 -79.728
- 125.466 -22.321   0.000   0.000
- 125.625 -89.398 117.574 -59.687
- 118.517 131.977 118.593-125.854
- 121.705-176.819 116.592-118.873
- 119.045 -15.181 125.996-133.068
- 119.332   0.000 120.594 -79.969
- # 102 total E   -8.59102E+01 rmsd from N    0.000 %NC  0.00
- 117.614-140.063 152.618-151.684
- 122.695 -83.784 164.686 -12.669
- 128.235-160.502 153.907  15.490
- 122.656-159.204 162.593 -99.219
- 108.646  86.195 151.940-146.825
- 124.965 -63.477 153.076 151.633
-  92.223  76.774 147.927-109.742
-  92.750  68.087 138.630-104.870
-  93.410 142.749 141.463-116.499
-  94.823 112.087   0.000   0.000
- 132.178 -58.274   0.000   0.000
- 117.639 -38.258 116.902-120.646
-  92.688  90.869 115.233 -76.326
-  93.388  -0.022 113.355 -76.745
- 123.636 -28.461   0.000   0.000
- 129.344 -74.575 126.102-125.558
- 118.584-145.115 112.550-115.932
- 111.588  12.319 128.653-140.668
- 111.115 139.164 125.912-138.494
- 120.441   0.000 121.784 -82.837
- # 103 total E   -8.57478E+01 rmsd from N    0.000 %NC  0.00
-  93.608  45.444 143.146-128.677
-  92.647  79.138 148.898-133.673
- 124.731 166.758 164.815 168.182
- 121.983-169.585 164.134 -94.898
- 125.790-157.644 150.708-115.574
- 125.208 -72.438 146.796  -1.476
- 122.373-160.197 164.103-142.611
- 124.902-166.555 132.968-140.998
- 120.914 -74.288 151.086 -17.547
- 130.280 -65.855   0.000   0.000
- 126.178 -30.230   0.000   0.000
- 117.899-140.103 123.407-129.885
- 126.808-152.862 122.165 -80.707
- 126.647-169.232 150.618 -67.298
- 125.936 170.760   0.000   0.000
- 129.073-110.137 132.213 -46.847
- 119.706 121.984 119.158-126.261
-  92.882  51.394 107.408-117.873
- 116.614 153.108 121.333-128.762
- 120.428   0.000 120.435 -80.636
- # 104 total E   -8.50966E+01 rmsd from N    0.000 %NC  0.00
- 117.520-143.147 152.681-150.562
- 122.722-167.214 155.955-147.010
- 130.131-105.961 149.689 -10.768
- 120.982-123.678 160.114 -85.673
-  91.360  49.296 132.636-135.385
-  92.375  56.282 140.358 111.295
-  91.973  61.868 156.397-118.569
-  92.599  79.303 134.423-123.402
- 112.972-102.796 105.104 -77.307
- 130.400 -66.220   0.000   0.000
- 126.290 -28.991   0.000   0.000
- 117.868-139.622 123.831-130.413
- 126.673-150.114 150.769 -95.797
- 126.372-165.532 122.170 -79.818
-  95.193 121.804   0.000   0.000
- 118.069 153.165 118.639 -33.191
-  93.384  12.046 101.644-126.189
- 123.084-142.842 113.937-114.400
- 121.945 132.141 116.693-117.712
- 119.543   0.000 145.478-103.597
- # 105 total E   -8.50175E+01 rmsd from N    0.000 %NC  0.00
-  93.633  49.295 109.322 -80.160
-  92.550  91.615 162.099-124.813
- 121.018 129.761  93.613 -91.293
- 119.838 -79.143 169.714 171.404
- 127.368-159.004 145.626-123.099
- 121.729 172.087 132.737 -21.750
- 104.984 105.005 144.080-137.133
- 127.615 -91.678 135.905-149.315
- 118.992 -61.276 150.639 -18.889
- 121.153  -8.759   0.000   0.000
-  94.639  84.069   0.000   0.000
-  92.547 136.547  96.100-102.169
- 125.276 173.963 140.052 -30.732
-  94.491 120.480 116.443 -76.394
- 134.236 -77.507   0.000   0.000
-  93.336  82.187 117.679 -24.277
- 121.914-107.092 109.469-112.034
- 117.622-138.461 121.512-128.033
-  93.047  88.853 102.631-101.991
- 118.394   0.000 142.331-112.143
- # 106 total E   -8.49284E+01 rmsd from N    0.000 %NC  0.00
-  93.672  59.020 146.269 -19.116
-  92.669  80.477 152.516-156.718
- 125.895 173.879 166.575 156.633
- 121.505-158.171 170.322 177.358
- 118.808 -60.627 163.925-152.031
- 119.609 -77.813 132.063 -31.897
-  92.374  64.345 147.731-107.168
-  92.995  70.340 126.930-135.680
- 116.640-109.230 100.879 -87.012
- 117.029 178.352   0.000   0.000
- 138.441 -69.080   0.000   0.000
- 120.090-179.136 121.149-126.133
-  94.027  86.870 134.914-110.478
- 125.189-107.358 148.322 -79.670
- 120.923 179.631   0.000   0.000
- 129.831-108.228 141.061 -50.516
- 119.467 118.450 118.964-126.416
- 115.774  60.036 122.290-130.260
-  93.143  38.447  99.010-106.793
-  93.354   0.000 132.983-110.440
- # 107 total E   -8.49083E+01 rmsd from N    0.000 %NC  0.00
- 118.380-138.106 110.564 -80.486
- 123.160 -87.590 152.976-131.982
- 127.418-163.190 163.296 165.231
- 122.234 -83.006 172.511-167.038
- 122.541-160.580 151.799 161.364
-  93.019  70.708  94.192-144.415
-  91.953  74.314 145.087 -37.964
-  92.529  62.777 138.932-124.808
- 110.723-178.532 104.084 -84.927
- 134.736 -72.221   0.000   0.000
-  94.770  31.784   0.000   0.000
- 109.712 -82.621  93.807 -85.558
- 119.979 -24.956 120.301 -78.998
- 127.010-157.762 150.734 -68.664
- 135.357 -89.338   0.000   0.000
- 119.950 176.743 138.821 -99.775
-  93.232 122.919 102.209-124.245
- 122.399-175.111 114.073-115.217
- 119.405  -8.068 125.314-132.238
-  93.466   0.000 136.911-105.423
- # 108 total E   -8.39287E+01 rmsd from N    0.000 %NC  0.00
- 115.807-162.482 147.175 -62.196
- 125.897 -57.515 160.984-149.484
- 114.064  78.650 112.594 -80.283
- 120.487 -90.639 166.171-143.605
- 120.735-174.307 150.237-141.210
- 126.837 -69.641 108.607-146.335
- 121.295-155.449 155.074 -15.184
- 126.958 -91.918 136.596-146.715
- 121.420-168.072 149.344 -20.019
-  95.202  79.327   0.000   0.000
- 133.204 -66.169   0.000   0.000
- 118.146-176.290 126.543-132.866
-  94.021  85.586 115.256 -76.966
- 124.163 -83.547 122.106 -80.587
- 126.674 -10.928   0.000   0.000
-  93.896 156.989 143.144 -79.030
- 121.910-105.398 113.617-116.542
- 117.516-132.440 113.228-115.893
- 117.266-110.626 131.897-142.878
-  94.599   0.000 116.495 -77.381
- # 109 total E   -8.36141E+01 rmsd from N    0.000 %NC  0.00
- 118.763-117.812 109.038 -77.422
- 117.031  13.249 158.559 -20.419
- 112.841  81.172 157.324   8.042
- 123.367 -97.131 160.884-103.084
- 125.828-156.805 147.256-117.053
- 125.787 -74.007 145.911  -4.857
- 122.767-160.576 165.027-147.306
- 125.347-164.128 133.417-140.784
- 121.429-175.035 151.111 -17.171
- 135.185 -69.177   0.000   0.000
- 129.861 -67.050   0.000   0.000
- 116.262  24.170 124.909-132.935
- 123.536-116.279 120.882 -79.821
- 126.926-103.207 122.191 -80.196
- 124.578-174.264   0.000   0.000
- 129.105 -87.412 116.871 -56.077
- 117.816-107.782 119.008-125.855
- 117.930-132.370 111.823-112.980
- 117.163   8.713 128.179-137.454
-  93.383   0.000 115.924 -76.871
- # 110 total E   -8.35305E+01 rmsd from N    0.000 %NC  0.00
- 117.619-143.062 153.730-148.435
- 122.573-164.570 159.112  -7.650
- 131.695-102.836 160.986 169.936
- 119.403  99.498 136.799-112.720
- 120.467 -53.666 141.289-124.102
- 117.693-146.335 138.402  -7.285
- 125.012 -84.553 174.900  -3.742
-  93.825  93.070 132.108-121.099
- 121.720-134.396 106.763 -80.814
-  95.265  81.044   0.000   0.000
- 136.377 -62.623   0.000   0.000
- 117.562-135.223 123.884-130.840
- 128.065-144.037 124.288 -80.802
- 124.300 -86.467 149.070 -70.867
- 123.426-168.283   0.000   0.000
- 128.875 -93.780 119.118-124.960
- 119.786 131.552 118.016-124.671
- 123.778-173.057 110.945-110.792
- 118.454-110.126 124.309-131.817
-  94.594   0.000 116.476 -77.366
- # 111 total E   -8.34750E+01 rmsd from N    0.000 %NC  0.00
-  93.604  42.071 143.604-143.568
-  92.654 143.678 144.792 -32.298
- 129.610 -91.613 131.344-128.945
- 122.941-160.382 142.966 -80.738
- 126.496-168.930 148.653-136.910
- 128.303-174.799 109.486 -69.865
- 111.730 -59.558 138.861-104.880
- 117.716 -83.869 130.903-136.894
- 121.002 177.779 151.721 -17.229
- 136.179 -67.712   0.000   0.000
- 118.825 -13.003   0.000   0.000
- 113.902 124.912 127.145-137.662
- 127.958 -86.244 145.295 -62.788
- 123.500 -70.689 120.525 -79.707
-  95.538  48.188   0.000   0.000
- 125.485-155.176 143.903 -41.850
- 125.767 130.734 111.277-110.363
- 119.199-176.138 128.472-138.959
- 112.818 -14.572  97.791 -87.865
- 119.255   0.000 120.097 -80.024
- # 112 total E   -8.32563E+01 rmsd from N    0.000 %NC  0.00
- 118.360-137.390 146.473 -20.582
- 121.714 -52.672 155.920-142.298
- 112.817  80.052 167.176 166.116
- 124.649 -85.143 160.763 -92.959
- 121.593-163.106 150.473 179.526
-  92.986  74.366 152.675 130.035
-  91.955  66.882 142.850 -44.060
-  92.415  82.978 138.364-134.225
-  93.411  27.332 149.206 -28.335
- 125.238-162.742   0.000   0.000
- 133.960 -48.753   0.000   0.000
- 118.110-136.180 123.415-129.818
- 126.693-146.446 122.176 -80.678
- 126.239-153.057 123.876 -79.531
- 134.682 -80.694   0.000   0.000
-  93.385  79.907 130.947-140.938
- 120.806-106.695 114.201-119.368
- 118.195-137.543 112.975-114.959
- 116.290  -0.795 130.714-141.892
- 118.940   0.000 120.511 -79.807
- # 113 total E   -8.26304E+01 rmsd from N    0.000 %NC  0.00
- 118.045-111.907 153.462-156.037
- 124.823-152.545 151.989 -18.481
- 130.530 -57.432 160.971 167.221
- 115.831 -18.368 166.185-162.962
- 125.318-142.117 123.859 -32.221
- 128.568   5.990 133.112 141.775
- 115.551 -71.235 156.351-101.371
- 120.450 163.355 136.036-142.062
-  94.469 -62.788 148.805 -22.754
-  95.187  74.052   0.000   0.000
- 136.332 -68.198   0.000   0.000
- 118.421-131.797 124.004-130.357
- 132.688-148.133 150.011   9.108
- 133.008-144.843 156.638 -31.280
- 135.153 -87.934   0.000   0.000
- 124.576-112.452 140.710 151.804
- 117.858 120.386 122.576-136.406
- 116.175  92.119 121.634-128.754
- 118.325 160.750 122.272-130.088
- 120.334   0.000 145.234-109.679
- # 114 total E   -8.26002E+01 rmsd from N    0.000 %NC  0.00
- 117.525-141.867 152.412-151.520
- 121.939-169.629 166.169  -9.436
- 130.049 -79.763 166.273  13.423
-  94.238  70.645 138.489 -86.413
- 126.751 -72.362 135.756-120.932
- 115.973 171.816 142.747  -8.210
-  92.607  67.513 149.418 -45.286
- 116.980 163.493 121.109-127.486
-  94.745 165.517 144.461-129.347
- 135.346 -71.612   0.000   0.000
- 127.116 -30.483   0.000   0.000
- 117.949-138.234 123.790-130.340
- 126.928-146.268 151.087 -93.121
- 126.409-152.158 150.345 -66.616
- 134.920 -99.722   0.000   0.000
- 127.216-101.872 142.592 173.681
- 120.253 131.906 118.587-125.020
- 122.838-172.567 113.984-114.243
- 118.318-116.323 125.150-132.714
- 121.749   0.000 121.537 -80.528
- # 115 total E   -8.25536E+01 rmsd from N    0.000 %NC  0.00
-  93.659 106.318 146.783 -29.140
- 114.585 164.099 166.985-160.009
- 120.434  47.346 164.207 161.536
- 125.976 -57.309 164.853-160.959
- 106.240 -23.981 135.715-124.352
- 117.886 178.771 131.473 -25.552
- 107.769  75.741 136.689-138.664
- 115.892 157.495 114.860-107.682
-  94.756 164.820 143.970-145.580
- 135.591 -75.902   0.000   0.000
- 124.597-162.458   0.000   0.000
-  93.177  79.151 100.857-101.576
- 123.502-104.186 148.121 -95.853
- 125.013 -72.956 121.334 -79.816
- 126.233 -23.556   0.000   0.000
- 126.099 -80.235 141.064 -47.576
- 117.986-108.222 115.671-120.994
- 117.717-134.790 118.916-123.205
- 111.422  -0.140  98.191 -91.433
- 118.935   0.000 120.108 -80.004
- # 116 total E   -8.20369E+01 rmsd from N    0.000 %NC  0.00
-  93.732 122.040 142.116  -6.116
- 115.468-170.503 146.990 -89.179
- 129.987 -90.943 132.381-131.766
- 123.370-159.567 163.603 -83.468
- 122.276 178.193 155.084-147.191
-  93.953  88.182 128.145  -9.279
- 122.737 -90.287 159.091 -16.052
- 125.413-160.365 132.594-109.754
- 121.153-171.322 160.231-154.422
- 127.795-170.335   0.000   0.000
-  94.940  56.814   0.000   0.000
- 116.684-139.861 122.326-129.151
- 126.122-144.686 150.369 -92.569
- 127.080-101.764 122.269 -80.312
- 125.288-172.746   0.000   0.000
- 128.970 -79.930 142.336 -49.056
- 118.899-164.245 117.153-122.852
-  92.797  49.665 104.692-105.421
- 110.497-105.482  94.654 -95.082
-  94.547   0.000 116.480 -77.010
- # 117 total E   -8.20005E+01 rmsd from N    0.000 %NC  0.00
- 117.636-138.058 152.248-149.136
- 122.438-177.207 157.107-129.481
- 125.708 174.622 146.047-131.443
- 121.245 175.228 141.187 -76.612
- 113.308  91.387 139.944-137.961
- 128.686 -84.721 106.420-136.138
- 122.487-161.865 161.201 -14.457
- 125.564-163.107 135.140 151.745
- 121.504-173.815 150.690 -20.105
- 124.304 170.478   0.000   0.000
- 135.431 -79.108   0.000   0.000
- 117.269  25.665 124.228-131.364
- 121.494 -78.576 147.988 -82.475
- 126.083-170.093 150.154 -70.663
- 126.201 176.062   0.000   0.000
- 129.094 -79.302 142.908 -49.978
- 118.309-142.336 113.179-116.851
- 117.862 133.119 117.643-120.849
- 118.978 158.180 121.837-129.227
- 120.503   0.000 120.405 -80.436
- # 118 total E   -8.17362E+01 rmsd from N    0.000 %NC  0.00
-  93.618 116.677 142.740-132.919
- 120.647-164.949 150.074-133.679
- 130.283 -91.292 150.783  -0.877
- 123.549-151.163 161.610 160.266
- 121.273 -64.343 151.392-113.924
- 118.433  85.104 145.182 142.466
- 114.008 -53.516 153.016 -27.250
- 120.741 -76.795 140.593-119.494
- 122.089-168.854 111.894 -81.083
- 125.197  18.230   0.000   0.000
- 130.715 -48.802   0.000   0.000
- 114.438 -73.598  97.166 -90.204
-  93.519  77.312 115.118 -76.268
- 119.169 -87.051 121.140 -78.318
- 132.872 -37.854   0.000   0.000
- 126.248 -77.614 150.070-138.565
- 119.159 135.782 118.075-125.373
- 122.033-108.977 116.336-117.702
- 117.978-116.297 122.418-128.326
- 121.573   0.000 148.624-106.322
- # 119 total E   -8.15539E+01 rmsd from N    0.000 %NC  0.00
- 117.766-136.072 153.063-150.152
- 120.738 177.846 149.708 -13.438
- 120.877  -9.806 153.764 127.185
- 117.927 -94.548 164.266-120.446
- 122.884-170.270 155.876 144.185
- 124.978-160.037 104.335-148.764
- 121.724 -82.709 155.792 -20.568
- 125.457-157.968 142.585-129.632
- 121.233-174.972 151.669 -18.631
- 135.248 -70.612   0.000   0.000
- 129.802 -57.438   0.000   0.000
- 117.300 -88.828 123.766-130.748
- 124.270 -39.179 121.538 -80.062
- 127.091-160.657 150.551 -64.700
- 135.642 -87.624   0.000   0.000
- 119.756 177.968 134.923 -97.718
-  93.270 122.622 102.670-127.166
-  93.262 120.822 104.225-111.295
- 119.616-116.997 123.091-129.616
- 121.735   0.000 121.510 -80.548
- # 120 total E   -8.12510E+01 rmsd from N    0.000 %NC  0.00
- 118.571-123.552 148.700 -12.762
- 121.013 174.496 158.692-130.682
-  94.299  70.138 168.215  10.593
- 123.745-176.351 160.896 -72.214
- 119.976 170.009 139.488 134.648
- 118.510  33.928 138.936-133.130
- 112.620-159.579 155.668-124.412
- 126.900-159.471 138.872-144.751
- 119.298-161.061 151.435 -13.112
-  95.374  64.738   0.000   0.000
-  95.236  36.726   0.000   0.000
- 117.478-141.604 124.000-130.993
- 124.547-168.310 149.502 -95.012
- 126.639 179.598 149.960 -65.338
- 125.465 167.368   0.000   0.000
- 128.958-114.856 116.434 -79.953
- 120.752 128.481 118.214-124.773
- 121.343-109.649 131.089-140.591
- 122.722  15.688 111.975-110.905
-  93.379   0.000 115.882 -76.861
- # 121 total E   -8.11141E+01 rmsd from N    0.000 %NC  0.00
-  93.671 110.555 145.617 -25.753
- 116.247 -53.660 176.425-170.730
- 111.494  73.825 102.088 -83.208
- 128.131-105.921 154.924 -43.665
-  91.856  10.090 111.129 -88.720
- 128.827  91.177  91.884 -99.723
- 134.616-120.352 164.282-146.779
- 128.198 -87.937 138.812-149.730
- 123.108-170.281 144.456 -29.418
- 123.570  11.242   0.000   0.000
- 125.844 -53.323   0.000   0.000
- 118.334 110.720 124.444-130.995
- 128.395-114.350 117.673 -79.575
- 125.935 -80.606 121.610 -79.648
- 128.901 -30.012   0.000   0.000
- 126.847 -77.611 151.574-176.119
- 117.927-110.343 117.608-124.697
- 117.888-114.201 112.941-114.466
- 117.548-116.139 123.622-130.309
- 121.471   0.000 148.716-104.862
- # 122 total E   -8.07516E+01 rmsd from N    0.000 %NC  0.00
- 114.239 160.656 112.509 -79.009
-  92.810 104.003 153.751-136.494
- 131.259 -91.381 118.729 -81.901
- 123.954-175.272 127.015 -98.228
- 113.710 153.471 142.312 164.669
- 119.458 -45.926 149.323 144.931
-  91.683   6.648 144.035 -88.088
- 121.874 -77.601 125.550-118.420
- 123.617-172.497 163.389-146.648
- 122.064 176.247   0.000   0.000
- 137.688 -56.066   0.000   0.000
- 117.833 -69.605 109.510-111.984
-  93.206  81.280 137.125-110.945
- 116.806 -84.104 114.675 -79.858
- 133.107 -27.512   0.000   0.000
-  94.033 153.482 112.110 -19.093
-  93.161 121.942  99.717-113.050
- 116.130-175.752 139.737-156.665
-  93.503  24.787  96.618 -89.711
- 118.365   0.000 120.543 -79.380
- # 123 total E   -8.06514E+01 rmsd from N    0.000 %NC  0.00
-  93.606  21.572 144.129-132.827
- 115.315-172.613 164.776 -18.788
- 130.753 -92.469 164.562  12.173
- 122.832-151.052 164.958-135.587
- 126.772 -85.195 131.527 -22.642
- 123.469-160.632 156.304-173.896
- 122.738-168.723 160.120 -12.818
- 125.438-165.818 131.284-139.488
- 121.313-175.520 151.478 -17.321
- 135.430 -69.698   0.000   0.000
- 127.640 -30.349   0.000   0.000
- 118.039-139.056 123.842-130.384
- 126.715-151.179 150.918 -88.722
- 126.877-167.309 122.255 -80.210
- 126.624 176.194   0.000   0.000
- 129.283 -78.196 149.880  66.347
- 118.218-144.976 113.942-118.828
- 115.491  11.523 123.194-129.485
- 116.591-116.409 123.179-131.979
- 121.511   0.000 149.025-105.470
- # 124 total E   -8.05782E+01 rmsd from N    0.000 %NC  0.00
-  93.647 107.857 147.620 -27.287
- 113.843 162.570 148.190 -16.073
- 117.488  41.066 165.363 174.557
- 120.966 -94.833 138.298 -89.372
- 126.523-165.458 146.992-135.048
- 120.883 172.507 131.364 -22.016
- 111.323  95.113 146.194-141.970
- 126.674 -98.380 126.842-117.282
- 119.602-169.960 159.503-146.130
- 126.609  12.553   0.000   0.000
- 129.257 -41.326   0.000   0.000
- 117.801-139.093 123.512-130.099
- 127.084-147.055 122.260 -80.740
- 126.460-152.801 150.613 -67.240
- 134.966 -98.381   0.000   0.000
- 126.879-104.399 125.894 -51.673
- 120.073 132.793 118.561-124.973
- 122.315-111.112 116.550-117.988
- 120.608 113.047 121.543-125.434
-  93.452   0.000 115.186 -77.112
- # 125 total E   -8.05017E+01 rmsd from N    0.000 %NC  0.00
-  93.650  17.363 147.908 -31.447
- 117.960 -83.929 152.706-134.732
- 126.799-170.431 161.779 171.639
- 122.614-167.091 144.354 -85.871
- 126.322-165.984 133.941 -19.228
- 125.248-156.402 105.057 -70.489
- 122.849 -84.319 149.399-135.269
- 125.870-157.566 138.142-141.406
- 121.159-175.013 150.969 -17.882
- 135.413 -69.673   0.000   0.000
- 127.727 -31.056   0.000   0.000
- 118.016-138.408 123.596-130.038
- 126.555-149.011 150.866 -90.445
- 125.411 -90.256 119.268 -78.344
- 131.286 -78.223   0.000   0.000
-  93.495  83.555  59.543  86.746
- 118.887-106.394 115.759-121.770
- 118.343-136.122 111.170-112.187
- 117.956 129.413 123.566-130.557
- 119.645   0.000 119.890 -80.371
- # 126 total E   -7.99142E+01 rmsd from N    0.000 %NC  0.00
-  93.609  47.283 144.090-133.326
-  92.740 161.960 142.656 -33.540
- 119.982 164.267 118.700 -67.779
- 118.067 104.813 132.456-115.192
- 120.455 -87.546 118.810 -79.958
- 116.199-179.345 126.489 -31.256
- 110.788  94.581 137.091-142.839
- 126.954 -98.204 125.713-126.718
- 120.500-168.756 111.246 -80.941
- 126.366  15.332   0.000   0.000
- 128.341 -37.525   0.000   0.000
- 118.271-149.927 116.180-119.616
- 122.217 142.705 147.290-100.701
- 116.835 -82.668 116.429 -81.479
-  94.465  37.783   0.000   0.000
- 124.535 -77.717 142.518-167.767
- 117.950-148.594 113.647-118.578
- 114.284  11.613 126.554-136.329
- 114.987  -4.630 120.710-130.071
-  93.452   0.000 136.796-105.683
- # 127 total E   -7.97361E+01 rmsd from N    0.000 %NC  0.00
- 117.782-134.279 152.542-151.499
- 120.097 168.517 150.395 -14.875
- 117.427  46.810 109.564 -81.252
- 124.877 -60.611 167.267-161.068
- 113.264 -26.067 132.579 -29.208
- 123.553-155.283 104.315 -75.844
- 122.916-158.689 162.154 -20.327
- 126.969 -90.455 142.884-117.646
- 121.251-172.864 159.089-152.568
- 135.400 -69.415   0.000   0.000
- 127.855 -30.189   0.000   0.000
- 118.074-139.181 123.303-129.647
- 126.809-150.961 122.143 -80.678
- 126.741-167.647 150.768 -68.368
- 126.366 174.374   0.000   0.000
- 129.309 -84.944 139.748 -49.088
- 118.893-164.698 116.570-122.124
-  93.010  51.511 124.819-144.453
- 114.724 -24.752 123.123-132.485
- 119.480   0.000 148.007 -93.285
- # 128 total E   -7.85553E+01 rmsd from N    0.000 %NC  0.00
- 117.705-136.672 152.561-151.697
- 121.953-178.360 147.255 -21.747
- 123.054 176.967 115.598 -83.599
- 121.492-169.213 140.761 -87.241
-  92.000 -28.545 126.895-123.754
- 119.050-165.190 142.859 -18.993
- 117.702 107.057 162.581 -19.632
- 127.270-100.645 138.507-144.575
- 122.318-169.789 151.159 -18.968
- 126.971-171.742   0.000   0.000
-  94.963  59.489   0.000   0.000
- 117.384-141.553 121.110-127.156
- 126.210-153.178 121.937 -80.635
- 126.741-169.349 122.298 -80.170
- 125.956 171.188   0.000   0.000
- 129.156-108.343 128.471 -50.102
- 120.700 132.707 118.517-124.533
- 122.469-109.342 116.314-117.562
- 117.961-116.149 122.495-128.427
- 121.459   0.000 148.595-105.497
- # 129 total E   -7.82661E+01 rmsd from N    0.000 %NC  0.00
-  93.614  21.322 144.003-129.498
- 116.462-171.004 157.199-145.665
- 130.131 -88.754 150.610   1.589
- 121.165-175.955 134.415 -78.998
-  91.997  67.472 123.116-125.725
- 120.737 163.395 101.352-132.936
- 108.447  90.283 147.317-112.949
- 113.788 151.853 120.009-143.550
-  94.468 -64.084 148.991 -23.297
-  95.267 171.302   0.000   0.000
- 124.410  37.950   0.000   0.000
- 113.726  67.719  96.875 -89.555
- 122.547 -81.695 120.749 -79.857
- 123.643 -68.608 148.502 -68.719
- 127.214 -23.763   0.000   0.000
- 126.716 -79.491 143.128-174.214
- 117.937-110.342 117.540-124.258
- 117.890-114.010 113.021-114.612
- 117.587-110.528 123.514-130.129
-  94.599   0.000 116.456 -77.371
- # 130 total E   -7.82443E+01 rmsd from N    0.000 %NC  0.00
- 118.618-128.337 111.092 -79.900
- 119.906 174.909 165.872 -11.034
-  94.952  85.085 173.047-173.302
- 120.954 -78.450 136.834 -76.865
- 119.940-174.126 141.397 -32.824
- 121.941-172.520 102.741-147.744
- 122.983-174.308 169.165 168.807
- 128.924  83.158 136.888-140.683
-  94.290 -52.063 145.452-150.540
- 120.530  -7.836   0.000   0.000
- 107.644 -16.763   0.000   0.000
- 108.406 120.484 128.266-142.507
- 131.789-107.556 125.114 -84.746
- 128.332-158.904 154.385 -67.695
- 135.360 -85.133   0.000   0.000
- 120.269-176.023 121.090 -80.081
-  93.263 116.124 100.841-129.510
-  92.862  51.952 107.954-118.905
- 117.924 -24.853 118.277-124.369
- 119.470   0.000 147.567 -97.708
- # 131 total E   -7.81848E+01 rmsd from N    0.000 %NC  0.00
-  93.610  45.748 143.575-132.835
-  92.565  82.515 147.593 -38.367
- 114.226 137.543 159.330  12.582
-  94.019  58.141 138.460 -95.528
- 119.211-136.247 145.370-154.158
- 127.766 -81.066 137.804 140.566
- 122.423-155.021 160.343-130.709
- 127.107 -92.601 135.055-146.609
- 121.764-168.656 111.780 -80.397
- 126.235  14.043   0.000   0.000
- 128.808 -39.520   0.000   0.000
- 117.862-140.838 123.888-130.518
- 126.683-160.603 151.010 -93.360
- 124.631 -71.978 121.437 -79.324
- 125.324 -22.546   0.000   0.000
- 126.287 -98.614 136.289 -34.304
- 119.244  24.524 122.254-130.263
-  93.471  55.281 104.115-115.569
- 124.515 -19.742 116.123-116.948
-  93.481   0.000 113.362 -75.819
- # 132 total E   -7.81002E+01 rmsd from N    0.000 %NC  0.00
-  93.648  36.508 147.951 -29.660
-  92.637 130.915 139.932 -36.991
- 130.240 -89.628 104.598 -81.726
- 124.552-152.040 140.886 -80.012
- 110.209 -20.790 140.730 140.886
- 119.250-102.140 102.675 -84.405
- 120.925 162.283 144.718-154.092
-  93.131  99.203 137.428-120.727
-  95.202 -86.412 108.808 -83.969
- 126.111   0.364   0.000   0.000
- 129.276 -23.120   0.000   0.000
- 124.393 130.656 119.879-121.152
- 123.548 -89.965 121.144 -78.213
- 128.848-160.212 121.069 -80.006
- 137.814 -92.759   0.000   0.000
- 133.171 -95.295 133.930 159.470
- 118.069  46.316 119.644-128.167
- 117.477 144.415 114.669-119.769
- 119.697 -27.312 128.261-137.853
- 119.633   0.000 120.641 -80.152
- # 133 total E   -7.80575E+01 rmsd from N    0.000 %NC  0.00
-  93.675 118.068 147.451 -24.938
- 118.344-166.585 149.549 -19.599
- 130.402 -93.093 166.283 166.093
- 123.952-154.938 158.585 -69.165
- 122.063 -68.055 153.476-160.083
- 113.047  74.416 107.989-129.779
-  92.488  93.300 146.357 -37.458
- 124.559 -94.938 144.590-179.624
- 121.375-173.542 110.316 -81.102
- 135.545 -69.874   0.000   0.000
- 127.975 -30.939   0.000   0.000
- 118.053-139.434 123.293-129.644
- 126.932-157.370 122.216 -80.698
- 124.441 -72.603 147.377 -61.947
- 124.756 -19.156   0.000   0.000
- 124.251 -93.252 141.172 162.796
- 116.612  29.736 122.572-132.696
-  93.217 111.464 103.580-113.424
-  93.174 129.233 101.297-112.622
- 119.381   0.000 133.843-137.274
- # 134 total E   -7.69356E+01 rmsd from N    0.000 %NC  0.00
- 117.727-134.956 152.572-151.004
- 121.374 173.563 158.929-154.607
- 119.438 114.728 154.780   5.632
- 122.830-102.445 133.890 -88.142
- 127.076-148.031 148.897 137.327
- 127.011-101.740  87.086 -86.373
- 122.909-163.863 150.485-152.984
- 126.282 -79.583 176.467-126.322
-  93.624  29.578 139.306-112.245
- 136.604-151.820   0.000   0.000
- 131.365 -32.807   0.000   0.000
- 113.669 -32.357 120.670-127.982
-  92.537  92.450 134.489-149.185
-  92.863  -3.893 111.285 -77.381
- 116.975 -59.702   0.000   0.000
- 125.884-139.941  81.084 -97.153
-  93.129 109.173 125.606-150.109
-  92.888  52.612 102.839-105.435
- 111.796-100.965  92.733 -93.710
-  94.455   0.000 115.861 -75.654
- # 135 total E   -7.63815E+01 rmsd from N    0.000 %NC  0.00
- 114.127 159.378 107.072 -80.605
-  92.522  96.990 152.353-153.783
- 112.189   6.241 169.244 165.335
- 104.280 -81.085 133.193 -93.278
- 110.700 137.087 125.303  12.780
- 116.016  28.590 141.586-140.514
- 117.227 -91.706 153.792-121.586
- 125.739-162.975 124.120-121.960
- 120.929-174.218 161.653-154.327
- 125.237 169.509   0.000   0.000
- 136.257 -71.739   0.000   0.000
- 123.390 160.314 116.399-116.788
-  94.182 105.298 135.273-114.375
-  94.702  10.243 115.110 -77.169
- 132.604 -33.668   0.000   0.000
- 123.555 -68.759 142.429-167.792
- 118.072-143.463 113.351-117.378
- 115.669 134.641 117.732-122.175
- 118.960-105.803 121.353-128.783
-  94.548   0.000 116.410 -77.235
- # 136 total E   -7.63437E+01 rmsd from N    0.000 %NC  0.00
- 117.569-141.256 152.543-151.772
- 122.338-169.019 152.416 -17.101
- 130.152 -93.695 100.465 -87.645
- 122.213-151.943 139.121 -83.687
- 125.877 -83.472 151.450 158.308
- 124.087-158.829 154.623-166.547
- 122.716-158.189 159.536 -13.085
- 126.928 -90.309 136.327-147.754
- 121.626-169.118 111.823 -80.477
- 126.323  13.444   0.000   0.000
- 129.124 -40.308   0.000   0.000
- 117.808-138.946 123.939-130.641
- 126.759-144.034 151.054 -91.276
- 127.031-101.392 121.300 -79.969
- 124.781-172.136   0.000   0.000
- 129.031 -74.665 138.914 169.510
- 118.193-144.484 113.796-118.560
- 115.400  12.241 123.018-129.370
- 114.978  -4.867 123.922-133.896
-  93.437   0.000 115.769 -76.839
- # 137 total E   -7.60035E+01 rmsd from N    0.000 %NC  0.00
- 117.591-140.152 152.414-147.914
- 122.806-173.865 160.929-142.865
- 127.846-175.486 166.584 169.481
- 121.345 -98.131 167.067-130.908
- 125.958-174.136 150.471-135.087
- 118.237 -51.863 142.436   0.906
-  91.984  -0.969 146.585 -98.171
- 127.133 -93.775 138.884-131.743
- 123.840-175.059 152.097 -16.107
- 123.230 170.372   0.000   0.000
- 136.171 -62.842   0.000   0.000
- 117.921-135.953 126.981-135.889
- 126.932-151.948 152.382 -71.119
- 125.378 -77.320 120.711 -79.933
- 122.715  -3.716   0.000   0.000
- 118.993-177.277 138.507 -53.501
- 120.187 139.319 120.779-129.143
- 122.544-108.988 114.057-113.609
- 117.930-116.240 123.233-129.934
- 121.727   0.000 121.531 -80.521
- # 138 total E   -7.54889E+01 rmsd from N    0.000 %NC  0.00
- 118.544-131.483 111.008 -80.327
- 120.821 176.611 171.699  -9.321
- 114.301 111.443 165.851  19.489
-  93.737  83.917 124.788-112.469
-  91.961 -25.233 104.535-101.240
- 122.190-146.705 138.481 -27.113
- 122.843-155.095 157.169-162.840
- 127.612 -90.245 149.517-168.569
- 121.174-173.188 159.676-147.012
- 135.174 -70.365   0.000   0.000
- 129.727 -57.289   0.000   0.000
- 117.240 -87.729 123.881-131.005
- 123.399 -36.102 150.066 -82.706
- 127.752-164.510 122.413 -80.607
- 126.249 178.317   0.000   0.000
- 128.977 -76.247 143.686 -50.671
- 118.350-143.932 111.792-114.348
- 112.106  12.746 124.175-133.384
- 111.216 141.513 124.914-137.173
- 119.686   0.000 138.693-121.220
- # 139 total E   -7.53560E+01 rmsd from N    0.000 %NC  0.00
-  93.611  44.730 143.873-133.217
-  92.530 148.634 140.553 -24.924
- 113.760  38.166 169.483-179.561
- 119.260-146.456 165.085-179.217
- 129.277 -72.323 138.453  63.241
- 114.982 -16.631 147.576   8.999
- 108.135 138.605 155.909-130.448
- 119.486 -67.432 127.756-116.634
- 111.822 -61.746 150.245 -20.719
- 126.850-166.788   0.000   0.000
- 134.112 -61.631   0.000   0.000
- 118.034 -73.260 111.639-114.010
-  93.096  84.507 115.743 -76.194
-  94.120  25.953 111.630 -77.023
- 132.567 -42.008   0.000   0.000
- 122.022  85.532 129.765-114.099
- 122.977-107.766 112.527-116.167
- 118.213-133.459 113.565-115.885
- 115.942 120.528 133.093-145.420
-  93.497   0.000 115.287 -77.100
- # 140 total E   -7.52183E+01 rmsd from N    0.000 %NC  0.00
- 118.679-124.500 110.384 -79.175
- 122.197-168.702 161.276-142.247
- 131.093 -93.858 159.787 169.568
- 122.903-150.240 139.365 -94.514
- 126.743 -86.827 144.655-116.512
- 119.220 179.344 135.206 -24.405
- 109.181  89.452 154.953 -34.176
- 127.067 -99.838 126.140-119.080
- 117.655 -74.805 158.228-141.817
- 131.140 -66.462   0.000   0.000
- 126.454 -30.636   0.000   0.000
- 117.804-138.966 124.048-130.828
- 126.689-143.510 150.985 -85.663
- 126.825-102.861 120.380 -79.838
- 123.397-174.921   0.000   0.000
-  93.449  82.156 116.618-165.784
- 123.422-107.158 114.185-117.794
- 118.307-135.917 112.813-114.788
- 117.803  -0.236 126.060-133.303
- 118.946   0.000 120.489 -79.948
- # 141 total E   -7.48382E+01 rmsd from N    0.000 %NC  0.00
- 118.073-148.092 143.417 -24.482
- 119.967 173.778 162.471-149.050
- 122.581 113.119 161.956 161.691
- 122.865 -99.325 138.419 -77.289
- 126.555-161.696 147.226 -68.412
- 122.575-168.899 132.736 -42.215
- 123.228-160.038 148.217-158.782
- 126.702 -90.263 145.817-118.174
- 120.996-173.365 159.494-151.302
- 137.402 -58.747   0.000   0.000
-  94.825  85.959   0.000   0.000
- 113.949 -30.945 118.114-125.194
-  93.356  86.504 136.949-105.084
-  93.191   6.194 112.382 -78.058
- 119.751-116.501   0.000   0.000
- 126.797 -77.526 142.334 -49.872
- 118.084-144.984 113.337-117.703
- 115.627  11.509 122.906-129.250
- 116.640-110.361 123.365-132.285
-  94.601   0.000 116.530 -77.500
- # 142 total E   -7.48301E+01 rmsd from N    0.000 %NC  0.00
- 118.526-132.081 111.298 -81.008
- 122.790 -84.725 164.065 -13.109
- 126.073-172.141 154.020  -4.399
- 122.333-168.527 142.381 -90.474
- 125.815-165.996 156.237-168.314
- 125.088-156.637 103.673 -72.710
- 122.861 -83.209 150.504-135.861
- 125.498-157.851 126.146-117.243
- 121.213-170.810 161.472-155.680
- 127.713-169.923   0.000   0.000
-  95.067  72.542   0.000   0.000
- 119.839 165.732 119.521-123.554
-  93.939  93.835 114.951 -76.804
- 126.106-106.776 118.886 -80.572
- 121.355-178.597   0.000   0.000
- 129.716-103.312 134.139-152.230
- 120.597 131.915 119.526-125.424
- 110.755-176.265 100.583 -95.191
- 119.257 143.645 124.708-133.000
- 119.871   0.000 145.400-102.240
- # 143 total E   -7.45246E+01 rmsd from N    0.000 %NC  0.00
- 118.352-141.716 144.634 -20.873
- 121.093 172.372 176.442-154.009
- 121.190  40.317 149.310 137.678
- 118.842 -68.151 166.639-174.628
-  92.199 -26.618 103.290 -83.837
-  93.403 135.173  88.515 -88.965
-  92.042  97.561 150.049 156.922
-  92.497  16.594 125.350 138.834
- 105.859 -98.860 149.526 -20.905
- 115.595 179.963   0.000   0.000
- 135.540 -66.926   0.000   0.000
-  92.599  60.368 105.650-109.862
-  93.498  56.629 111.027 -75.396
-  93.739 123.932 113.620 -79.381
- 134.437 -49.997   0.000   0.000
- 113.495  81.324 120.634  31.534
-  93.165 131.399  98.980-120.887
- 121.059-174.861 125.514-133.004
- 113.095  -7.939  97.664 -85.467
-  93.441   0.000 115.599 -76.870
- # 144 total E   -7.43963E+01 rmsd from N    0.000 %NC  0.00
-  93.618  20.466 143.907-132.166
- 117.592 -88.643 149.084 -26.061
- 120.397-179.085 110.328 -85.795
-  94.005  71.868 163.176-125.560
-  91.829  20.169 129.915-100.730
- 114.757  78.323 102.145-127.033
- 116.214 -78.819 155.959 -28.661
- 124.416-166.914 139.368-131.663
- 120.731 -74.007 152.554 -17.866
- 130.569 -66.076   0.000   0.000
- 126.056 -30.104   0.000   0.000
- 117.875-140.533 123.894-130.563
- 126.553-160.209 150.824 -91.387
- 124.514 -72.365 148.810 -70.264
- 125.594 -22.012   0.000   0.000
- 125.518 -90.390 141.710-151.330
- 118.152 121.782 118.681-126.572
- 116.290  90.341 120.153-127.283
-  93.095 127.429 100.757-110.798
- 119.873   0.000 120.251 -82.002
- # 145 total E   -7.43962E+01 rmsd from N    0.000 %NC  0.00
- 117.538-143.611 152.688-151.009
- 123.256 -88.702 153.289-132.705
- 126.766-173.135 162.258 173.545
- 122.511-174.728 156.197 -57.327
-  92.152 -48.008 114.416 -41.974
- 119.646-163.105 144.792-116.894
- 119.727 -73.313 172.543-157.141
-  93.622 -15.389 135.471-123.447
- 124.854-158.760 111.715 -81.235
- 123.860 170.666   0.000   0.000
- 133.812-134.809   0.000   0.000
-  93.373  80.441 100.634-100.859
- 125.014 -89.947 148.565-100.527
- 126.539-169.213 149.467 -55.220
- 125.785 175.930   0.000   0.000
- 129.396 -79.554 139.357-167.463
- 118.301-142.813 113.352-117.636
- 118.840 132.281 118.765-121.620
- 111.508 158.292  98.665 -96.894
- 120.347   0.000 146.521-108.237
- # 146 total E   -7.41063E+01 rmsd from N    0.000 %NC  0.00
-  93.609  39.310 144.074-132.198
-  92.670 134.727 138.693 -31.527
- 129.998 -95.500 106.170 -92.163
- 125.064-162.472 164.813 -93.177
- 120.606 -81.675 153.332-137.171
- 119.014 -77.725 133.399  26.068
- 124.713-156.421 171.342  -6.723
- 129.945 -99.666 134.924-153.172
- 114.089  12.776 107.048 -80.357
- 126.621  -7.407   0.000   0.000
-  94.066  67.808   0.000   0.000
-  90.910  54.918  95.308-100.380
-  92.108  54.947 120.371-105.948
-  93.339  73.957 112.206 -78.387
- 129.851 -39.452   0.000   0.000
- 111.672  84.446 118.703 -49.421
- 127.143-156.882 109.897-107.018
- 115.194 133.011 116.040-121.468
- 119.978 158.213 118.666-123.386
- 120.558   0.000 120.502 -80.410
- # 147 total E   -7.40871E+01 rmsd from N    0.000 %NC  0.00
-  93.636  39.281 109.868 -81.179
-  92.423 131.412 152.526-143.076
- 117.120  17.171 168.493 170.712
- 118.760 -95.799 162.912-148.220
- 126.140-163.662 150.910 -63.588
- 120.167 179.982 126.174 -35.339
- 107.405  87.525 141.405-141.846
-  93.202  98.476 111.467-132.199
- 117.673-106.592 111.532 -86.503
- 122.814-178.523   0.000   0.000
- 134.506 -76.996   0.000   0.000
- 109.144  25.081  97.506 -90.583
- 117.536 -75.053 119.501 -79.354
- 124.872-163.281 149.372 -66.202
- 135.240-108.611   0.000   0.000
- 125.760 -78.092 142.068 -48.690
- 118.002-145.910 113.698-118.193
- 117.455  12.144 118.852-122.234
- 115.543  -4.836 122.453-131.891
-  93.430   0.000 115.748 -77.067
- # 148 total E   -7.38607E+01 rmsd from N    0.000 %NC  0.00
-  93.620  10.081 144.146-132.735
- 112.325 162.988 146.275 -20.466
- 117.720  -4.941  99.025 -87.368
- 117.356 -98.353 167.328-100.763
- 122.987-166.982 154.175 161.781
- 126.515 -70.610 103.969-146.719
- 121.793-159.610 155.006 -15.759
- 124.698-163.992 124.231-121.050
- 121.226-174.419 161.448-159.391
- 135.928 -62.597   0.000   0.000
- 128.249 -25.037   0.000   0.000
-  92.589  72.420 102.152-104.932
-  93.002  59.455 113.535 -76.865
-  93.871  31.557 115.030 -79.180
- 119.035  74.445   0.000   0.000
- 126.813 -73.588 138.756-155.972
- 118.306-144.725 113.636-118.301
- 114.109  11.640 124.217-131.865
- 116.288-116.474 123.297-132.278
- 121.529   0.000 149.115-105.219
- # 149 total E   -7.37950E+01 rmsd from N    0.000 %NC  0.00
-  93.622 119.472 143.624-132.073
- 120.370 -92.861 151.271-137.501
- 123.939-178.817 150.771 -11.249
- 122.928-179.356 135.291 -88.054
- 123.566-175.669 154.542 147.673
- 129.451 -61.397 106.429-132.384
- 123.706-151.389 176.434-159.784
- 126.418 -81.630 140.306-147.810
-  93.807   2.301 143.446-119.264
- 130.183  87.044   0.000   0.000
- 131.239 -61.384   0.000   0.000
- 116.483 -78.017 123.304-130.560
-  93.603  59.173 136.461-106.587
- 122.565 176.914 147.052 -49.228
-  94.914  80.615   0.000   0.000
- 127.149 -82.673 136.692 -51.027
- 119.089 134.165 116.512-123.176
- 122.652-176.278 113.261-114.435
- 118.807 143.542 125.838-133.520
- 120.052   0.000 120.214 -80.206
- # 150 total E   -7.32330E+01 rmsd from N    0.000 %NC  0.00
-  93.611 106.788 142.248-110.042
- 115.113 168.252 158.736-136.522
- 129.732 -81.610 105.885 -98.644
- 118.552  -7.057 160.164 -83.135
-  91.966  79.026 124.128-123.900
- 116.601  14.157 106.316-140.487
-  92.929  69.761 140.867 -95.683
- 120.540 163.310 131.365-133.088
- 118.683 -74.358 160.132-156.356
- 123.191-169.073   0.000   0.000
- 135.669 -68.584   0.000   0.000
- 119.917 106.715 122.446-127.315
-  93.932  19.839 114.461 -76.373
- 126.959-146.762 121.684 -80.630
- 134.495-101.893   0.000   0.000
- 126.853-103.178 125.669 -52.140
- 119.853 131.141 118.722-125.365
- 122.126-176.673 115.901-117.493
- 119.242 -15.123 125.418-132.188
- 119.307   0.000 120.561 -79.974
- # 151 total E   -7.30762E+01 rmsd from N    0.000 %NC  0.00
-  93.638  47.143 109.575 -81.042
-  92.756 162.891 154.061 -35.006
- 130.012 -94.043 155.679  18.311
- 124.434-102.244 133.600 -72.476
-  92.012  17.510 130.652-152.545
- 121.033  77.904  99.908 -75.281
-  92.493 -57.474 144.040 -36.193
- 120.188-174.475 131.180-111.390
- 122.607 -76.240 160.406-166.677
- 129.758 -59.943   0.000   0.000
- 123.460 -24.798   0.000   0.000
- 117.764-138.410 123.984-130.748
- 126.550-146.023 151.321 -89.573
- 130.116 -62.597 122.915 -80.642
- 130.221  79.038   0.000   0.000
- 128.756 -94.018 141.410-159.584
- 123.725 133.716 118.266-122.418
- 122.244-175.943 113.907-114.527
- 118.915 138.298 125.771-133.364
-  93.590   0.000 113.225 -74.778
- # 152 total E   -7.30302E+01 rmsd from N    0.000 %NC  0.00
-  93.613  49.870 146.380-139.533
-  92.421 100.455 149.514-109.776
- 113.080   1.589  93.548 -96.249
- 113.362 -95.244 164.230 -43.658
- 124.128-165.704 140.026 129.145
- 120.678  26.515 106.226-143.982
- 120.291 -82.173 158.214 -11.628
- 130.324-155.587 158.346-150.970
-  93.751  17.735 143.550-117.628
- 132.386-110.744   0.000   0.000
-  94.776  77.817   0.000   0.000
- 113.969  69.314 121.855-130.139
- 126.151 -77.791 120.784 -78.455
- 124.099 -61.923 145.383 -72.067
- 123.782  -6.601   0.000   0.000
-  93.701 152.370 162.294  19.039
- 132.073 142.879 119.541-119.670
- 124.513 147.894 102.204-102.877
- 121.939 -26.693 120.315-124.917
- 119.683   0.000 120.846 -79.955
- # 153 total E   -7.28863E+01 rmsd from N    0.000 %NC  0.00
- 118.580-131.616 110.643 -80.432
- 121.279 173.150 160.519-151.847
- 118.666 115.029 157.667   5.225
- 124.437-118.249 156.082 -72.599
- 121.291 -73.711 150.505 172.668
- 119.573-162.236 129.135 -39.461
- 122.572-172.801 145.129-148.417
- 124.740-173.384 128.517-112.918
- 120.406 -74.354 158.480-155.075
- 123.542-170.328   0.000   0.000
- 133.922 -80.108   0.000   0.000
-  93.247  51.718 101.042-101.345
- 123.158 -75.055 136.939 -16.824
- 121.632 -59.922 120.293 -77.907
- 132.741 -64.285   0.000   0.000
-  93.440  80.932 124.252 -32.125
- 118.212-105.576 113.835-120.363
- 118.068-136.690 112.811-114.631
- 119.241  -0.750 121.937-126.342
- 118.864   0.000 146.960 -98.119
- # 154 total E   -7.25175E+01 rmsd from N    0.000 %NC  0.00
-  93.614  18.159 143.979-129.676
- 117.653-176.949 159.243-141.318
- 126.553-178.151 168.171 170.884
- 120.146 -83.223 169.721-175.104
- 124.203-161.593 149.964-145.152
- 126.455 -71.867 101.374-137.248
- 121.352-158.625 159.668 -91.084
- 125.229-164.601 138.702-125.161
- 122.225 -68.708 112.088 -81.833
- 125.843 -25.497   0.000   0.000
- 130.300 -69.024   0.000   0.000
- 108.946  16.814  97.695 -90.674
-  93.688  91.371 115.175 -76.826
-  93.569 143.022 112.298 -77.069
- 124.542 166.447   0.000   0.000
- 128.112 -80.988 135.499-155.337
- 118.030-147.045 113.825-118.658
- 116.731  11.108 125.983-132.784
- 116.544-116.281 124.746-135.374
- 121.750   0.000 121.613 -80.536
- # 155 total E   -7.16926E+01 rmsd from N    0.000 %NC  0.00
- 117.592-154.380 145.500 -26.126
- 121.952-172.940 161.195-141.782
- 129.220-169.012 158.889 171.064
- 122.372 -90.881 143.332 -86.683
- 126.928-156.682 148.294-145.038
- 123.825-155.682 138.033  -0.105
- 121.609 -77.332 158.079-168.406
- 125.794-156.173 148.024-113.072
- 120.383-173.631 157.316-135.470
- 124.892 171.226   0.000   0.000
- 135.616 -60.957   0.000   0.000
- 118.065-136.510 123.765-130.283
- 126.587-154.158 150.992 -89.980
- 125.377 -74.743 120.731 -79.168
- 127.019 -35.161   0.000   0.000
- 112.546  83.317 127.409 -34.274
- 122.661-165.461 113.001-115.893
- 119.198-109.649 113.566-114.539
- 117.723-116.254 123.616-130.430
- 121.723   0.000 121.547 -80.543
- # 156 total E   -7.15895E+01 rmsd from N    0.000 %NC  0.00
-  93.610  46.764 143.448-129.954
-  92.682 161.767 153.994-138.018
- 125.704 169.020 162.218 179.760
- 122.237 171.672 160.247 -55.779
-  92.012  70.718 129.743-132.319
- 117.855 155.471 132.602 -14.573
- 107.224 108.975 144.477-138.505
- 124.755 -81.160 128.639-133.865
- 116.884-166.194 110.088 -81.068
- 137.087-169.697   0.000   0.000
- 128.159 -23.275   0.000   0.000
- 115.757 -33.645 122.390-129.433
-  93.000  95.007 115.387 -76.417
-  93.763  -5.055 111.278 -76.973
- 129.108 -43.580   0.000   0.000
- 120.852  87.648 120.444 -99.082
- 124.416-163.864 110.978-113.396
- 109.302 138.682 102.581-100.074
- 119.389-116.590 118.203-124.977
- 121.735   0.000 121.493 -80.557
- # 157 total E   -7.08325E+01 rmsd from N    0.000 %NC  0.00
- 117.098-148.951 148.591-110.330
- 116.411  13.188 153.318 -21.485
- 113.023  82.620 167.229 164.666
- 124.251-117.510 115.052 -60.309
- 120.626 -78.486 145.360-169.168
- 116.708-179.910 107.938 -66.488
-  92.710  69.283 126.778-123.849
- 121.853 166.701 126.497-136.277
- 120.663-177.012 150.893 -18.868
- 134.907 -74.377   0.000   0.000
- 130.650 -40.464   0.000   0.000
- 118.062-142.916 123.586-130.053
- 119.304 118.701 119.481 -79.912
-  94.859  24.134 116.013 -76.555
- 140.603 -10.066   0.000   0.000
-  94.067 157.536 120.412 157.303
- 120.164-105.131 122.147-130.098
- 117.949-118.565 111.105-112.319
- 117.757-110.582 123.880-130.722
-  94.597   0.000 116.522 -77.211
- # 158 total E   -7.08193E+01 rmsd from N    0.000 %NC  0.00
- 118.346-137.568 110.082 -80.903
- 119.703 174.353 144.199 -31.734
- 120.950 170.676 131.800-121.381
- 124.741 -83.464 161.822-118.702
-  92.310 107.306 111.892 -27.590
- 127.925 -46.444  97.010 -95.463
-  93.214 118.979 147.329 -35.382
- 132.085 -97.444 174.937 -70.748
- 127.478 -53.233 110.278 -81.657
-  94.960  91.524   0.000   0.000
-  94.485 161.592   0.000   0.000
- 129.158 176.760 121.728-121.774
- 125.513-168.622 120.337 -82.979
-  94.377  13.546 116.148 -76.451
- 135.425-127.578   0.000   0.000
- 128.104 -87.310 142.399 142.858
- 120.964 135.364 118.435-124.811
- 122.505-113.467 114.703-115.313
- 121.607   5.834 120.141-123.160
- 118.646   0.000 146.255-103.088
- # 159 total E   -6.99818E+01 rmsd from N    0.000 %NC  0.00
- 117.941-143.620 150.488 -20.611
- 122.280-168.278 152.901 -17.672
- 130.348 -91.600 104.805 -90.426
- 122.208-171.126 143.139 -81.500
- 113.929 100.599 131.021  -1.844
- 128.824 -98.027  94.155 -84.857
- 123.966-158.983 149.999-164.002
- 126.731 -91.226 169.950-177.764
- 121.880-171.742 151.499 -18.841
- 124.898 171.503   0.000   0.000
- 135.588 -59.884   0.000   0.000
- 118.048-136.581 123.761-130.278
- 126.620-150.575 150.850 -92.297
- 126.889-168.478 122.295 -80.243
- 125.954 171.069   0.000   0.000
- 129.359-109.352 143.340  74.061
- 119.957 118.250 118.411-125.402
- 115.685  58.453 122.532-131.166
- 111.618-116.318  97.692 -99.612
- 121.474   0.000 148.293-103.846
- # 160 total E   -6.99498E+01 rmsd from N    0.000 %NC  0.00
- 117.663-138.845 152.607-148.864
- 122.541-176.828 160.701-145.242
- 126.874 173.074 162.255 176.725
- 122.230 166.172 159.984 -47.051
-  91.962  55.752 129.332-133.824
- 123.615-147.564 154.316 127.060
- 123.887 -89.447 166.649-161.532
- 125.643-158.647 123.437-123.977
- 121.031-175.122 163.174-156.277
- 135.278 -70.710   0.000   0.000
- 129.730 -57.319   0.000   0.000
- 117.239 -87.471 123.887-130.959
- 123.203 -35.538 149.957 -81.589
- 127.565-164.907 122.363 -80.451
- 125.467 172.832   0.000   0.000
- 129.364-107.966 142.905  75.877
- 120.030 121.017 118.253-125.186
- 117.129  92.253 120.779-127.740
- 118.459 160.718 122.562-130.419
- 120.629   0.000 120.487 -80.524
- # 161 total E   -6.99195E+01 rmsd from N    0.000 %NC  0.00
- 117.840-140.620 154.927-139.989
- 116.665  26.209 154.186 -18.533
- 112.788  84.904 100.010 -80.850
- 119.467 -60.070 126.670 -92.856
- 113.069 -33.167 140.359 -33.004
- 121.888-160.365 140.279 -25.659
- 122.593-169.307 139.161-148.762
- 124.850-171.061 146.919-132.865
- 121.048 -69.532 151.768 -18.802
- 124.061-165.318   0.000   0.000
- 134.593 -52.002   0.000   0.000
- 116.842-135.897  96.663 -86.758
- 126.830-146.150 122.181 -80.312
- 126.559-152.433 122.404 -80.212
- 134.937 -98.243   0.000   0.000
- 126.721-103.495 129.826 -49.015
- 119.810 132.096 118.544-125.179
- 119.509 153.469 120.457-125.597
-  93.145 121.024 102.150-102.316
- 119.181   0.000 138.915-126.796
- # 162 total E   -6.96619E+01 rmsd from N    0.000 %NC  0.00
-  93.634  98.090 109.162 -81.541
- 113.385 173.764 160.583-136.001
-  93.353  75.219 120.672 -38.993
-  93.163  90.476 123.114-104.819
-  91.175  -5.134 103.137-104.129
- 106.567 -90.892 158.775   3.403
- 120.575-171.590 153.465-166.672
- 125.563-168.641 160.130-131.341
- 121.778-172.107 168.205-161.426
- 136.816 -57.750   0.000   0.000
-  94.626  68.310   0.000   0.000
-  92.832 105.775  97.146-101.513
- 125.266 -96.999 143.485-126.479
- 125.935-164.021 150.359 -63.336
- 123.928  29.081   0.000   0.000
- 127.482-105.886 142.534-145.743
- 119.517  23.860 121.148-129.028
- 117.472  53.293 121.070-128.243
- 120.216 149.069 122.438-128.911
-  93.730   0.000 115.617 -77.462
- # 163 total E   -6.96466E+01 rmsd from N    0.000 %NC  0.00
- 117.735-135.311 152.531-149.664
- 119.612 168.197 147.664 -19.298
- 114.664  42.357 140.169-117.985
- 119.908-146.084 134.291 -87.226
- 126.200 -86.534 151.848 163.289
- 121.736-153.123 133.728 -10.521
- 121.057 -77.887 157.158-164.644
- 124.323-165.565 139.887-129.493
-  95.228 -54.692 108.849 -83.139
- 124.573-161.052   0.000   0.000
- 134.009 -47.928   0.000   0.000
- 118.138-136.248 123.250-129.557
- 126.732-143.324 122.186 -80.694
- 126.976 -99.658 122.262 -80.197
- 125.321-171.252   0.000   0.000
- 128.693 -74.318 144.068 -51.954
- 118.210-144.840 113.110-117.314
- 115.540  11.547 122.949-129.355
- 116.575-116.358 123.294-132.215
- 121.746   0.000 121.605 -80.583
- # 164 total E   -6.94885E+01 rmsd from N    0.000 %NC  0.00
-  93.629  44.938 109.856 -82.687
-  92.769 171.959 143.775-135.994
- 130.563 -71.413 145.940 132.123
- 120.173-167.507 116.290 -87.638
- 107.098  78.193 131.956-138.326
- 127.942 -57.551 136.695  42.209
-  92.998 109.301 149.052-103.780
- 127.661-104.053 124.036-128.804
- 124.038 -75.483 149.572 -23.040
- 127.721 -12.654   0.000   0.000
-  95.124 162.518   0.000   0.000
- 118.551 -25.064 130.741-141.142
-  94.891 -17.273 115.362 -76.323
- 139.510-156.531 126.071 -82.747
- 130.820 -79.229   0.000   0.000
-  93.193  79.235 128.680-138.922
- 121.557-166.311 113.688-119.876
- 119.469-109.757 113.555-114.055
- 117.735-110.908 123.541-130.324
-  94.659   0.000 137.302-117.060
- # 165 total E   -6.92875E+01 rmsd from N    0.000 %NC  0.00
- 118.824-117.060 110.003 -76.218
- 120.151 175.006 161.812-148.177
- 122.665 114.069 161.187 166.427
- 123.430-100.029 159.784 -80.309
- 127.079-158.126 148.441-147.704
- 123.864-157.073 136.196  -6.399
- 120.584 -76.827 157.446-166.771
- 125.355-158.878 140.070-129.286
- 121.354-173.402 112.947 -82.882
- 124.383 169.299   0.000   0.000
- 133.808-132.748   0.000   0.000
-  93.345  78.512 100.625-100.747
- 124.045 -87.318 148.627 -92.708
- 124.517-171.244 121.296 -78.550
-  95.037  77.634   0.000   0.000
- 125.229 -76.312 138.958-154.857
- 118.104-157.176 114.858-120.407
- 115.190  48.376 130.604-141.821
- 116.069 -17.842 124.256-133.425
-  93.491   0.000 115.844 -76.906
- # 166 total E   -6.90137E+01 rmsd from N    0.000 %NC  0.00
- 117.723-134.685 152.527-151.201
- 120.268 169.158 160.441-157.567
- 117.553  42.013 155.531   2.197
- 122.274-121.132 162.388 -99.592
-  92.079  64.561 132.459-134.659
- 124.964-175.544 105.230 -72.280
- 122.239-169.385 152.507-158.225
- 124.647-169.078 125.054-114.161
- 121.027 -69.337 151.773 -18.874
- 124.066-164.962   0.000   0.000
- 134.557 -51.887   0.000   0.000
- 118.125-135.917 123.834-130.357
- 126.660-147.998 151.200 -82.603
- 125.690 -79.618 121.591 -79.798
- 132.568 -62.391   0.000   0.000
-  93.825  61.765 135.672-123.918
-  93.659 128.991  96.292-120.019
- 124.763-108.366 120.694-123.253
- 117.944-116.227 120.780-125.889
- 121.747   0.000 121.495 -80.571
- # 167 total E   -6.89717E+01 rmsd from N    0.000 %NC  0.00
-  93.650  56.933 148.680-162.787
-  92.739  32.192 149.847-149.933
- 115.689  82.132 154.010   4.364
- 121.931-107.423 160.173-116.868
-  92.171  75.127 133.420-131.682
- 119.042 141.950  95.774 -75.360
- 124.019 -92.602 169.951  -5.422
- 126.346-159.221 138.703-125.893
- 121.134-169.441 111.854 -78.674
-  95.204  77.962   0.000   0.000
- 132.863 -66.133   0.000   0.000
- 118.694-179.693 123.816-129.792
-  94.133  94.747 135.029-116.938
- 127.006-107.720 119.873 -81.163
- 133.442 -82.344   0.000   0.000
-  93.549  80.742 111.841  21.173
- 112.817-107.701  92.268-102.048
- 117.975-139.818 115.763-119.702
- 115.647  -1.563 134.393-148.069
- 118.885   0.000 147.494 -92.543
- # 168 total E   -6.88063E+01 rmsd from N    0.000 %NC  0.00
- 117.712-136.780 152.477-151.750
- 122.018-177.618 150.446 -19.899
- 124.334 175.368 111.636 -81.107
- 122.758 175.171 162.159-146.012
- 113.692 101.171 126.691   1.627
- 128.192 -94.021  95.547 -99.188
- 123.728-157.232 151.379-163.093
- 127.350-105.083 158.748 164.514
- 121.617 -70.919 151.652 -19.145
- 124.976-164.634   0.000   0.000
- 134.483 -45.199   0.000   0.000
- 118.292-144.870 121.040-125.837
-  94.064  95.651 135.997-114.356
- 126.346-110.872 118.843 -80.649
- 122.346 178.955   0.000   0.000
- 118.562  38.563 132.560-157.090
- 120.851-108.454 117.790-123.005
- 118.039-118.884 112.452-114.004
- 117.263 115.355 125.870-133.550
-  93.466   0.000 115.103 -77.188
- # 169 total E   -6.73471E+01 rmsd from N    0.000 %NC  0.00
- 114.115 160.507 110.307 -84.558
-  92.171  90.294 147.900 -42.706
-  93.229  63.283 164.333  15.166
-  92.690  78.848 133.227-102.368
-  91.257  17.810 113.291 -59.434
- 111.440 -86.761 155.425  21.908
- 123.026-157.124 156.721-153.746
- 127.085 -92.096 117.889-101.011
- 122.072-172.048 111.312 -82.579
- 124.735 171.798   0.000   0.000
- 135.359 -70.063   0.000   0.000
- 117.389 -88.067 123.586-130.413
- 122.780 -44.868 114.788 -77.535
- 123.680 -61.826 151.381 -71.438
- 124.706  -7.634   0.000   0.000
-  93.724 141.387 143.465 -30.689
- 121.612  32.980 115.261-118.961
-  93.417  54.695 105.608-118.992
- 123.372-107.647 112.704-113.744
-  94.573   0.000 116.819 -77.431
- # 170 total E   -6.70943E+01 rmsd from N    0.000 %NC  0.00
- 117.128-151.337 151.814-141.143
- 119.593   9.900 156.559-144.294
- 112.563  79.837 166.797 163.129
- 123.491-101.308 159.265 -88.621
- 119.347 167.285 151.103 157.295
- 119.279  38.999 138.401 -11.459
-  92.701 139.088 145.988 -41.653
- 123.482 -88.449 128.288-113.015
- 120.915-168.888 159.374-151.128
- 126.327  13.907   0.000   0.000
- 128.894 -39.040   0.000   0.000
- 117.826-140.045 123.970-130.679
- 126.783-152.192 151.162 -92.760
- 126.950-167.152 122.968 -78.887
- 124.676 171.626   0.000   0.000
- 129.623-106.413 131.790-145.022
- 120.903 131.805 117.640-122.681
- 121.887-172.374 118.930-122.243
- 115.028-115.988  98.144 -89.745
- 121.476   0.000 149.118 -93.097
- # 171 total E   -6.65781E+01 rmsd from N    0.000 %NC  0.00
- 118.105-143.316 148.934 -18.881
- 123.024 -86.507 153.795-134.060
- 127.449-167.899 163.102 172.604
- 124.328-152.758 159.953 -32.371
- 119.693 -67.938 139.408  -5.483
- 120.354-152.742 134.603 -96.331
- 123.323 -88.727 153.065-137.536
- 126.361-161.014 139.482-128.439
- 120.441-175.250 111.055 -79.248
- 125.520 168.793   0.000   0.000
- 135.014 -78.277   0.000   0.000
-  93.234  53.550 100.513-100.140
- 124.450-123.757 148.390 -94.928
- 125.284-156.126 149.838 -70.466
- 135.137-101.777   0.000   0.000
- 127.142-105.420 142.710 172.137
- 119.064 120.852 118.867-126.305
- 117.461  92.453 120.852-127.586
- 119.752 -31.965 120.078-125.789
- 119.901   0.000 119.381 -81.288
- # 172 total E   -6.54384E+01 rmsd from N    0.000 %NC  0.00
- 118.523-133.479 110.707 -80.250
- 122.324-172.412 162.912-156.748
- 129.089 -82.085 152.109   3.508
- 110.236 -56.104 140.721 -83.486
- 119.843-166.295 146.895 165.197
- 126.663 -71.668 105.054-145.265
- 121.779-160.044 156.520 -15.156
- 124.716-166.624 131.995-138.665
- 120.950 -74.491 151.552 -17.752
- 130.328 -66.775   0.000   0.000
- 126.213 -30.670   0.000   0.000
- 117.844-138.833 124.217-131.027
- 126.908-149.706 134.886  -3.949
- 125.288 -73.282 151.577 -67.957
- 125.964  -3.571   0.000   0.000
-  93.804 141.764 110.482   7.254
- 117.932  81.944 115.233-120.761
- 122.008-176.547 114.513-116.691
- 119.281 143.646 128.124-136.881
- 120.066   0.000 120.216 -80.282
- # 173 total E   -6.48471E+01 rmsd from N    0.000 %NC  0.00
- 118.047-142.086 149.959 -19.525
- 122.735 -86.324 154.385 -18.872
- 127.202-166.983 163.537 174.720
- 123.470-146.160 137.475 -62.136
- 119.463 -68.115 133.868 -21.210
- 120.354-157.470 126.822 -49.242
- 123.432-157.735 143.306-150.018
- 126.822 -91.103 145.055-125.953
- 121.919-171.656 111.570 -81.483
- 124.597 169.425   0.000   0.000
- 136.149 -73.786   0.000   0.000
- 122.576 108.946 120.355-122.815
- 126.802 -97.596 150.218 -83.874
- 126.284-163.429 150.268 -62.718
- 134.148 -54.874   0.000   0.000
- 112.704  84.136 116.103  33.442
- 122.244-165.623 113.711-116.797
- 119.199-109.725 115.116-116.760
- 117.721-116.244 123.013-129.307
- 121.743   0.000 121.527 -80.558
- # 174 total E   -6.39923E+01 rmsd from N    0.000 %NC  0.00
- 115.844-171.633 151.565 -10.064
- 121.375 -97.715 148.194-136.123
- 124.952 -50.337 163.395-148.463
- 120.851 164.805 140.447 -94.256
- 105.771   2.933 143.843 144.137
- 120.950-112.283 147.378-120.380
- 125.180 -78.509 161.228-112.504
- 120.681 -26.849 169.937   5.786
- 126.059-160.889 154.975  -0.099
- 135.121 -63.329   0.000   0.000
- 122.392 -38.968   0.000   0.000
- 107.042   3.030 138.790-155.015
- 122.920 -82.051 147.961-123.972
- 122.663-164.451 147.704 -40.589
-  93.037 141.430   0.000   0.000
- 127.385-101.020 119.464 -74.719
- 119.054-163.355 119.235-127.704
-  90.008 113.891 105.876-104.822
-  90.155  19.639  97.989-103.219
-  91.674   0.000 114.393 -77.155
- # 175 total E   -6.39799E+01 rmsd from N    0.000 %NC  0.00
-  93.656  10.664 146.971 -29.415
- 112.843 165.623 158.858-141.082
- 115.570  42.059 155.761  -0.210
- 120.169-170.845 159.276 -68.878
- 123.312-178.719 144.143 138.889
- 122.528 170.289 102.496-139.800
- 114.237 105.203 150.086-100.467
- 126.903-105.418 131.633-146.011
- 120.948 -68.537 149.619 -20.036
- 126.132-157.157   0.000   0.000
-  94.879  54.666   0.000   0.000
- 116.940-141.819 121.872-128.425
- 126.267-154.006 121.992 -80.637
- 126.568-169.588 150.636 -66.402
- 125.936 170.998   0.000   0.000
- 129.131-109.079 138.885 -41.759
- 120.295 120.927 118.782-125.495
- 116.926  92.319 121.260-128.532
- 118.392 160.704 122.644-130.512
- 120.367   0.000 145.541-107.946
- # 176 total E   -6.39770E+01 rmsd from N    0.000 %NC  0.00
- 117.691-140.298 152.894-150.567
- 123.290 -85.130 158.445-144.179
- 126.542-166.949 111.724 -83.374
- 122.502-162.094 135.940 -89.623
- 126.333-154.647 148.981-137.330
- 126.845 -81.584  95.641 -86.636
- 122.053-156.121 144.107-174.404
- 129.612-106.619 154.815 172.874
- 121.412-167.065 111.829 -81.447
- 136.913 -67.737   0.000   0.000
-  95.759  16.372   0.000   0.000
- 120.557-140.644 121.677-125.851
- 125.405-159.638 150.636 -95.345
- 124.535 -73.381 121.609 -80.482
- 127.547 -49.115   0.000   0.000
-  93.722 134.874 124.030-140.495
- 117.678  76.773 122.130-130.336
- 123.820-177.179 117.325-120.104
- 122.086 147.493 125.648-130.199
- 119.729   0.000 116.380 -79.588
- # 177 total E   -6.39271E+01 rmsd from N    0.000 %NC  0.00
-  93.618 115.920 144.016-133.964
- 118.467-166.643 149.301 -19.622
- 130.422 -92.137 161.315 167.664
- 122.574-173.924 165.019-124.175
- 114.271  95.807 153.610-115.148
- 127.654-107.490 138.025 -13.704
- 114.029  68.499 147.243 -33.412
- 118.268 157.828 135.015-115.687
- 119.138 -87.424 111.238 -77.407
-  95.541  63.442   0.000   0.000
- 139.642 -88.013   0.000   0.000
- 125.709 115.872 119.108-119.247
- 129.825-105.534 121.780 -80.858
- 128.436-167.304 122.908 -79.102
- 125.123 173.023   0.000   0.000
- 120.731  41.106 126.083-145.509
-  93.245 120.058 100.773-123.452
-  92.967  50.744 104.726-120.183
-  93.264  50.430  94.020-102.607
-  93.324   0.000 109.848 -79.499
- # 178 total E   -6.23068E+01 rmsd from N    0.000 %NC  0.00
- 115.059 161.084 139.016  -9.868
-  92.621  99.561 150.315-132.899
- 131.311 -97.335 162.662 170.323
- 122.189-164.946 160.827 -81.235
-  92.371 -40.399 132.679-131.589
- 122.035-167.540 139.201 -32.225
- 106.564  68.440 152.710 -31.647
-  93.707 152.383 120.495 -92.301
- 118.561-173.692 113.991 -85.238
- 128.788-170.624   0.000   0.000
- 133.706 -47.644   0.000   0.000
-  92.590  57.581 103.037-104.704
-  92.873  16.120 113.889 -76.634
- 114.969 -98.436 117.146 -75.066
- 128.492 -88.809   0.000   0.000
- 121.648  17.524 136.402 172.381
-  93.566 121.367 101.166-105.030
- 130.817-176.751 105.070 -98.948
-  93.132  51.852 102.023-108.465
-  93.335   0.000 114.988 -77.225
- # 179 total E   -5.95947E+01 rmsd from N    0.000 %NC  0.00
-  93.637  47.685 109.612 -80.975
-  92.722 161.941 155.084-140.167
- 123.154 168.301 151.724  -0.790
- 122.550 178.428 163.510-123.952
- 115.923 155.130 157.555-133.832
- 120.191  32.590 134.037-133.168
- 114.866-136.053 156.913-127.677
- 128.044-112.946 144.200 160.117
- 121.074 -71.353 159.595-147.372
- 124.880-165.355   0.000   0.000
- 134.623 -50.411   0.000   0.000
- 118.183-137.347 123.267-129.545
- 126.630-154.647 122.200 -80.668
- 125.300 -75.222 120.850 -79.103
- 127.749 -36.214   0.000   0.000
- 112.691  83.625 117.078  33.114
- 122.550-165.668 112.249-114.376
- 117.867 135.612 118.362-122.660
- 119.146 -29.036 121.943-128.973
- 119.715   0.000 120.661 -80.014
- # 180 total E   -5.87020E+01 rmsd from N    0.000 %NC  0.00
- 117.946-149.911 111.204 -79.981
- 123.945-142.683 174.973  -1.827
- 136.770 -61.366 154.501  20.845
-  93.852  74.404 130.348-103.402
-  92.057  74.425  82.282 -75.882
- 126.841-123.157 137.536  40.623
- 122.815 124.035 159.462 -14.645
-  92.841 -23.707 141.061-139.879
-  91.428 -57.573 137.802-100.180
-  93.475  53.592   0.000   0.000
- 125.937-137.205   0.000   0.000
- 122.607   3.538 113.541-119.908
-  94.260  85.928 114.303 -78.476
- 119.872 -95.643 118.277 -79.713
- 126.549 -78.163   0.000   0.000
-  93.453  35.575  91.372  65.826
- 119.300  52.718 120.279-128.183
- 126.506 148.456 112.173-111.587
- 120.367 150.288 129.914-139.515
-  93.724   0.000 115.309 -75.883
- # 181 total E   -5.81117E+01 rmsd from N    0.000 %NC  0.00
-  93.616 113.076 143.686-137.329
- 118.280 -49.575 160.515 -18.205
- 113.603  81.732 157.410   5.359
- 126.326 -94.111 161.422 -92.751
- 126.540-159.737 148.673-152.056
- 124.582-156.813 153.724-123.900
- 122.796 -83.434 172.262-150.212
- 125.722-158.057 136.761-124.892
- 121.418-174.614 111.383 -79.690
- 135.251 -69.392   0.000   0.000
- 129.526 -66.858   0.000   0.000
- 115.964  25.765 125.230-133.609
- 122.176 -88.535 148.159 -76.705
- 125.469 -69.539 149.123 -69.832
- 126.787 -21.094   0.000   0.000
- 125.565 -90.475 141.465-150.708
- 117.818 121.914 118.682-126.763
- 116.074  90.674 120.154-127.398
-  93.093 127.515 100.660-110.773
- 119.878   0.000 120.312 -82.041
- # 182 total E   -5.77056E+01 rmsd from N    0.000 %NC  0.00
-  93.612  47.797 143.408-132.337
-  92.795-177.920 164.519-146.288
- 134.657 -64.347 154.948 164.849
- 124.752 -56.857 163.803 166.650
-  92.036  11.442 126.516-102.046
- 117.351  81.845 155.796  11.267
-  92.408 -41.798 148.341 -37.679
- 120.946-172.954 122.077-107.478
- 122.385 -66.412 113.396 -82.841
- 120.609  72.499   0.000   0.000
- 133.510 -63.514   0.000   0.000
- 117.797-137.797 123.531-130.147
- 127.012-146.696 122.261 -80.696
- 126.127-154.892 150.334 -62.051
- 135.061 -82.086   0.000   0.000
-  93.387  82.411 128.697-143.019
- 123.230-165.394 112.266-114.879
- 118.894 137.274 117.624-120.696
- 119.267-116.558 122.033-129.176
- 121.482   0.000 148.532-103.803
- # 183 total E   -5.55548E+01 rmsd from N    0.000 %NC  0.00
-  93.655  19.708 147.336 -29.670
- 116.421-170.645 148.836 -20.753
- 130.483 -92.554 160.851 169.130
- 122.401-174.569 165.730-141.910
- 115.189  97.010 123.395  38.384
- 126.240-140.390 176.450 149.014
- 122.238 -78.971 158.086-171.792
- 123.009-159.914 135.288-134.137
- 123.914-171.742 151.598 -22.578
- 133.451 -62.288   0.000   0.000
-  94.934  68.572   0.000   0.000
- 113.643  67.717 123.263-132.234
- 127.898 -84.102 122.081 -80.594
- 123.234 -72.856 121.024 -79.517
- 123.198-164.298   0.000   0.000
- 129.118 -69.920 148.129 -72.572
- 118.355-146.621 109.520-113.691
- 116.766  48.241 122.170-128.293
- 116.764 -23.648 123.534-132.439
- 119.547   0.000 120.707 -79.850
- # 184 total E   -5.50448E+01 rmsd from N    0.000 %NC  0.00
- 117.710-149.597 149.409 -22.439
- 120.473  11.623 158.083-147.980
- 113.087  81.920 103.688 -85.643
- 125.034-116.026 121.697 -58.164
- 122.256 -80.805 131.228 -29.372
- 121.042-159.952 126.669 -50.275
- 123.727-168.815 145.989-150.888
- 124.702-169.066 140.927-110.448
- 120.923 -74.507 151.621 -18.980
- 130.245 -66.594   0.000   0.000
- 126.038 -30.253   0.000   0.000
- 117.849-140.001 123.987-130.698
- 126.810-158.999 151.023 -86.920
- 124.370 -71.982 149.147 -67.659
- 124.393 -18.060   0.000   0.000
- 126.524-102.191 106.970 -55.833
- 118.040  10.911 122.839-131.905
- 119.293-138.493 112.132-114.448
- 117.833-117.018 125.437-132.620
- 121.857   0.000 122.034 -81.076
- # 185 total E   -5.47084E+01 rmsd from N    0.000 %NC  0.00
- 118.476-123.979 158.023-149.682
- 127.856-103.522 152.240 -11.101
- 127.023 -89.777 115.173 -83.835
- 120.058 -70.488 165.075 176.122
- 123.578 -61.544 150.663-146.643
- 121.777  79.522 104.101 146.770
- 119.639 176.153 155.906 -16.372
- 123.091-171.520 137.992-125.995
- 123.352 -67.302 111.111 -77.035
- 122.099  70.184   0.000   0.000
- 130.190 -67.244   0.000   0.000
- 113.465 105.295 125.800-136.001
-  93.760 115.571 124.168   2.650
-  94.053 116.786 115.440 -77.407
- 133.962 -75.173   0.000   0.000
-  93.635 146.972 151.405 -46.239
- 127.154 146.711 115.989-117.577
- 121.896-108.982 119.770-122.665
- 117.780-116.264 125.263-132.796
- 121.452   0.000 149.035-103.684
- # 186 total E   -5.46250E+01 rmsd from N    0.000 %NC  0.00
-  93.639 111.778 109.830 -82.173
- 118.687-167.852 158.558-149.428
- 130.110 -91.222 150.695   2.809
- 122.184-150.567 127.081 -73.925
- 112.369   2.569 138.381 -14.822
- 116.335  85.485 161.809-152.903
-  92.717  59.089 147.729 -35.177
- 123.509-111.231 161.061 -78.469
- 121.697-179.611 111.191 -81.811
- 135.453 -71.768   0.000   0.000
- 122.936 -28.157   0.000   0.000
- 114.732-142.985  97.107 -87.988
- 129.080-175.592 122.563 -78.752
-  93.872  38.697 116.157 -76.456
- 127.411-167.580   0.000   0.000
- 116.508  38.059 138.898-160.089
- 117.464 139.287 116.652-123.593
-  92.896  48.387 107.122-117.271
- 116.481-116.552 123.609-132.142
- 121.743   0.000 121.574 -80.625
- # 187 total E   -5.43004E+01 rmsd from N    0.000 %NC  0.00
-  93.670  10.306 147.359 -30.798
- 114.146 166.756 151.755-128.543
- 119.844 113.849 109.811 -91.264
- 123.423-115.961 121.886 -60.493
- 121.557 -78.168 145.459-175.308
- 121.913-158.138 126.571 -47.809
- 123.484-157.504 147.905-149.011
- 126.880 -91.181 142.973-124.703
- 121.939-171.750 111.563 -81.470
- 124.861 171.541   0.000   0.000
- 135.589 -60.549   0.000   0.000
- 118.012-135.560 123.792-130.333
- 126.746-148.473 150.939 -91.199
- 125.230 -82.487 121.296 -79.046
- 130.803 -69.879   0.000   0.000
-  93.410  78.821 129.550-142.434
- 122.661-156.028 111.660-114.531
- 114.889   9.877 123.046-130.464
- 116.390-116.404 123.346-132.372
- 121.763   0.000 121.591 -80.566
- # 188 total E   -5.38892E+01 rmsd from N    0.000 %NC  0.00
-  93.645 114.354 109.115 -80.953
- 119.549 -85.443 162.633 -16.004
- 126.698-169.328 154.181  -3.859
- 121.997-155.849 142.229 -87.580
- 124.655 -78.050 153.807 161.315
- 121.408-159.238 132.994 -24.319
- 123.123-158.010 154.156-158.571
- 126.884 -90.907 142.608-139.011
- 121.213-173.789 110.720 -82.566
- 139.457 -66.008   0.000   0.000
-  95.223  78.538   0.000   0.000
- 120.166 -34.187 115.339-118.100
-  93.182  77.490 114.918 -76.048
-  93.610 -19.074 110.827 -78.035
- 122.184  68.647   0.000   0.000
-  93.583 134.658 110.904  17.411
- 116.137  82.051 128.522-142.467
- 122.898-112.610 115.050-115.364
- 121.458 113.662 121.559-125.108
-  93.457   0.000 114.329 -77.316
- # 189 total E   -5.36159E+01 rmsd from N    0.000 %NC  0.00
-  93.612  18.698 143.968-132.412
- 118.576 -95.335 150.079 -25.554
- 123.750 173.422 167.345 161.997
- 117.713 100.895 166.670-129.018
- 125.370 -97.273 136.903 -97.109
- 115.769 171.229 141.162 -15.409
-  92.602  64.521 132.065-151.238
- 121.664-166.412 119.027-115.725
- 121.189-173.762 113.113 -80.770
- 135.885 -60.252   0.000   0.000
-  94.865  80.430   0.000   0.000
- 115.899  73.765 116.850-122.384
- 123.310 -90.674 120.619 -80.205
- 125.010 -71.485 121.173 -79.459
- 125.611 -19.235   0.000   0.000
- 124.503 -93.282 144.132-157.188
- 117.007  29.709 122.666-132.380
-  93.241 110.207 121.315-140.883
- 121.049  66.091 115.024-118.246
- 118.474   0.000 120.217 -80.403
- # 190 total E   -5.27576E+01 rmsd from N    0.000 %NC  0.00
- 117.993-144.421 149.053 -20.366
- 122.513-168.000 159.033-149.142
- 130.165 -89.300 151.679   3.320
- 122.004-173.999 132.425 -67.780
-  91.957  67.668 121.486 -66.298
- 125.676-174.225 146.957 144.060
- 121.431-170.598 156.965 -15.878
- 124.921-168.634 134.031-124.104
- 118.868 -67.163 109.699 -77.472
- 115.406  -6.168   0.000   0.000
- 121.546 -61.679   0.000   0.000
- 113.439  25.043 126.634-137.136
- 113.864 -75.442 117.115 -78.005
-  93.708  60.635 115.788 -76.256
- 135.231-173.630   0.000   0.000
- 115.305  39.376 145.508-104.229
- 119.241 141.147 118.002-125.340
- 122.451-175.735 121.075-124.831
-  93.253  24.785 100.973 -98.146
- 118.519   0.000 119.977 -80.215
- # 191 total E   -5.19929E+01 rmsd from N    0.000 %NC  0.00
- 118.113-146.505 108.437 -80.760
- 122.429-178.705 160.400-154.344
- 119.305 154.310 155.064  -9.898
- 125.278 101.136 161.456-162.053
- 122.517 -70.272 139.780 -82.228
- 119.489  73.559 145.327 143.094
- 115.496 -87.502 152.114 -27.173
- 119.759-173.350 134.545-114.826
- 119.490 -71.098 114.734 -77.813
- 119.330  -5.168   0.000   0.000
- 129.075 -53.472   0.000   0.000
- 119.634 -80.602 116.194-118.569
-  93.418  98.086 145.792 -48.599
- 121.264 -37.544 118.598 -81.618
-  95.504 164.580   0.000   0.000
- 130.053-103.743 146.497 -96.462
- 120.581 122.988 116.516-122.631
- 117.499  96.901 120.464-125.835
- 117.408  64.138 123.941-133.066
-  93.345   0.000 115.463 -77.051
- # 192 total E   -5.14210E+01 rmsd from N    0.000 %NC  0.00
- 117.556-142.640 152.721-150.977
- 123.257 -87.551 153.278-133.248
- 127.453-163.563 164.710 165.878
- 121.938 -84.943 170.715-176.161
- 125.005-166.131 138.491 -44.706
- 120.697 175.184 100.521-139.320
- 112.134  79.735 151.113-117.424
- 122.500 176.431 122.728-139.191
- 120.704-175.155 151.522 -18.062
- 124.596 170.803   0.000   0.000
- 135.575 -60.970   0.000   0.000
- 118.027-135.499 123.351-129.760
- 126.827-144.826 122.062 -80.609
- 126.489-146.383 144.889 -16.643
- 133.451-100.371   0.000   0.000
- 120.965  22.976 138.069 -76.391
-  93.618 121.629 101.004-123.136
- 125.138-113.113 107.395-104.134
- 120.225 124.522 123.833-130.034
- 119.277   0.000 142.802-108.810
- # 193 total E   -4.80626E+01 rmsd from N    0.000 %NC  0.00
- 117.526-142.883 152.647-148.785
- 122.662-168.593 160.748-143.994
- 130.846 -91.578 162.542 164.776
- 123.475-154.081 140.736 -89.676
- 125.155-152.792 150.212-134.692
- 127.662 -73.851 143.565 146.049
- 122.095-161.326 163.333-135.644
- 124.281-168.385 120.725-128.429
- 121.015 -70.521 162.107-157.406
- 123.857-167.677   0.000   0.000
- 135.615 -70.383   0.000   0.000
- 122.878 109.323 120.696-123.092
- 127.922 -92.847 122.144 -79.355
- 129.916 -59.561 120.099 -80.400
- 122.301  80.773   0.000   0.000
- 126.877 -92.958  97.848-116.033
- 114.571  39.867 122.346-133.473
- 112.950 140.996 119.147-127.809
- 118.996 -27.787 128.871-138.808
- 119.517   0.000 146.372-100.352
- # 194 total E   -4.66793E+01 rmsd from N    0.000 %NC  0.00
-  93.730 119.076 142.702  -4.402
- 114.601-177.938 151.601 -97.899
- 128.511 -78.081 130.485-129.674
- 108.207 -49.859 166.999-136.016
- 122.493-170.166 134.966 -29.178
- 123.902-161.786 108.123-136.154
- 122.441 -81.468 168.634-141.528
- 124.789-162.412 128.787-115.781
-  96.606 173.336 146.711-124.683
- 135.635 -67.434   0.000   0.000
- 127.645 -28.343   0.000   0.000
- 121.393 118.191 121.948-125.709
- 127.193 -96.650 121.286 -80.597
- 127.159-167.011 122.695 -78.940
- 124.313 171.790   0.000   0.000
- 123.855  42.342 128.427-145.384
-  93.601 118.566 101.310-123.097
- 118.457  89.324 117.422-123.192
- 118.233 156.120 122.254-130.102
-  93.807   0.000 115.514 -77.357
- # 195 total E   -4.29527E+01 rmsd from N    0.000 %NC  0.00
-  93.620 112.340 144.307-134.087
- 109.929 150.595 136.734 -36.085
- 115.914  35.635 108.116 -86.264
-  94.445  77.202 173.952-179.613
- 106.441 138.587 149.605-139.836
- 116.021 -43.995  91.933 -66.222
-  91.696  12.139 134.349 -50.864
- 128.009 -73.466 115.964 -95.788
-  94.044  62.890 143.068-124.891
- 137.347 -50.342   0.000   0.000
- 127.564 -55.913   0.000   0.000
- 116.874 110.462 126.448-134.923
- 129.326-114.087 117.687 -81.368
-  95.495 126.834 116.179 -76.154
- 137.255 -92.235   0.000   0.000
- 129.473-105.075 118.502 133.826
- 121.701  24.163 123.955-132.583
- 117.721  52.261 121.264-128.378
- 119.563-116.663 122.111-128.995
- 121.736   0.000 121.591 -80.576
- # 196 total E   -4.05646E+01 rmsd from N    0.000 %NC  0.00
- 117.522-155.142 146.365 -25.574
- 121.840-169.069 161.979-143.904
- 131.172 -92.496 158.343 158.517
- 122.613-155.011 136.240-100.634
- 123.900 -69.360 152.389-120.891
- 113.856  72.711 109.399-128.288
-  92.407  84.314 146.480 -37.181
- 125.129 -94.485 134.390-144.162
- 116.635 -66.130 109.784 -80.604
- 125.114 -21.953   0.000   0.000
- 127.159 -48.907   0.000   0.000
- 117.345-140.721 128.665-138.485
- 126.960-152.819 122.295 -80.624
- 126.705-168.729 147.780 -54.775
- 125.029 170.766   0.000   0.000
- 119.031  37.983 127.427-144.607
- 120.910  49.657 121.488-129.241
-  93.348 123.033 103.862-113.941
- 119.946 159.806 123.879-132.588
- 120.594   0.000 120.479 -80.427
- # 197 total E   -3.90039E+01 rmsd from N    0.000 %NC  0.00
- 114.883 160.578 141.049  -8.277
-  92.464 103.823 151.286-138.544
- 116.423  10.640 169.777 167.211
- 116.895 -96.646 163.171-137.847
- 121.578 172.533 152.475-137.791
- 118.429  33.482 139.412  -8.630
- 117.064-167.358 156.830 -19.651
- 124.455-165.675 138.272-127.369
- 120.266 -69.150 110.344 -78.050
- 121.912 -16.509   0.000   0.000
- 126.636 -67.569   0.000   0.000
- 116.528  26.523 124.577-132.285
- 123.758 -82.659 120.862 -79.917
- 126.494-161.225 150.409 -65.096
- 135.012 -97.518   0.000   0.000
- 127.805-105.014 117.991 -46.387
- 118.681  25.529 123.540-132.227
- 117.188 132.531 116.432-121.998
- 119.015  64.084 122.701-130.727
-  93.358   0.000 135.613-109.817
- # 198 total E   -3.80362E+01 rmsd from N    0.000 %NC  0.00
-  93.616 103.660 144.031-133.599
- 117.474 176.956 149.460 -25.848
- 121.081 166.328 115.915 -70.868
- 118.733  96.670 134.361-106.157
- 119.472 -63.318 150.210 -63.142
- 119.123  74.884  99.856-107.066
- 116.258 167.969 152.956 -21.067
- 121.120-175.477 124.700-130.531
- 120.115 -71.087 161.126-158.323
- 122.811 -22.561   0.000   0.000
- 126.813 -69.761   0.000   0.000
- 111.171  27.351  97.317 -88.652
- 124.092 -77.652 148.250 -83.283
- 125.736-162.499 124.828 -77.564
- 121.956  31.590   0.000   0.000
- 125.539 -95.075 143.817-155.646
- 117.468  41.596 121.546-130.583
- 109.209 142.022 100.853-103.918
-  93.095 124.293 104.681-115.801
- 119.272   0.000 136.448-133.981
- # 199 total E   -3.32755E+01 rmsd from N    0.000 %NC  0.00
-  93.636  40.944 108.821 -81.307
-  92.743  36.423 150.622-135.340
- 117.318  86.266 167.703 161.042
- 123.663 -80.972 120.446 -77.086
- 121.822 -31.603 145.854 167.642
- 113.407  88.086 162.057 146.910
-  92.485  71.696 141.127 -84.859
- 125.828 -82.770 140.580 153.609
- 121.360-168.569 159.319-151.960
- 126.646  13.673   0.000   0.000
- 128.725 -38.391   0.000   0.000
- 117.745-140.393 123.982-130.735
- 126.813-152.084 151.153 -92.713
- 126.945-165.757 122.674 -79.189
- 124.928 172.286   0.000   0.000
- 123.022  34.774 127.529-146.344
-  93.611  49.008 102.108-124.315
- 124.305 143.261 114.829-115.532
- 117.902  66.364 126.127-136.142
- 118.379   0.000 120.043 -79.898
- # 200 total E   -2.71447E+01 rmsd from N    0.000 %NC  0.00
-  93.641 112.439 109.762 -81.327
- 112.090 151.438 143.494 -20.640
- 115.472  10.674 166.465 173.586
- 115.946 -95.366 134.633 -93.147
- 128.829-164.332 148.572-138.327
- 121.352 -67.193 130.771 -27.819
-  92.442  75.666 145.895 -44.939
- 129.106-103.274 138.695-146.220
- 122.981-174.049 152.185 -18.607
- 133.805 -67.893   0.000   0.000
- 132.175 -76.781   0.000   0.000
- 104.363  11.499  99.568 -96.707
-  92.368  67.950 135.639-146.831
-  93.175 -23.346 114.555 -75.260
- 113.773  68.219   0.000   0.000
- 118.231  21.087 131.200-142.839
-  93.996  29.865  95.797-118.779
- 125.248  51.459 116.137-116.583
- 120.476-115.570 125.825-131.511
- 121.670   0.000 120.753 -80.634
+ jlee =  1   nbank = 200   nstep =     200     76459 0     1707.53019
+ #   1 total E   -1.25955E+02 rmsd from N    0.000 %NC  0.00
+ 118.155-107.646 154.600-173.783
+ 123.981-167.852 153.296-161.861
+ 128.143-158.134 145.168  17.251
+ 117.084 -59.039 157.755 161.967
+  90.621 -22.935  95.123 -66.520
+  92.117 100.202 160.763 -97.180
+ 123.099-141.205 156.726-141.506
+ 127.302-144.400 136.869-118.067
+ 120.319 -69.507 165.262-159.450
+ 127.651-165.777   0.000   0.000
+ 134.646 -53.906   0.000   0.000
+ 118.087-139.254 122.413-128.825
+ 126.981-151.887 122.112 -80.700
+ 126.486-168.360 150.603 -66.982
+ 126.011 173.093   0.000   0.000
+ 129.301 -91.791 111.311 -55.893
+ 117.752-109.266 119.550-126.500
+ 118.035-118.612 111.747-112.708
+ 117.649-116.284 126.206-134.304
+ 121.446   0.000 149.061-102.538
+ #   2 total E   -1.24637E+02 rmsd from N    0.000 %NC  0.00
+ 118.704-116.961 113.085 -79.790
+ 123.484 -65.307 156.519-132.897
+ 125.393-151.292 110.836 -74.122
+ 126.955 -64.774 157.430-169.494
+  92.181 -24.296 108.129 -92.843
+  93.143 109.953 142.378 -24.858
+  91.767 120.182 137.442-161.299
+  92.532  64.531 118.207-146.098
+  93.976  47.761 141.650-124.284
+  95.981  70.327   0.000   0.000
+ 139.451 -75.671   0.000   0.000
+  92.909  70.417 100.125-100.231
+  93.853  69.811 130.039-121.253
+ 124.183-100.589 118.585 -81.819
+  95.893  76.815   0.000   0.000
+ 131.194-104.249 104.463 -58.210
+ 120.060-164.279 121.337-128.742
+  93.182 114.540 107.731-100.803
+  93.128  29.648  98.362-104.558
+  93.343   0.000 114.563 -77.429
+ #   3 total E   -1.24301E+02 rmsd from N    0.000 %NC  0.00
+  93.668 115.587 147.397 -25.435
+ 118.802-169.863 159.019-139.128
+ 130.575-105.660 159.250 174.802
+ 120.702 -71.195 167.091-156.721
+ 124.013-156.392 131.185 -13.250
+ 135.073 -51.743 113.417 -77.916
+  92.628 100.125 149.729 -34.536
+  93.486   3.382 148.781-151.020
+  94.658 -86.080 148.325 -24.131
+  93.925 163.948   0.000   0.000
+ 137.448 -46.838   0.000   0.000
+  93.338  54.915  79.910 -84.764
+  93.310  30.275 117.770 -72.103
+  97.098 -99.328 118.573 -80.380
+ 120.346-175.264   0.000   0.000
+ 130.421 -84.210 115.519 -60.436
+ 117.670-107.985 118.365-125.351
+ 117.979-135.465 111.663-112.778
+ 117.892   7.482 128.171-137.307
+  93.410   0.000 136.955-103.969
+ #   4 total E   -1.21454E+02 rmsd from N    0.000 %NC  0.00
+ 117.506-138.595 151.028-147.153
+ 121.529 175.140 160.053 166.238
+ 110.728 101.951 114.509 -71.203
+  91.968  -4.622 140.892 -89.282
+  91.250 -83.432  97.636 -53.893
+ 115.407-179.508 137.526 135.868
+  92.103  75.844 153.387  -5.845
+  92.678  84.005 115.664 113.742
+  93.368 -38.451 139.951-121.145
+ 118.258-160.438   0.000   0.000
+ 137.462 -61.650   0.000   0.000
+ 121.725 112.773 122.017-126.906
+ 124.428 -77.297 146.906 -76.673
+  93.785  58.942 115.981 -76.127
+ 128.895-169.188   0.000   0.000
+ 129.515 -84.991 137.545 -46.067
+ 117.903-108.298 122.752-131.848
+ 118.101-137.157 114.521-116.109
+  93.098  59.696 101.722-104.561
+  93.333   0.000 114.376 -77.253
+ #   5 total E   -1.18841E+02 rmsd from N    0.000 %NC  0.00
+ 116.839-158.415 152.259-152.489
+ 123.675-108.652 149.928 -25.172
+  92.863  56.627 105.027 -78.080
+  91.645  61.600 136.835-103.151
+  90.998  45.745  85.419 -66.959
+  92.428  81.710 152.951 116.209
+  91.741  12.610 139.710 -57.499
+ 106.829 -92.213 132.680-104.924
+ 116.023 -66.604 108.961 -81.188
+ 123.362  -9.569   0.000   0.000
+  95.308 160.724   0.000   0.000
+  93.050  89.523 106.597-114.811
+ 124.270 -94.077 120.392 -80.690
+ 125.362-174.488 149.367 -60.549
+ 123.366  31.584   0.000   0.000
+ 126.832 -90.352 118.688 -53.745
+ 117.854-107.805 118.797-125.528
+ 118.046-134.284 111.757-112.859
+ 117.659 120.838 128.481-137.577
+  93.500   0.000 115.177 -77.153
+ #   6 total E   -1.17772E+02 rmsd from N    0.000 %NC  0.00
+ 114.371 -43.078 107.110 -84.634
+  92.893  -5.751 150.694-144.713
+ 132.545-106.304 147.813  -5.730
+  93.211  66.191 117.748 -52.050
+  91.642  81.619 126.743-125.047
+ 101.719   7.610 129.404-140.428
+  92.831 -91.817 146.845-110.433
+ 120.380 178.588 135.538-145.132
+ 118.934 -70.231 152.858  -8.207
+ 120.980 -16.963   0.000   0.000
+ 121.248 -45.279   0.000   0.000
+ 115.828-166.579 124.639-132.652
+ 129.065-175.543 128.375  -7.350
+  94.045  78.129 116.603 -76.471
+ 134.405 -93.421   0.000   0.000
+ 127.992-108.098 124.887 116.615
+ 117.823-107.748 127.203-143.707
+ 118.059-118.255 111.004-110.979
+ 117.671-116.342 124.065-131.157
+ 121.696   0.000 121.573 -80.549
+ #   7 total E   -1.17378E+02 rmsd from N    0.000 %NC  0.00
+  93.610 102.038 143.266-132.293
+ 111.643 167.623 153.700-138.473
+ 114.755  44.305 172.545 177.987
+  93.544  92.396 131.455 -91.097
+  91.256  -4.746 126.310-154.266
+ 105.801 -81.835 170.907 164.728
+ 118.251-164.260 156.617 -16.883
+ 128.818-160.662 138.512 173.092
+ 120.627-176.161 109.159 -75.718
+ 135.364 -72.338   0.000   0.000
+ 129.386 -35.879   0.000   0.000
+ 118.333-139.414 123.089-129.196
+ 127.050-151.542 122.388 -80.814
+ 126.514-167.962 150.604 -67.556
+ 126.035 173.205   0.000   0.000
+ 129.300 -92.039 111.253 -55.788
+ 117.753-109.239 119.498-126.478
+ 118.017-118.525 111.775-112.787
+ 117.663-116.263 126.040-134.036
+ 121.462   0.000 148.984-102.579
+ #   8 total E   -1.16096E+02 rmsd from N    0.000 %NC  0.00
+  93.645 109.914 108.779 -79.822
+ 120.749-176.432 151.606 -21.375
+ 113.129 125.034 161.225 137.260
+  93.421  58.374 133.920 -86.112
+  91.481  65.334 123.329-124.084
+  92.808  42.823 119.869 -57.676
+  93.008-119.314 141.728-124.472
+ 125.133-102.338 140.958 140.545
+  93.806  16.839 143.291-128.278
+ 133.210 -19.921   0.000   0.000
+  95.339  96.211   0.000   0.000
+  92.952 133.434 105.663-120.764
+ 119.796 158.209 135.997  -0.877
+  94.336   6.548 114.525 -76.719
+ 138.314 -77.250   0.000   0.000
+ 128.470 -61.960 142.390 175.227
+ 117.782-154.753 112.490-116.965
+  92.980 113.194 105.257-122.900
+ 119.974-117.197 121.272-128.263
+ 121.539   0.000 146.341-118.244
+ #   9 total E   -1.14603E+02 rmsd from N    0.000 %NC  0.00
+  93.603  47.588 143.845-128.508
+  92.459 157.281 149.693 171.464
+  93.495  87.690 111.052 -65.317
+  92.770   2.783 153.089 -97.424
+  91.348 -88.898 110.550 -33.361
+ 112.767 164.180 142.831-109.446
+ 110.093 117.634 152.942 163.759
+  92.378 -22.917 128.489-147.049
+  91.048 -57.331 104.150 -70.567
+  93.914  15.597   0.000   0.000
+ 114.828 -57.550   0.000   0.000
+  93.422 -31.165 102.705-115.746
+  93.642  97.654 115.054 -76.821
+ 131.757-106.072 120.865 -84.118
+ 130.964 -71.973   0.000   0.000
+  93.643  64.192 134.703-127.253
+  93.689 129.918  95.724-119.708
+ 125.880-175.406 117.892-118.139
+ 116.614 142.437 124.476-131.389
+ 120.429   0.000 120.524 -82.819
+ #  10 total E   -1.13482E+02 rmsd from N    0.000 %NC  0.00
+  93.611  50.102 141.844-173.130
+  92.569 -50.502 143.930 -37.640
+ 124.934-164.958 110.176 -82.552
+ 112.385 -29.584 140.102-112.268
+  92.285-162.015 121.519 -44.444
+  93.205  82.371 122.314 130.396
+  92.115  77.008 149.754 -40.183
+ 115.045 -66.062 108.847 -72.522
+ 115.007 -59.370 107.569 -81.847
+ 125.757 -16.609   0.000   0.000
+ 131.304 -78.633   0.000   0.000
+ 127.301  35.977 118.297-118.220
+  94.217 -50.987 115.283 -79.431
+  94.595 -28.176 113.907 -76.628
+  96.418  88.376   0.000   0.000
+ 130.707-102.592 125.060-134.802
+ 118.965-109.360 116.782-121.757
+ 117.920-117.174 117.422-121.382
+ 117.779-116.215 121.916-126.906
+ 121.744   0.000 121.557 -80.537
+ #  11 total E   -1.12420E+02 rmsd from N    0.000 %NC  0.00
+ 116.799-152.006 148.321-128.647
+ 122.139-169.377 162.440-154.406
+ 128.887 -94.697 164.846 158.133
+  93.655  21.495 149.768-102.221
+  92.479  65.602 129.843-113.367
+  94.129 113.867 133.517 -61.921
+  90.913 -27.532 149.999-127.642
+  92.012 -58.719 139.323-126.118
+  92.219   8.692 143.849-124.407
+ 118.926 -36.809   0.000   0.000
+ 127.744 -60.475   0.000   0.000
+ 117.193-141.348 130.048-141.391
+ 126.337-169.244 144.791 -41.078
+  94.311  82.682 115.850 -76.310
+ 137.085 -28.375   0.000   0.000
+ 125.652 -81.759 143.792-175.519
+ 119.155 132.908 119.671-127.535
+  93.176 125.605 103.515-107.431
+ 118.859 159.474 121.643-129.086
+ 120.596   0.000 120.522 -80.353
+ #  12 total E   -1.10177E+02 rmsd from N    0.000 %NC  0.00
+  93.617  21.531 143.781-128.793
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+  93.609  20.971 143.730-128.358
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+ # 139 total E   -7.30378E+01 rmsd from N    0.000 %NC  0.00
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+  92.522 161.093 159.112-134.876
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+  93.674 118.198 147.458 -24.959
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+ 130.410 -93.092 166.308 166.219
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+  93.684 123.349 147.434 -26.797
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+ 118.672-118.691 111.187 -80.418
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+ 127.986-133.420 102.312 -90.672
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+ 118.309 165.361 150.567-144.321
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+ 130.288 -92.738 161.722 168.806
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+ 118.448 131.254 126.282-133.244
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+ 118.673-121.971 111.011 -79.784
+ 120.170-171.234 166.327  -7.462
+ 131.359 -72.963 164.784  22.982
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+ 142.090 -58.976   0.000   0.000
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+ 129.020-157.224 135.716 -12.296
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+ 121.084 149.033 119.368-124.135
+  93.729   0.000 115.395 -77.360
+ # 197 total E    2.71793E+02 rmsd from N    0.000 %NC  0.00
+  93.152-178.059 123.688 -87.760
+  91.532 -48.440 162.300 169.126
+ 122.433 -58.605 129.280  -5.533
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+ 112.618-120.906 140.817 -29.672
+ 143.315  30.370   0.000   0.000
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+  86.844 110.828 156.513 -23.746
+  89.696 -20.352 169.591 -89.003
+ 118.221  64.516   0.000   0.000
+ 100.335 110.097 139.097-140.180
+ 133.197  42.090 123.934-148.263
+ 152.351-166.674 131.378-173.711
+ 112.228 169.739 105.487-102.163
+ 124.842   0.000 100.777 -62.532
+ # 198 total E    2.95787E+02 rmsd from N    0.000 %NC  0.00
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+ 154.194 -20.709 133.437-139.172
+ 108.797  53.453 154.829   1.861
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+ 133.577-105.995 144.552-166.750
+  85.065 -58.716 174.911-148.367
+ 154.305  68.920 142.692 -57.269
+ 113.486 103.089 147.685  -6.017
+ 132.659 -16.696   0.000   0.000
+ 111.733 -36.214   0.000   0.000
+ 149.053  64.684 125.593-163.064
+ 122.611 171.036 126.927 -76.038
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+ 151.057  71.565   0.000   0.000
+  78.716  41.542 140.732 -61.322
+ 133.614 -61.176 124.998-142.891
+  86.036 137.696 105.141-140.216
+ 130.246-144.563 121.171-129.507
+ 109.666   0.000 150.864 -76.657
+ # 199 total E    1.00000E+20 rmsd from N    0.000 %NC  0.00
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+ 129.374  26.341 139.116 -90.100
+ 123.998-120.377 128.881-170.214
+ 133.183 146.271 167.235 -79.420
+  88.342 156.946 145.021-129.066
+ 171.000  87.712  35.905 -37.410
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+  97.117 -13.020 137.831-120.327
+ 136.176 -59.976   0.000   0.000
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+ 147.346 -90.005 135.629-168.206
+ 167.225 -92.552  66.825 -47.184
+  99.243 -59.664 138.902-172.249
+ 109.886   2.254   0.000   0.000
+ 118.813 103.392 138.275 -30.850
+ 104.971-179.677 101.070-105.254
+ 101.751-125.050 111.527-119.034
+ 120.668  73.252 115.688-119.403
+ 142.294   0.000 129.245 -78.605
+ # 200 total E    1.00000E+20 rmsd from N    0.000 %NC  0.00
+ 107.213 -10.288 135.309-125.979
+  92.945   3.201 158.378 -27.567
+ 156.167   4.936  95.853 -80.304
+  94.629-120.151 138.434 -85.028
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+  98.244 104.050 104.905-114.913
+ 150.768 -24.927  91.599 -55.583
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+  94.467-178.576   0.000   0.000
+  84.817  45.768 149.078  23.535
+ 159.822 -64.652 143.521 144.406
+ 106.056 152.117 120.009-116.329
+ 137.695 -53.424 128.464-153.149
+ 135.442   0.000 101.160 -76.261