rotalib.dat

A 100.000000
CB     0.000   0.000   1.466
*
R 8.286252
CB     0.000   0.000   1.532
CG     1.239  -0.268   2.121
CD     1.337  -0.153   3.613
NE     2.557   0.626   3.917
CZ     2.875   1.051   5.104
NH1    2.135   0.771   6.132
NH2    3.958   1.824   5.189
*
R 4.331450
CB     0.000   0.000   1.571
CG     1.241   0.693   2.139
CD     1.075   0.900   3.647
NE    -0.002   1.873   3.846
CZ    -0.647   2.065   4.992
NH1   -0.290   1.426   6.043
NH2   -1.673   2.892   5.024
*
R 4.143126
CB     0.000   0.000   1.514
CG     1.262   0.599   2.059
CD     1.465   0.278   3.530
NE     0.468   0.750   4.483
CZ     0.616   1.855   5.218
NH1    1.658   2.658   5.016
NH2   -0.281   2.208   6.116
*
R 2.636535
CB     0.000   0.000   1.559
CG     0.115  -1.398   2.153
CD     0.829  -1.381   3.491
NE     0.973  -2.810   3.932
CZ    -0.094  -3.378   4.516
NH1   -1.185  -2.649   4.731
NH2   -0.065  -4.672   4.825
*
R 2.448211
CB     0.000   0.000   1.544
CG     1.140   0.815   2.145
CD     1.085   0.918   3.627
NE     2.211   1.716   4.089
CZ     2.494   2.015   5.323
NH1    1.665   1.604   6.290
NH2    3.571   2.796   5.549
*
R 2.259887
CB     0.000   0.000   1.510
CG     1.259   0.584   2.100
CD     1.285   0.598   3.590
NE     2.450   1.220   4.199
CZ     3.462   0.698   4.882
NH1    3.552  -0.618   5.024
NH2    4.382   1.553   5.345
*
R 2.259887
CB     0.000   0.000   1.487
CG     1.034   0.840   2.194
CD     2.322   0.114   2.365
NE     3.358   0.965   2.988
CZ     4.616   0.822   2.542
NH1    4.979  -0.138   1.707
NH2    5.525   1.761   2.903
*
R 2.071563
CB     0.000   0.000   1.568
CG     1.279   0.524   2.155
CD     1.260   0.461   3.655
NE     0.199   1.230   4.249
CZ    -0.924   0.814   4.815
NH1   -1.232  -0.473   4.967
NH2   -1.799   1.738   5.255
*
R 1.883239
CB     0.000   0.000   1.533
CG    -0.278  -1.337   2.133
CD    -0.151  -1.389   3.633
NE    -1.144  -0.632   4.339
CZ    -1.178  -0.306   5.611
NH1   -0.204  -0.638   6.466
NH2   -2.200   0.393   6.068
*
R 1.883239
CB     0.000   0.000   1.528
CG     1.346   0.444   2.124
CD     2.436  -0.581   1.906
NE     2.292  -1.753   2.772
CZ     2.657  -1.738   4.067
NH1    3.173  -0.634   4.620
NH2    2.515  -2.844   4.790
*
R 1.883239
CB     0.000   0.000   1.521
CG     0.223  -1.271   2.261
CD    -0.103  -0.841   3.753
NE     1.023  -0.069   4.215
CZ     0.919   0.926   5.110
NH1   -0.143   1.071   5.901
NH2    1.939   1.754   5.277
*
R 1.883239
CB     0.000   0.000   1.523
CG     1.351   0.004   2.234
CD     1.258   0.578   3.628
NE     1.095  -0.269   4.783
CZ     0.435   0.008   5.900
NH1   -0.217   1.158   6.106
NH2    0.392  -0.875   6.901
*
R 1.694915
CB     0.000   0.000   1.528
CG     1.361   0.408   2.089
CD     1.402   0.178   3.606
NE     1.362  -1.293   3.926
CZ     1.627  -1.776   5.163
NH1    1.621  -0.906   6.163
NH2    1.950  -3.056   5.290
*
R 1.694915
CB     0.000   0.000   1.533
CG    -1.242   0.634   2.146
CD    -1.198   0.649   3.665
NE    -2.409   1.228   4.241
CZ    -2.599   1.388   5.556
NH1   -1.682   1.016   6.430
NH2   -3.731   1.915   6.004
*
R 1.694915
CB     0.000   0.000   1.550
CG     1.471   0.389   1.943
CD     1.601  -0.138   3.379
NE     2.920   0.131   3.937
CZ     3.692  -0.725   4.648
NH1    3.471  -2.032   4.856
NH2    4.859  -0.205   5.096
*
R 1.694915
CB     0.000   0.000   1.534
CG     1.248   0.574   2.229
CD     1.260   0.308   3.747
NE     1.480  -1.101   4.032
CZ     2.698  -1.654   4.139
NH1    3.829  -0.958   4.009
NH2    2.778  -2.977   4.317
*
R 1.694915
CB     0.000   0.000   1.513
CG     0.055  -1.432   2.054
CD     0.612  -1.384   3.464
NE     0.409  -2.739   4.000
CZ     0.449  -3.058   5.264
NH1    0.667  -2.194   6.222
NH2    0.159  -4.332   5.575
*
R 1.506591
CB     0.000   0.000   1.497
CG     1.242   0.320   2.247
CD     0.745   0.403   3.695
NE     1.465   1.532   4.170
CZ     1.008   2.552   4.851
NH1   -0.231   2.752   5.289
NH2    1.878   3.532   4.898
*
R 1.506591
CB     0.000   0.000   1.523
CG    -0.175  -1.367   2.128
CD    -0.118  -1.273   3.622
NE    -0.522  -2.516   4.270
CZ     0.331  -3.439   4.720
NH1    1.648  -3.284   4.586
NH2   -0.126  -4.472   5.403
*
R 1.506591
CB     0.000   0.000   1.567
CG     0.006  -1.395   2.207
CD     0.208  -1.308   3.702
NE    -0.818  -0.530   4.374
CZ    -1.967  -0.960   4.782
NH1   -2.403  -2.222   4.542
NH2   -2.831  -0.187   5.371
*
R 1.506591
CB     0.000   0.000   1.527
CG     0.539  -1.296   2.122
CD     0.219  -1.361   3.560
NE     0.758  -2.564   4.183
CZ     1.981  -2.722   4.722
NH1    2.868  -1.737   4.630
NH2    2.246  -3.874   5.326
*
R 1.506591
CB     0.000   0.000   1.508
CG     1.231   0.612   2.156
CD     2.336  -0.392   2.021
NE     3.397  -0.045   2.993
CZ     4.440  -0.894   3.197
NH1    4.249  -2.226   3.340
NH2    5.703  -0.441   3.467
*
R 1.506591
CB     0.000   0.000   1.587
CG     1.478   0.235   2.018
CD     1.553   0.196   3.566
NE     3.013   0.208   3.871
CZ     3.655   1.407   3.944
NH1    2.984   2.483   4.298
NH2    4.989   1.476   4.011
*
R 1.506591
CB     0.000   0.000   1.521
CG    -1.246   0.598   2.147
CD    -1.044   0.944   3.638
NE    -2.278   1.446   4.209
CZ    -2.648   2.742   4.234
NH1   -1.839   3.665   3.723
NH2   -3.812   3.113   4.736
*
R 1.506591
CB     0.000   0.000   1.524
CG     0.977   1.034   2.088
CD     2.407   0.669   1.700
NE     3.415   1.230   2.631
CZ     4.017   2.415   2.453
NH1    3.704   3.132   1.391
NH2    4.910   2.822   3.352
*
R 1.318267
CB     0.000   0.000   1.526
CG     0.078  -1.436   2.048
CD    -0.268  -1.619   3.519
NE     0.485  -0.684   4.352
CZ     1.652  -1.022   4.953
NH1    2.274  -2.133   4.512
NH2    2.121  -0.289   5.976
*
R 1.318267
CB     0.000   0.000   1.528
CG     0.918   1.023   2.126
CD     1.258   0.839   3.576
NE     0.083   0.748   4.404
CZ     0.180   0.575   5.712
NH1    1.334   0.686   6.363
NH2   -0.918   0.278   6.401
*
R 1.318267
CB     0.000   0.000   1.534
CG     0.072  -1.421   2.113
CD    -0.197  -1.432   3.580
NE    -1.590  -1.263   3.984
CZ    -2.465  -2.281   4.001
NH1   -2.082  -3.510   3.622
NH2   -3.752  -2.062   4.424
*
R 1.129944
CB     0.000   0.000   1.554
CG     1.295   0.690   2.103
CD     1.410   0.729   3.547
NE     2.576   1.400   4.115
CZ     2.816   2.707   4.140
NH1    1.946   3.657   3.761
NH2    4.069   3.153   4.425
*
R 1.129944
CB     0.000   0.000   1.542
CG     0.086  -1.473   2.021
CD     0.120  -1.594   3.563
NE     1.378  -0.977   4.054
CZ     1.609  -0.868   5.404
NH1    0.823  -1.500   6.292
NH2    2.645  -0.099   5.830
*
R 1.129944
CB     0.000   0.000   1.544
CG     0.010  -1.498   2.014
CD     0.353  -1.564   3.515
NE     1.752  -1.174   3.712
CZ     2.182  -0.118   4.371
NH1    1.356   0.784   4.977
NH2    3.525   0.078   4.551
*
R 1.129944
CB     0.000   0.000   1.519
CG     1.319   0.125   2.174
CD     1.069   0.050   3.671
NE     1.019  -1.268   4.232
CZ     0.429  -1.626   5.378
NH1   -0.327  -0.845   6.002
NH2    0.647  -2.878   5.831
*
R 0.941620
CB     0.000   0.000   1.543
CG    -0.221  -1.370   2.202
CD     0.917  -2.317   1.911
NE     0.675  -3.659   2.483
CZ    -0.024  -4.629   1.890
NH1   -0.593  -4.431   0.695
NH2   -0.041  -5.838   2.439
*
R 0.941620
CB     0.000   0.000   1.550
CG    -1.231   0.593   2.175
CD    -1.110   0.634   3.672
NE    -2.257   1.184   4.384
CZ    -3.335   0.386   4.829
NH1   -3.340  -0.877   4.495
NH2   -4.209   0.998   5.602
*
R 0.753296
CB     0.000   0.000   1.545
CG    -1.342   0.479   2.132
CD    -1.195   0.787   3.600
NE    -0.975  -0.372   4.430
CZ    -1.963  -1.173   4.860
NH1   -3.197  -0.868   4.432
NH2   -1.692  -2.207   5.647
*
R 0.753296
CB     0.000   0.000   1.537
CG     1.251   0.683   2.177
CD     0.922   2.087   2.673
NE     2.209   2.677   3.181
CZ     2.277   2.964   4.499
NH1    1.237   2.825   5.348
NH2    3.468   3.334   5.015
*
R 0.753296
CB     0.000   0.000   1.559
CG     1.297   0.501   2.164
CD     2.387  -0.530   2.120
NE     2.133  -1.600   3.097
CZ     2.654  -2.820   3.099
NH1    3.384  -3.267   2.090
NH2    2.450  -3.621   4.145
*
R 0.564972
CB     0.000   0.000   1.493
CG     0.968   0.735   2.356
CD     2.402   0.559   1.890
NE     2.849  -0.781   2.106
CZ     3.235  -1.330   3.265
NH1    3.295  -0.628   4.392
NH2    3.569  -2.621   3.280
*
R 0.564972
CB     0.000   0.000   1.534
CG     0.175  -1.389   2.143
CD    -0.274  -1.439   3.602
NE    -0.462  -2.822   4.052
CZ    -1.647  -3.407   4.253
NH1   -2.776  -2.717   4.127
NH2   -1.703  -4.684   4.642
*
R 0.564972
CB     0.000   0.000   1.540
CG     0.013  -1.379   2.210
CD     1.383  -2.036   2.074
NE     1.303  -3.434   2.446
CZ     2.347  -4.264   2.402
NH1    3.556  -3.771   2.125
NH2    2.179  -5.560   2.704
*
R 0.564972
CB     0.000   0.000   1.516
CG    -0.216  -1.358   2.067
CD     0.965  -2.269   1.721
NE     0.841  -3.667   2.246
CZ     0.644  -4.736   1.403
NH1    0.606  -6.017   1.953
NH2    0.499  -4.549   0.019
*
R 0.564972
CB     0.000   0.000   1.525
CG     0.257  -1.398   2.077
CD     0.933  -1.372   3.408
NE     0.071  -1.114   4.492
CZ    -0.789  -1.702   5.255
NH1   -1.208  -2.948   5.239
NH2   -1.240  -0.839   6.194
*
R 0.564972
CB     0.000   0.000   1.530
CG     1.454   0.011   2.045
CD     1.489  -0.540   3.409
NE     1.338   0.519   4.413
CZ     2.352   1.346   4.756
NH1    3.570   1.286   4.179
NH2    2.122   2.236   5.732
*
R 0.564972
CB     0.000   0.000   1.530
CG     1.308   0.378   2.219
CD     1.508   1.796   2.583
NE     2.772   1.945   3.377
CZ     3.451   3.099   3.245
NH1    2.913   4.056   2.473
NH2    4.654   3.243   3.820
*
R 0.564972
CB     0.000   0.000   1.531
CG    -0.014  -1.405   2.120
CD     1.035  -2.269   1.417
NE     0.544  -3.569   0.969
CZ     0.405  -4.666   1.716
NH1    0.736  -4.648   3.009
NH2   -0.070  -5.772   1.140
*
R 0.564972
CB     0.000   0.000   1.536
CG     1.164   0.813   2.125
CD     1.493   0.202   3.494
NE     1.146  -1.220   3.376
CZ     1.463  -2.257   4.143
NH1    2.230  -2.086   5.230
NH2    1.015  -3.484   3.825
*
R 0.564972
CB     0.000   0.000   1.544
CG    -0.251  -1.365   2.189
CD    -0.629  -1.278   3.638
NE    -1.936  -0.664   3.801
CZ    -2.513  -0.261   4.928
NH1   -3.719   0.313   5.002
NH2   -1.852  -0.455   6.096
*
R 0.564972
CB     0.000   0.000   1.512
CG     1.126   0.795   2.154
CD     1.236   0.482   3.639
NE     2.605   0.790   4.040
CZ     3.180   0.282   5.119
NH1    4.472   0.584   5.312
NH2    2.474  -0.461   5.976
*
R 0.564972
CB     0.000   0.000   1.512
CG     1.007   0.882   2.207
CD     2.205   0.066   2.588
NE     2.999  -0.347   1.445
CZ     4.031   0.395   1.010
NH1    4.377   1.547   1.592
NH2    4.781  -0.073   0.021
*
R 0.564972
CB     0.000   0.000   1.529
CG    -1.277   0.585   2.092
CD    -1.307   0.543   3.576
NE    -0.333   1.475   4.155
CZ     0.061   1.387   5.387
NH1   -0.490   0.481   6.212
NH2    1.007   2.160   5.811
*
R 0.564972
CB     0.000   0.000   1.541
CG    -0.093  -1.383   2.178
CD     1.140  -2.237   2.030
NE     2.276  -1.688   2.710
CZ     3.477  -2.275   2.702
NH1    3.688  -3.421   2.058
NH2    4.485  -1.683   3.317
*
R 0.564972
CB     0.000   0.000   1.525
CG    -0.254  -1.300   2.285
CD    -0.622  -0.967   3.743
NE     0.414  -0.122   4.398
CZ     0.198   1.073   4.965
NH1    1.231   1.866   5.190
NH2   -1.051   1.429   5.256
*
R 0.376648
CB     0.000   0.000   1.505
CG     0.233  -1.263   2.289
CD     0.289  -0.963   3.764
NE     1.387  -0.111   4.156
CZ     2.637  -0.472   4.444
NH1    3.074  -1.715   4.540
NH2    3.571   0.475   4.643
*
R 0.376648
CB     0.000   0.000   1.533
CG    -0.313  -1.371   2.146
CD    -0.581  -1.248   3.636
NE    -1.172  -2.461   4.197
CZ    -1.713  -2.535   5.412
NH1   -1.732  -1.468   6.195
NH2   -2.230  -3.671   5.843
*
R 0.376648
CB     0.000   0.000   1.501
CG     0.633   1.149   2.199
CD     2.023   0.819   2.573
NE     2.835   0.699   1.387
CZ     3.641   1.682   0.964
NH1    3.810   2.849   1.586
NH2    4.405   1.394  -0.066
*
R 0.376648
CB     0.000   0.000   1.511
CG     1.140  -0.765   2.071
CD     0.996  -0.920   3.571
NE    -0.171  -1.743   3.892
CZ    -1.224  -1.291   4.623
NH1   -1.256  -0.020   5.096
NH2   -2.253  -2.142   4.859
*
R 0.376648
CB     0.000   0.000   1.540
CG     0.122  -1.419   2.071
CD     0.487  -1.511   3.563
NE    -0.566  -0.972   4.456
CZ    -1.615  -1.655   4.887
NH1   -2.471  -1.132   5.754
NH2   -1.846  -2.891   4.481
*
R 0.376648
CB     0.000   0.000   1.510
CG     1.013   0.946   2.089
CD     2.221   0.241   2.558
NE     1.887  -0.875   3.462
CZ     2.756  -1.828   3.638
NH1    2.479  -2.839   4.463
NH2    3.937  -1.748   3.037
*
R 0.376648
CB     0.000   0.000   1.522
CG     1.301   0.589   2.049
CD     1.301   0.802   3.547
NE     1.248  -0.472   4.242
CZ     0.307  -0.869   5.180
NH1    0.397  -2.124   5.720
NH2   -0.773  -0.051   5.541
*
R 0.376648
CB     0.000   0.000   1.530
CG     1.411   0.243   2.084
CD     1.390   0.245   3.614
NE     0.745   1.414   4.193
CZ     1.345   2.604   4.253
NH1    2.584   2.740   3.753
NH2    0.697   3.662   4.791
*
R 0.376648
CB     0.000   0.000   1.508
CG     1.269   0.499   2.152
CD     1.528  -0.486   3.277
NE     1.182   0.089   4.546
CZ     1.504  -0.505   5.702
NH1    2.144  -1.686   5.798
NH2    1.300   0.204   6.802
*
R 0.376648
CB     0.000   0.000   1.549
CG     1.301   0.472   2.207
CD     2.534  -0.360   1.964
NE     3.291  -0.097   0.715
CZ     4.229   0.898   0.648
NH1    4.919   1.039  -0.474
NH2    4.414   1.686   1.700
*
R 0.376648
CB     0.000   0.000   1.549
CG     1.448   0.110   2.136
CD     1.386   0.262   3.645
NE     1.384   1.739   3.877
CZ     1.534   2.209   5.130
NH1    1.826   3.496   5.348
NH2    1.425   1.396   6.211
*
R 0.376648
CB     0.000   0.000   1.564
CG    -1.149   0.682   2.217
CD    -1.292   0.449   3.716
NE    -2.103  -0.777   3.998
CZ    -2.710  -1.021   5.159
NH1   -2.481  -0.214   6.219
NH2   -3.564  -2.027   5.271
*
R 0.376648
CB     0.000   0.000   1.525
CG     0.205  -1.429   2.086
CD     0.327  -1.436   3.581
NE     0.389  -2.818   4.093
CZ     1.427  -3.608   4.066
NH1    2.604  -3.191   3.602
NH2    1.257  -4.835   4.583
*
R 0.376648
CB     0.000   0.000   1.523
CG     1.299   0.533   2.201
CD     1.185   0.709   3.739
NE    -0.182   0.517   4.225
CZ    -0.889   1.350   5.038
NH1   -0.418   2.493   5.542
NH2   -2.158   1.071   5.317
*
R 0.376648
CB     0.000   0.000   1.527
CG     0.558  -1.303   2.118
CD     0.832  -1.146   3.584
NE    -0.403  -1.076   4.356
CZ    -0.851   0.088   4.872
NH1   -0.168   1.216   4.763
NH2   -2.013   0.100   5.568
*
R 0.376648
CB     0.000   0.000   1.528
CG     1.249   0.538   2.204
CD     1.203   0.496   3.684
NE     2.412   1.054   4.322
CZ     2.565   2.343   4.635
NH1    3.700   2.656   5.289
NH2    1.706   3.320   4.328
*
R 0.376648
CB     0.000   0.000   1.551
CG    -0.042  -1.358   2.255
CD     1.226  -2.203   2.079
NE     1.312  -2.927   0.823
CZ     0.686  -4.095   0.614
NH1   -0.065  -4.710   1.548
NH2    0.797  -4.637  -0.586
*
R 0.376648
CB     0.000   0.000   1.541
CG     1.329   0.285   2.201
CD     1.133   0.485   3.674
NE     0.332  -0.570   4.270
CZ     0.877  -1.711   4.683
NH1    2.193  -1.896   4.554
NH2    0.086  -2.659   5.184
*
R 0.376648
CB     0.000   0.000   1.527
CG    -1.231   0.587   2.132
CD    -1.211   0.560   3.633
NE    -1.156  -0.798   4.129
CZ    -0.978  -1.095   5.414
NH1   -0.839  -0.117   6.316
NH2   -0.945  -2.359   5.789
*
R 0.376648
CB     0.000   0.000   1.533
CG     0.334   1.313   2.159
CD     1.565   1.363   3.045
NE     1.303   1.091   4.455
CZ     1.293  -0.163   4.960
NH1    1.509  -1.246   4.160
NH2    1.084  -0.328   6.287
*
R 0.376648
CB     0.000   0.000   1.523
CG     1.165   0.637   2.183
CD     2.487  -0.029   1.893
NE     2.512  -1.352   2.500
CZ     3.380  -2.311   2.299
NH1    4.333  -2.141   1.376
NH2    3.180  -3.492   2.838
*
R 0.376648
CB     0.000   0.000   1.561
CG     0.679  -1.215   2.187
CD     0.365  -1.517   3.671
NE     0.812  -2.872   4.047
CZ     2.116  -3.146   4.190
NH1    2.540  -4.375   4.492
NH2    3.013  -2.176   4.024
*
R 0.376648
CB     0.000   0.000   1.535
CG     1.097   0.815   2.206
CD     1.064   0.669   3.734
NE     1.597   1.772   4.555
CZ     2.870   2.223   4.550
NH1    3.781   1.859   3.633
NH2    3.272   3.073   5.501
*
R 0.376648
CB     0.000   0.000   1.515
CG     1.316   0.361   2.158
CD     1.144   0.623   3.663
NE     0.728  -0.538   4.460
CZ     1.554  -1.514   4.870
NH1    1.113  -2.473   5.685
NH2    2.822  -1.559   4.484
*
R 0.376648
CB     0.000   0.000   1.507
CG     0.703  -1.158   2.192
CD     2.119  -0.798   2.524
NE     2.163   0.365   3.400
CZ     3.266   1.040   3.701
NH1    4.476   0.705   3.265
NH2    3.134   2.121   4.485
*
R 0.376648
CB     0.000   0.000   1.519
CG     0.298  -1.297   2.245
CD     1.722  -1.735   1.930
NE     2.640  -0.807   2.635
CZ     3.969  -0.845   2.462
NH1    4.565  -1.680   1.652
NH2    4.763  -0.038   3.143
*
R 0.376648
CB     0.000   0.000   1.540
CG     1.393   0.354   2.103
CD     1.350   0.850   3.556
NE     0.613  -0.059   4.420
CZ    -0.565   0.302   5.029
NH1   -1.263   1.395   4.725
NH2   -1.004  -0.612   5.923
*
R 0.376648
CB     0.000   0.000   1.533
CG     1.304   0.512   2.122
CD     2.396  -0.559   2.038
NE     3.729  -0.104   2.480
CZ     4.112  -0.020   3.767
NH1    3.320  -0.430   4.735
NH2    5.289   0.553   3.998
*
R 0.188324
CB     0.000   0.000   1.527
CG     0.994  -0.933   2.190
CD     1.465  -0.313   3.504
NE     1.935   1.052   3.278
CZ     2.429   1.845   4.221
NH1    2.213   1.583   5.503
NH2    3.001   2.988   3.874
*
R 0.188324
CB     0.000   0.000   1.516
CG    -0.016  -1.349   2.190
CD    -0.202  -1.185   3.701
NE    -1.211  -2.084   4.282
CZ    -0.870  -3.271   4.781
NH1    0.405  -3.703   4.747
NH2   -1.824  -4.052   5.294
*
R 0.188324
CB     0.000   0.000   1.526
CG     0.508  -1.280   2.170
CD    -0.421  -1.757   3.289
NE     0.284  -2.462   4.360
CZ     0.347  -2.037   5.624
NH1   -0.228  -0.902   6.026
NH2    1.021  -2.759   6.514
*
R 0.188324
CB     0.000   0.000   1.509
CG     0.195  -1.385   2.075
CD    -0.097  -1.473   3.561
NE    -1.533  -1.595   3.749
CZ    -2.366  -0.683   4.224
NH1   -1.918   0.499   4.677
NH2   -3.698  -0.940   4.238
*
R 0.188324
CB     0.000   0.000   1.465
CG    -0.115  -1.408   2.051
CD    -0.160  -1.415   3.513
NE    -0.823  -2.554   4.162
CZ    -0.115  -3.530   4.709
NH1   -0.700  -4.502   5.444
NH2    1.233  -3.573   4.521
*
R 0.188324
CB     0.000   0.000   1.500
CG    -0.795   1.144   1.971
CD    -0.223   1.720   3.250
NE    -1.426   1.851   4.028
CZ    -1.658   2.909   4.752
NH1   -0.738   3.846   4.924
NH2   -2.822   2.996   5.350
*
R 0.188324
CB     0.000   0.000   1.533
CG     1.417   0.414   2.060
CD     1.626   1.925   2.163
NE     0.977   2.434   3.388
CZ     0.642   3.720   3.620
NH1    0.748   4.640   2.594
NH2    0.186   3.996   4.850
*
R 0.188324
CB     0.000   0.000   1.539
CG     1.101   0.943   2.115
CD     2.481   0.441   1.741
NE     3.528   1.532   1.917
CZ     4.049   1.636   3.164
NH1    3.722   0.850   4.201
NH2    4.963   2.604   3.290
*
R 0.188324
CB     0.000   0.000   1.564
CG     1.449   0.539   1.997
CD     2.174  -0.727   2.474
NE     1.842  -1.035   3.791
CZ     2.024  -2.019   4.655
NH1    2.618  -3.183   4.360
NH2    1.572  -1.725   5.881
*
R 0.188324
CB     0.000   0.000   1.530
CG    -1.393   0.083   2.172
CD    -1.173   0.236   3.736
NE    -2.518   0.318   4.391
CZ    -3.330   1.362   4.326
NH1   -2.961   2.567   3.880
NH2   -4.599   1.224   4.745
*
R 0.188324
CB     0.000   0.000   1.499
CG     0.110  -1.238   2.314
CD     1.358  -0.851   3.209
NE     2.194  -2.008   2.890
CZ     3.029  -2.562   3.749
NH1    3.155  -2.067   4.948
NH2    3.606  -3.655   3.214
*
R 0.188324
CB     0.000   0.000   1.547
CG     1.261   0.645   2.129
CD     2.409  -0.330   2.282
NE     2.338  -1.476   1.419
CZ     2.146  -2.794   1.594
NH1    2.404  -3.376   2.786
NH2    1.580  -3.506   0.574
*
R 0.188324
CB     0.000   0.000   1.546
CG    -1.323   0.423   2.160
CD    -1.668  -0.226   3.455
NE    -2.913   0.162   4.115
CZ    -4.098  -0.469   3.994
NH1   -4.224  -1.558   3.248
NH2   -5.187   0.007   4.642
*
R 0.188324
CB     0.000   0.000   1.525
CG     0.602  -1.284   2.096
CD     1.012  -1.175   3.521
NE    -0.128  -0.796   4.341
CZ    -0.265  -1.067   5.641
NH1    0.677  -1.722   6.311
NH2   -1.375  -0.669   6.281
*
R 0.188324
CB     0.000   0.000   1.531
CG     1.340  -0.251   2.170
CD     1.865   0.946   2.888
NE     2.703   1.738   2.012
CZ     3.858   2.290   2.365
NH1    4.340   2.164   3.590
NH2    4.544   2.951   1.428
*
R 0.188324
CB     0.000   0.000   1.521
CG     0.275  -1.356   2.168
CD     1.681  -1.811   2.005
NE     2.676  -0.957   2.605
CZ     2.832  -0.714   3.904
NH1    2.046  -1.265   4.826
NH2    3.808   0.106   4.306
*
R 0.188324
CB     0.000   0.000   1.543
CG     1.070   0.884   2.179
CD     1.747   0.164   3.309
NE     2.582  -0.900   2.776
CZ     3.846  -0.803   2.370
NH1    4.631   0.228   2.703
NH2    4.290  -1.729   1.505
*
R 0.188324
CB     0.000   0.000   1.518
CG    -1.044   0.835   2.237
CD    -2.387   0.223   2.224
NE    -3.450   0.971   2.825
CZ    -4.679   0.504   3.082
NH1   -5.039  -0.769   2.877
NH2   -5.620   1.360   3.511
*
R 0.188324
CB     0.000   0.000   1.487
CG     0.903   0.979   2.214
CD     0.898   0.658   3.706
NE     1.797  -0.463   3.884
CZ     2.293  -0.958   4.990
NH1    1.736  -0.786   6.157
NH2    3.550  -1.466   4.915
*
R 0.188324
CB     0.000   0.000   1.508
CG     1.152   0.633   2.260
CD     0.958   0.465   3.764
NE    -0.232   1.247   4.218
CZ    -0.317   2.575   4.206
NH1    0.679   3.399   3.957
NH2   -1.557   3.175   4.297
*
R 0.188324
CB     0.000   0.000   1.493
CG     1.291   0.495   2.173
CD     1.159   0.068   3.604
NE     1.572   1.046   4.581
CZ     1.328   0.898   5.893
NH1    0.734  -0.186   6.407
NH2    1.650   1.911   6.701
*
R 0.188324
CB     0.000   0.000   1.589
CG    -1.070   0.928   2.194
CD    -0.672   1.725   3.404
NE     0.454   2.636   3.223
CZ     0.406   3.847   2.659
NH1   -0.717   4.373   2.116
NH2    1.465   4.622   2.806
*
R 0.188324
CB     0.000   0.000   1.529
CG     1.170   0.659   2.188
CD     0.755   2.033   2.509
NE     0.400   2.157   3.905
CZ    -0.445   3.053   4.462
NH1   -1.129   3.983   3.803
NH2   -0.534   3.083   5.780
*
R 0.188324
CB     0.000   0.000   1.495
CG     1.066   0.906   1.917
CD     1.088   1.036   3.365
NE     1.691  -0.142   3.962
CZ     2.984  -0.248   4.310
NH1    3.878   0.763   4.116
NH2    3.360  -1.344   4.975
*
R 0.188324
CB     0.000   0.000   1.538
CG     1.375  -0.208   2.174
CD     1.562  -1.661   2.605
NE     2.969  -2.065   2.706
CZ     3.431  -2.991   3.549
NH1    2.601  -3.598   4.387
NH2    4.715  -3.341   3.526
*
R 0.188324
CB     0.000   0.000   1.524
CG     1.196   0.705   2.120
CD     2.392  -0.218   2.197
NE     2.969  -0.234   3.538
CZ     2.992  -1.299   4.338
NH1    2.452  -2.453   3.951
NH2    3.630  -1.226   5.497
*
R 0.188324
CB     0.000   0.000   1.522
CG     1.318  -0.389   2.127
CD     1.689   0.515   3.284
NE     3.040   1.030   3.099
CZ     4.142   0.293   3.213
NH1    4.079  -0.929   3.738
NH2    5.321   0.838   2.956
*
R 0.188324
CB     0.000   0.000   1.544
CG     0.900   1.068   2.221
CD     0.494   1.538   3.650
NE    -0.949   1.419   3.730
CZ    -1.898   2.292   3.403
NH1   -1.715   3.552   3.036
NH2   -3.098   1.820   3.502
*
R 0.188324
CB     0.000   0.000   1.542
CG    -1.279   0.474   2.223
CD    -1.015   0.823   3.687
NE    -0.329   2.115   3.816
CZ    -0.017   2.710   4.970
NH1   -0.282   2.124   6.133
NH2    0.596   3.889   4.956
*
R 0.188324
CB     0.000   0.000   1.532
CG     0.581   1.194   2.230
CD    -0.338   1.647   3.362
NE     0.214   1.059   4.551
CZ    -0.342   1.073   5.759
NH1   -1.592   1.430   6.031
NH2    0.376   0.509   6.706
*
R 0.188324
CB     0.000   0.000   1.517
CG    -1.168   0.672   2.207
CD    -0.983   0.562   3.709
NE    -1.184  -0.804   4.136
CZ    -0.236  -1.510   4.764
NH1    0.977  -1.024   5.063
NH2   -0.510  -2.774   5.041
*
R 0.188324
CB     0.000   0.000   1.533
CG     1.470  -0.042   1.862
CD     2.084   0.670   3.030
NE     1.482   0.454   4.299
CZ     2.147   0.586   5.462
NH1    3.426   0.900   5.606
NH2    1.437   0.485   6.563
*
R 0.188324
CB     0.000   0.000   1.494
CG     1.245   0.627   2.110
CD     0.716   1.753   2.930
NE     0.626   1.491   4.325
CZ    -0.215   2.100   5.175
NH1   -1.292   2.801   4.816
NH2    0.013   1.849   6.456
*
R 0.188324
CB     0.000   0.000   1.530
CG     0.176  -1.320   2.291
CD    -1.002  -1.636   3.249
NE    -1.154  -0.575   4.232
CZ    -2.278   0.154   4.372
NH1   -3.406  -0.043   3.647
NH2   -2.235   1.119   5.276
*
R 0.188324
CB     0.000   0.000   1.513
CG     1.352   0.355   2.069
CD     1.320   1.091   3.385
NE     1.150   2.521   3.200
CZ     1.100   3.385   4.237
NH1    1.212   2.995   5.505
NH2    0.933   4.691   4.035
*
R 0.188324
CB     0.000   0.000   1.525
CG    -0.828   1.158   2.079
CD    -0.860   1.204   3.601
NE    -1.640   2.314   4.192
CZ    -1.812   2.540   5.486
NH1   -1.240   1.747   6.379
NH2   -2.557   3.561   5.885
*
R 0.188324
CB     0.000   0.000   1.528
CG     0.802  -1.157   2.120
CD     2.307  -1.025   1.886
NE     3.104  -1.720   2.906
CZ     2.664  -2.766   3.616
NH1    1.431  -3.257   3.432
NH2    3.393  -3.398   4.546
*
R 0.188324
CB     0.000   0.000   1.549
CG     0.911   1.051   2.239
CD     2.299   1.199   1.596
NE     3.331   0.323   2.148
CZ     4.429  -0.048   1.484
NH1    4.603   0.331   0.222
NH2    5.454  -0.562   2.139
*
R 0.188324
CB     0.000   0.000   1.446
CG     0.778  -1.060   1.974
CD     1.588  -0.681   3.183
NE     2.209  -1.918   3.569
CZ     2.729  -2.222   4.745
NH1    3.212  -3.517   4.903
NH2    2.821  -1.292   5.777
*
R 0.188324
CB     0.000   0.000   1.509
CG     1.462   0.363   1.971
CD     1.664   0.214   3.485
NE     0.339   0.333   4.058
CZ    -0.337  -0.619   4.789
NH1   -1.623  -0.355   5.160
NH2    0.227  -1.768   5.222
*
R 0.188324
CB     0.000   0.000   1.531
CG     1.360  -0.433   2.156
CD     2.259   0.664   2.849
NE     1.566   1.497   3.886
CZ     2.148   2.551   4.601
NH1    1.351   3.250   5.474
NH2    3.497   2.910   4.508
*
R 0.188324
CB     0.000   0.000   1.475
CG    -1.299   0.377   2.106
CD    -1.147   0.420   3.653
NE    -0.276  -0.686   4.204
CZ    -0.815  -1.822   4.812
NH1    0.009  -2.816   5.332
NH2   -2.185  -2.021   4.858
*
R 0.188324
CB     0.000   0.000   1.546
CG     0.024  -1.387   2.138
CD     1.382  -2.104   1.941
NE     2.545  -1.194   2.057
CZ     3.386  -1.164   3.106
NH1    4.385  -0.265   3.131
NH2    3.240  -2.002   4.140
*
R 0.188324
CB     0.000   0.000   1.529
CG     1.299   0.519   2.148
CD     1.321   0.174   3.601
NE     2.516   0.629   4.298
CZ     3.704   0.021   4.206
NH1    4.756   0.482   4.880
NH2    3.866  -1.060   3.439
*
R 0.188324
CB     0.000   0.000   1.522
CG     0.024  -1.385   2.100
CD     0.028  -1.354   3.608
NE     0.165  -2.656   4.288
CZ     0.404  -3.855   3.734
NH1    0.542  -4.031   2.422
NH2    0.506  -4.922   4.521
*
R 0.188324
CB     0.000   0.000   1.536
CG     1.198  -0.716   2.173
CD     2.445  -0.742   1.299
NE     2.990  -2.092   1.175
CZ     3.387  -2.642   0.030
NH1    3.332  -1.957  -1.121
NH2    3.844  -3.895  -0.058
*
R 0.188324
CB     0.000   0.000   1.529
CG     0.270  -1.334   2.171
CD     1.707  -1.445   2.631
NE     2.323  -2.588   2.020
CZ     3.558  -3.007   2.187
NH1    4.446  -2.326   2.929
NH2    3.970  -4.164   1.679
*
R 0.188324
CB     0.000   0.000   1.527
CG    -1.151  -0.686   2.259
CD    -1.032  -0.696   3.778
NE     0.333  -1.017   4.206
CZ     0.884  -2.250   4.184
NH1    0.187  -3.354   3.797
NH2    2.103  -2.341   4.718
*
R 0.188324
CB     0.000   0.000   1.516
CG     0.451  -1.354   2.092
CD     1.964  -1.424   2.023
NE     2.464  -2.448   1.136
CZ     3.753  -2.640   0.810
NH1    4.699  -1.861   1.309
NH2    4.086  -3.679   0.032
*
R 0.188324
CB     0.000   0.000   1.519
CG     1.371   0.677   1.897
CD     1.897   0.251   3.210
NE     1.371   1.060   4.312
CZ     0.327   0.562   5.019
NH1   -0.282   1.331   5.932
NH2    0.023  -0.731   4.790
*
R 0.188324
CB     0.000   0.000   1.559
CG     0.666  -1.318   2.033
CD     0.684  -1.381   3.565
NE    -0.682  -1.392   4.025
CZ    -1.276  -0.351   4.636
NH1   -2.602  -0.487   4.816
NH2   -0.607   0.733   5.062
*
R 0.188324
CB     0.000   0.000   1.516
CG    -0.066  -1.381   2.159
CD     1.179  -2.169   1.765
NE     1.096  -3.454   2.480
CZ     1.321  -3.664   3.763
NH1    1.810  -2.708   4.550
NH2    0.989  -4.865   4.251
*
R 0.188324
CB     0.000   0.000   1.529
CG     1.351   0.272   2.166
CD     1.614  -0.398   3.435
NE     0.976   0.146   4.630
CZ     1.724   0.321   5.741
NH1    1.226   0.594   6.942
NH2    3.049   0.346   5.643
*
R 0.188324
CB     0.000   0.000   1.534
CG    -0.061  -1.374   2.203
CD     1.025  -2.259   1.798
NE     2.424  -1.843   2.083
CZ     2.959  -1.997   3.316
NH1    2.326  -2.488   4.401
NH2    4.215  -1.532   3.440
*
R 0.188324
CB     0.000   0.000   1.524
CG    -0.627  -1.261   2.088
CD     0.393  -2.276   2.581
NE     1.392  -2.709   1.590
CZ     2.731  -2.685   1.778
NH1    3.295  -2.180   2.891
NH2    3.602  -3.208   0.910
*
R 0.188324
CB     0.000   0.000   1.504
CG     0.545  -1.254   2.171
CD     0.372  -1.044   3.654
NE     0.962  -2.141   4.417
CZ     0.513  -3.331   4.751
NH1    1.220  -4.182   5.493
NH2   -0.711  -3.684   4.337
*
R 0.188324
CB     0.000   0.000   1.553
CG     1.147   0.767   2.234
CD     1.167   0.476   3.732
NE     1.722  -0.844   4.025
CZ     1.031  -1.918   4.430
NH1   -0.280  -1.863   4.632
NH2    1.647  -3.091   4.550
*
R 0.188324
CB     0.000   0.000   1.527
CG     0.602  -1.334   1.960
CD     0.520  -1.729   3.434
NE    -0.439  -2.822   3.662
CZ    -0.318  -4.098   3.202
NH1   -1.310  -4.956   3.469
NH2    0.741  -4.547   2.497
*
R 0.188324
CB     0.000   0.000   1.541
CG     0.587  -1.294   2.091
CD     1.157  -1.212   3.535
NE     2.452  -0.545   3.806
CZ     3.673  -0.988   3.416
NH1    4.760  -0.396   3.928
NH2    3.852  -1.997   2.537
*
R 0.188324
CB     0.000   0.000   1.506
CG    -0.247  -1.318   2.203
CD     1.017  -2.071   2.492
NE     0.619  -3.240   3.231
CZ     1.378  -4.311   3.323
NH1    0.850  -5.374   3.936
NH2    2.627  -4.324   2.820
*
R 0.188324
CB     0.000   0.000   1.534
CG     0.415  -1.311   2.181
CD     0.663  -1.103   3.678
NE     1.863  -0.310   3.920
CZ     1.914   0.678   4.836
NH1    3.045   1.350   4.987
NH2    0.871   1.014   5.604
*
R 0.188324
CB     0.000   0.000   1.543
CG     1.239   0.550   2.199
CD     2.485  -0.248   1.855
NE     3.365   0.606   1.085
CZ     4.194   1.478   1.661
NH1    4.302   1.618   2.983
NH2    4.843   2.336   0.874
*
R 0.188324
CB     0.000   0.000   1.506
CG    -1.235   0.653   2.064
CD    -0.931   1.304   3.454
NE     0.499   1.278   3.732
CZ     1.250   2.407   3.747
NH1    0.770   3.614   3.416
NH2    2.555   2.280   4.017
*
N 42.879747
CB     0.000   0.000   1.521
CG     1.305   0.559   2.100
OD1    2.350   0.595   1.425
ND2    1.245   0.953   3.359
*
N 17.721519
CB     0.000   0.000   1.523
CG    -0.229  -1.353   2.161
OD1   -0.538  -2.346   1.494
ND2   -0.123  -1.354   3.496
*
N 12.025316
CB     0.000   0.000   1.546
CG    -1.343   0.346   2.151
OD1   -2.383  -0.184   1.746
ND2   -1.337   1.239   3.130
*
N 8.544304
CB     0.000   0.000   1.498
CG     0.764  -1.080   2.194
OD1    1.832  -1.570   1.824
ND2    0.270  -1.456   3.380
*
N 6.487342
CB     0.000   0.000   1.540
CG     1.131   0.837   2.063
OD1    1.067   1.958   2.530
ND2    2.313   0.181   2.006
*
N 4.746835
CB     0.000   0.000   1.526
CG    -1.295   0.565   2.070
OD1   -1.890   1.541   1.592
ND2   -1.769   0.058   3.191
*
N 2.531646
CB     0.000   0.000   1.540
CG    -0.039  -1.408   2.141
OD1   -1.017  -1.810   2.816
ND2    0.975  -2.245   1.886
*
N 1.898734
CB     0.000   0.000   1.553
CG     1.511  -0.091   1.846
OD1    2.017  -1.335   1.692
ND2    2.269   0.879   1.979
*
N 1.424051
CB     0.000   0.000   1.554
CG     0.129  -1.441   1.997
OD1    1.136  -2.096   1.823
ND2   -0.984  -2.036   2.358
*
N 0.632911
CB     0.000   0.000   1.535
CG     1.401  -0.264   2.020
OD1    2.266   0.623   2.128
ND2    1.612  -1.558   2.274
*
N 0.474684
CB     0.000   0.000   1.560
CG     1.387   0.456   2.008
OD1    1.526   1.504   2.634
ND2    2.410  -0.198   1.492
*
N 0.158228
CB     0.000   0.000   1.515
CG    -1.273  -0.314   2.237
OD1   -1.403  -1.566   2.687
ND2   -2.141   0.556   2.430
*
N 0.158228
CB     0.000   0.000   1.542
CG    -1.112   0.727   2.288
OD1   -0.817   1.306   3.333
ND2   -2.408   0.731   1.982
*
N 0.158228
CB     0.000   0.000   1.530
CG     0.758  -1.171   2.061
OD1    0.326  -2.331   1.589
ND2    1.796  -0.991   2.733
*
N 0.158228
CB     0.000   0.000   1.537
CG    -0.900   1.136   2.010
OD1   -1.872   1.354   1.287
ND2   -0.580   1.801   3.103
*
D 45.764855
CB     0.000   0.000   1.538
CG     1.358   0.468   2.087
OD1    2.400   0.655   1.424
OD2    1.376   0.650   3.496
*
D 23.514539
CB     0.000   0.000   1.574
CG     0.498  -1.308   2.177
OD1    1.348  -1.949   1.499
OD2    0.100  -1.569   3.340
*
D 17.319848
CB     0.000   0.000   1.517
CG    -1.306   0.500   2.125
OD1   -2.236   0.708   1.357
OD2   -1.303   0.713   3.414
*
D 2.528445
CB     0.000   0.000   1.510
CG     0.092  -1.439   1.998
OD1   -0.433  -2.386   1.407
OD2    0.800  -1.596   3.018
*
D 2.402023
CB     0.000   0.000   1.553
CG     0.939   1.054   2.052
OD1    0.360   2.217   2.186
OD2    2.131   0.850   2.268
*
D 1.896334
CB     0.000   0.000   1.528
CG    -1.232   0.681   2.096
OD1   -1.332   1.896   1.996
OD2   -2.106  -0.005   2.600
*
D 1.264223
CB     0.000   0.000   1.521
CG     1.225   0.561   2.218
OD1    1.251   0.795   3.450
OD2    2.269   0.755   1.553
*
D 0.884956
CB     0.000   0.000   1.522
CG     1.127   0.820   2.081
OD1    2.224   0.254   2.231
OD2    0.911   2.003   2.342
*
D 0.758534
CB     0.000   0.000   1.500
CG     0.296  -1.394   1.981
OD1   -0.256  -1.838   2.970
OD2    1.126  -2.136   1.412
*
D 0.632111
CB     0.000   0.000   1.533
CG     1.386  -0.333   2.118
OD1    1.987  -1.367   1.720
OD2    1.876   0.437   2.977
*
D 0.632111
CB     0.000   0.000   1.536
CG    -1.155   0.757   2.127
OD1   -1.302   0.782   3.373
OD2   -1.998   1.349   1.410
*
D 0.632111
CB     0.000   0.000   1.538
CG     1.335  -0.489   2.032
OD1    2.414  -0.092   1.688
OD2    1.168  -1.488   2.861
*
D 0.379267
CB     0.000   0.000   1.520
CG    -0.253  -1.376   2.102
OD1    0.679  -2.182   2.059
OD2   -1.380  -1.648   2.556
*
D 0.379267
CB     0.000   0.000   1.531
CG    -1.001   1.018   2.059
OD1   -2.198   0.726   2.009
OD2   -0.578   2.131   2.420
*
D 0.252845
CB     0.000   0.000   1.513
CG    -0.158  -1.400   2.106
OD1   -1.198  -1.623   2.695
OD2    0.791  -2.201   1.965
*
D 0.252845
CB     0.000   0.000   1.498
CG     1.383   0.313   1.932
OD1    1.639   1.176   2.731
OD2    2.287  -0.275   1.170
*
D 0.126422
CB     0.000   0.000   1.541
CG    -0.566   1.169   2.304
OD1    0.034   2.270   2.437
OD2   -1.685   1.042   2.880
*
D 0.126422
CB     0.000   0.000   1.495
CG    -0.588   0.580   2.710
OD1   -1.790   0.733   3.062
OD2    0.357   0.901   3.594
*
D 0.126422
CB     0.000   0.000   1.544
CG     0.972  -1.027   2.090
OD1    0.654  -2.230   2.077
OD2    2.038  -0.498   2.501
*
D 0.126422
CB     0.000   0.000   1.500
CG    -1.293   0.181   2.245
OD1   -2.121  -0.741   2.380
OD2   -1.478   1.312   2.766
*
C 60.288809
CB     0.000   0.000   1.541
SG     1.566   0.570   2.277
*
C 25.631769
CB     0.000   0.000   1.519
SG     0.018  -1.653   2.242
*
C 13.357401
CB     0.000   0.000   1.513
SG    -1.587   0.522   2.214
*
C 0.361011
CB     0.000   0.000   1.540
SG    -0.073   1.642   2.287
*
C 0.361011
CB     0.000   0.000   1.561
SG     1.326  -0.972   2.316
*
Q 26.766595
CB     0.000   0.000   1.542
CG     1.285   0.673   2.030
CD     1.242   0.723   3.567
OE1    0.295   0.744   4.314
NE2    2.596   0.804   4.136
*
Q 13.062099
CB     0.000   0.000   1.585
CG     1.246   0.445   2.174
CD     2.463  -0.251   1.757
OE1    2.491  -1.469   1.524
NE2    3.534   0.479   1.426
*
Q 8.137045
CB     0.000   0.000   1.543
CG     0.066  -1.385   2.186
CD     0.159  -1.358   3.708
OE1    0.425  -0.330   4.382
NE2   -0.040  -2.556   4.252
*
Q 6.209850
CB     0.000   0.000   1.517
CG     0.073  -1.462   2.002
CD     1.441  -2.036   1.681
OE1    2.445  -1.649   2.291
NE2    1.548  -2.949   0.713
*
Q 5.781585
CB     0.000   0.000   1.545
CG     0.189  -1.427   2.106
CD     0.895  -1.440   3.439
OE1    2.105  -0.957   3.465
NE2    0.416  -2.021   4.423
*
Q 4.282655
CB     0.000   0.000   1.524
CG     1.260   0.571   2.119
CD     1.244   0.653   3.612
OE1    1.378   1.801   4.167
NE2    1.092  -0.417   4.267
*
Q 3.854390
CB     0.000   0.000   1.547
CG     1.241   0.646   2.128
CD     1.388   0.356   3.611
OE1    2.431  -0.179   4.006
NE2    0.369   0.696   4.394
*
Q 2.997859
CB     0.000   0.000   1.492
CG     1.308   0.392   2.163
CD     2.277  -0.780   2.178
OE1    3.102  -0.968   1.279
NE2    2.115  -1.646   3.177
*
Q 2.997859
CB     0.000   0.000   1.585
CG     0.767  -1.168   2.150
CD     0.014  -1.693   3.401
OE1   -1.287  -1.999   3.250
NE2    0.752  -1.869   4.504
*
Q 2.783726
CB     0.000   0.000   1.544
CG     1.103   0.742   2.169
CD     0.953   2.247   2.334
OE1    0.119   2.959   1.792
NE2    1.819   2.781   3.205
*
Q 2.783726
CB     0.000   0.000   1.518
CG     1.290   0.792   1.952
CD     1.072   1.366   3.309
OE1    0.463   0.787   4.215
NE2    1.625   2.575   3.439
*
Q 2.569593
CB     0.000   0.000   1.523
CG    -1.235   0.546   2.198
CD    -1.115   0.609   3.718
OE1   -0.244  -0.271   4.269
NE2   -1.773   1.469   4.330
*
Q 2.141328
CB     0.000   0.000   1.524
CG    -1.091   0.758   2.182
CD    -0.596   1.476   3.407
OE1    0.532   1.931   3.559
NE2   -1.419   1.462   4.472
*
Q 1.284797
CB     0.000   0.000   1.432
CG    -1.240   0.579   2.124
CD    -1.067   0.536   3.592
OE1   -0.582   1.606   4.108
NE2   -1.308  -0.562   4.272
*
Q 1.070664
CB     0.000   0.000   1.551
CG     1.324   0.385   2.214
CD     2.631   0.445   1.450
OE1    3.286   1.595   1.240
NE2    3.283  -0.613   0.966
*
Q 0.856531
CB     0.000   0.000   1.525
CG    -0.442  -1.347   2.106
CD     0.463  -2.508   1.798
OE1    1.699  -2.253   1.441
NE2    0.056  -3.688   1.885
*
Q 0.856531
CB     0.000   0.000   1.537
CG     0.346  -1.455   1.899
CD     0.657  -1.607   3.352
OE1   -0.082  -1.153   4.255
NE2    1.804  -2.245   3.640
*
Q 0.642398
CB     0.000   0.000   1.525
CG    -1.293   0.426   2.153
CD    -1.626   1.932   2.036
OE1   -0.808   2.805   2.317
NE2   -2.868   2.230   1.620
*
Q 0.642398
CB     0.000   0.000   1.550
CG    -0.198  -1.412   2.130
CD    -1.188  -1.341   3.280
OE1   -0.780  -1.070   4.415
NE2   -2.508  -1.497   3.024
*
Q 0.642398
CB     0.000   0.000   1.517
CG     0.319  -1.278   2.245
CD     1.485  -2.063   1.690
OE1    1.395  -2.771   0.678
NE2    2.595  -1.947   2.379
*
Q 0.642398
CB     0.000   0.000   1.531
CG     1.411  -0.003   2.125
CD     1.426   0.007   3.640
OE1    1.161  -1.012   4.289
NE2    1.776   1.152   4.214
*
Q 0.642398
CB     0.000   0.000   1.536
CG     1.344   0.054   2.188
CD     1.279  -0.423   3.650
OE1    0.081  -0.508   4.281
NE2    2.349  -0.706   4.220
*
Q 0.642398
CB     0.000   0.000   1.545
CG     1.003   0.918   2.176
CD     2.356   0.907   1.522
OE1    2.836  -0.147   1.139
NE2    2.909   2.096   1.240
*
Q 0.428266
CB     0.000   0.000   1.535
CG     0.318  -1.421   2.055
CD     1.661  -1.911   1.588
OE1    2.689  -1.224   1.679
NE2    1.802  -3.115   1.013
*
Q 0.428266
CB     0.000   0.000   1.548
CG    -1.238   0.565   2.267
CD    -2.448  -0.365   2.325
OE1   -2.325  -1.606   2.307
NE2   -3.638   0.196   2.428
*
Q 0.428266
CB     0.000   0.000   1.509
CG     0.952  -0.926   2.199
CD     1.859  -0.235   3.199
OE1    1.641  -0.268   4.420
NE2    2.900   0.403   2.653
*
Q 0.428266
CB     0.000   0.000   1.529
CG     0.877   1.112   2.061
CD     2.149   0.626   2.687
OE1    2.678  -0.455   2.111
NE2    2.578   1.282   3.644
*
Q 0.428266
CB     0.000   0.000   1.535
CG     0.404  -1.369   2.087
CD     0.449  -1.493   3.589
OE1    0.583  -2.727   4.029
NE2    0.392  -0.512   4.358
*
Q 0.428266
CB     0.000   0.000   1.509
CG     0.159  -1.327   2.186
CD    -1.100  -2.092   2.364
OE1   -2.211  -1.504   2.427
NE2   -1.054  -3.408   2.360
*
Q 0.428266
CB     0.000   0.000   1.528
CG    -1.346  -0.177   2.194
CD    -1.265  -0.450   3.692
OE1   -2.323  -1.039   4.289
NE2   -0.226  -0.168   4.354
*
Q 0.214133
CB     0.000   0.000   1.533
CG     1.322   0.580   2.072
CD     2.236  -0.513   2.423
OE1    2.370  -1.016   3.562
NE2    2.928  -1.104   1.489
*
Q 0.214133
CB     0.000   0.000   1.513
CG    -0.120   1.512   1.716
CD     0.051   1.956   3.141
OE1    0.357   3.142   3.422
NE2   -0.145   1.018   4.048
*
Q 0.214133
CB     0.000   0.000   1.561
CG     0.934  -1.013   2.104
CD     0.596  -2.352   2.648
OE1    0.788  -2.667   3.869
NE2    0.135  -3.341   1.847
*
Q 0.214133
CB     0.000   0.000   1.514
CG    -1.190   0.690   2.175
CD    -1.251   0.540   3.669
OE1   -2.259   0.773   4.340
NE2   -0.143   0.132   4.281
*
Q 0.214133
CB     0.000   0.000   1.557
CG     1.193   0.377   2.326
CD     1.886  -0.699   3.119
OE1    1.356  -1.777   3.405
NE2    3.089  -0.365   3.599
*
Q 0.214133
CB     0.000   0.000   1.513
CG     1.334   0.064   2.200
CD     2.176  -1.183   2.158
OE1    1.855  -2.213   1.568
NE2    3.353  -1.103   2.813
*
Q 0.214133
CB     0.000   0.000   1.515
CG     1.075   0.819   2.188
CD     0.508   1.490   3.432
OE1   -0.486   2.234   3.413
NE2    1.180   1.183   4.545
*
Q 0.214133
CB     0.000   0.000   1.544
CG     1.343  -0.204   2.189
CD     1.377  -1.647   2.696
OE1    0.611  -1.957   3.618
NE2    2.228  -2.448   2.047
*
Q 0.214133
CB     0.000   0.000   1.541
CG     0.476   1.282   2.234
CD     1.818   1.818   1.731
OE1    2.732   1.068   1.383
NE2    1.944   3.143   1.729
*
Q 0.214133
CB     0.000   0.000   1.527
CG     0.678  -1.233   2.120
CD     2.124  -1.431   1.624
OE1    2.553  -2.571   1.417
NE2    2.869  -0.340   1.446
*
Q 0.214133
CB     0.000   0.000   1.508
CG     0.061  -1.379   2.109
CD     1.403  -1.591   2.781
OE1    1.457  -2.150   3.872
NE2    2.539  -1.166   2.231
*
Q 0.214133
CB     0.000   0.000   1.538
CG    -0.753   1.137   2.276
CD    -0.185   2.539   2.005
OE1   -0.755   3.339   1.248
NE2    1.016   2.839   2.487
*
Q 0.214133
CB     0.000   0.000   1.550
CG    -1.260  -0.100   2.503
CD    -2.171  -1.366   2.672
OE1   -3.125  -1.313   3.481
NE2   -2.051  -2.534   2.014
*
Q 0.214133
CB     0.000   0.000   1.535
CG     1.362  -0.385   2.163
CD     2.027   0.630   3.121
OE1    3.067   1.245   2.829
NE2    1.493   0.897   4.297
*
Q 0.214133
CB     0.000   0.000   1.524
CG     1.359  -0.372   2.017
CD     1.910   0.776   2.807
OE1    1.832   0.810   4.031
NE2    2.479   1.741   2.099
*
Q 0.214133
CB     0.000   0.000   1.531
CG    -0.255  -1.351   2.190
CD    -0.297  -1.241   3.706
OE1    0.727  -1.365   4.370
NE2   -1.481  -0.998   4.259
*
Q 0.214133
CB     0.000   0.000   1.580
CG    -1.448  -0.034   2.262
CD    -1.645  -1.078   3.450
OE1   -1.810  -0.689   4.631
NE2   -1.765  -2.402   3.112
*
Q 0.214133
CB     0.000   0.000   1.607
CG    -1.460   0.402   1.490
CD    -2.030   1.804   1.463
OE1   -3.147   2.041   1.016
NE2   -1.213   2.750   1.923
*
Q 0.214133
CB     0.000   0.000   1.511
CG     1.386   0.240   2.125
CD     1.808   1.691   2.089
OE1    1.010   2.571   2.342
NE2    3.088   1.938   1.854
*
Q 0.214133
CB     0.000   0.000   1.529
CG     1.279   0.606   2.068
CD     2.490  -0.200   1.633
OE1    3.533  -0.053   2.285
NE2    2.416  -1.035   0.593
*
Q 0.214133
CB     0.000   0.000   1.532
CG     0.932  -1.039   2.169
CD     2.397  -0.567   2.250
OE1    3.144  -0.718   1.139
NE2    2.849  -0.072   3.301
*
Q 0.214133
CB     0.000   0.000   1.547
CG    -1.009  -0.869   2.397
CD    -1.215  -2.404   2.223
OE1   -0.286  -3.216   2.132
NE2   -2.480  -2.870   2.225
*
E 25.797101
CB     0.000   0.000   1.511
CG     1.120   0.642   2.230
CD     0.863   0.557   3.757
OE1   -0.125  -0.114   4.106
OE2    1.661   1.149   4.476
*
E 18.985507
CB     0.000   0.000   1.520
CG     0.084  -1.297   2.243
CD    -0.107  -1.131   3.746
OE1   -0.705  -0.154   4.221
OE2    0.240  -2.107   4.425
*
E 7.536232
CB     0.000   0.000   1.506
CG     1.463   0.339   1.972
CD     2.496  -0.676   1.545
OE1    2.574  -1.784   2.124
OE2    3.451  -0.420   0.701
*
E 4.927536
CB     0.000   0.000   1.498
CG     1.179   0.652   2.120
CD     1.254   0.664   3.641
OE1    1.925   1.614   4.127
OE2    0.651  -0.379   4.166
*
E 4.927536
CB     0.000   0.000   1.511
CG     0.136  -1.387   2.136
CD     1.530  -1.986   2.007
OE1    2.513  -1.247   2.181
OE2    1.601  -3.199   1.751
*
E 4.637681
CB     0.000   0.000   1.544
CG     1.354   0.464   2.074
CD     1.476   1.987   2.032
OE1    0.545   2.799   1.946
OE2    2.781   2.526   2.029
*
E 4.057971
CB     0.000   0.000   1.549
CG    -1.086   0.966   2.031
CD    -1.371   0.849   3.519
OE1   -0.292   0.652   4.422
OE2   -2.489   0.967   4.028
*
E 2.608696
CB     0.000   0.000   1.535
CG     0.027  -1.501   1.927
CD     0.345  -1.621   3.416
OE1    1.519  -1.317   3.718
OE2   -0.566  -2.049   4.191
*
E 2.463768
CB     0.000   0.000   1.541
CG     1.338   0.416   2.108
CD     2.493  -0.586   1.967
OE1    2.399  -1.563   1.215
OE2    3.536  -0.348   2.688
*
E 2.463768
CB     0.000   0.000   1.533
CG    -1.306   0.264   2.286
CD    -1.867   1.652   2.194
OE1   -1.341   2.548   1.546
OE2   -2.975   1.898   2.855
*
E 1.449275
CB     0.000   0.000   1.502
CG     1.238   0.132   2.305
CD     1.279  -0.609   3.645
OE1    0.469  -1.580   3.784
OE2    2.075  -0.175   4.473
*
E 1.449275
CB     0.000   0.000   1.555
CG     1.232   0.680   2.167
CD     2.573   0.302   1.543
OE1    2.817  -0.879   1.286
OE2    3.377   1.208   1.312
*
E 1.159420
CB     0.000   0.000   1.543
CG     0.482  -1.318   2.124
CD    -0.641  -2.319   2.399
OE1   -1.815  -1.840   2.500
OE2   -0.369  -3.520   2.603
*
E 1.159420
CB     0.000   0.000   1.494
CG    -1.227  -0.159   2.312
CD    -1.040  -0.547   3.764
OE1   -0.866  -1.709   4.121
OE2   -1.110   0.461   4.505
*
E 1.159420
CB     0.000   0.000   1.502
CG     0.078  -1.503   2.000
CD     1.262  -1.476   2.982
OE1    1.200  -0.542   3.800
OE2    2.229  -2.160   2.734
*
E 1.014493
CB     0.000   0.000   1.556
CG     1.190   0.687   2.230
CD     2.586   0.124   2.046
OE1    3.597   0.767   2.265
OE2    2.617  -1.102   1.585
*
E 1.014493
CB     0.000   0.000   1.539
CG     1.301   0.634   2.032
CD     0.959   1.318   3.372
OE1    0.764   0.454   4.280
OE2    0.800   2.571   3.491
*
E 1.014493
CB     0.000   0.000   1.539
CG     1.007   1.029   2.047
CD     0.222   2.224   2.600
OE1   -0.349   2.955   1.750
OE2    0.155   2.509   3.806
*
E 0.724638
CB     0.000   0.000   1.532
CG     1.405  -0.328   2.060
CD     1.953   0.559   3.136
OE1    1.563   0.523   4.281
OE2    2.931   1.337   2.729
*
E 0.724638
CB     0.000   0.000   1.527
CG     1.239   0.568   2.174
CD     1.528  -0.105   3.499
OE1    2.221  -1.146   3.483
OE2    1.051   0.395   4.546
*
E 0.579710
CB     0.000   0.000   1.527
CG     0.715  -1.119   2.189
CD     1.086  -0.769   3.619
OE1    0.262  -0.142   4.321
OE2    2.211  -1.098   4.039
*
E 0.579710
CB     0.000   0.000   1.518
CG    -0.910   1.011   2.222
CD    -0.354   2.351   2.640
OE1   -0.787   2.902   3.667
OE2    0.566   2.883   1.949
*
E 0.579710
CB     0.000   0.000   1.522
CG    -0.068  -1.271   2.328
CD    -0.240  -0.854   3.797
OE1    0.769  -0.547   4.447
OE2   -1.388  -0.787   4.278
*
E 0.579710
CB     0.000   0.000   1.545
CG    -0.942   0.956   2.214
CD    -0.622   2.394   2.493
OE1    0.337   3.009   1.957
OE2   -1.407   2.972   3.300
*
E 0.434783
CB     0.000   0.000   1.554
CG    -0.298  -1.206   2.415
CD    -1.804  -1.464   2.647
OE1   -2.477  -0.712   3.382
OE2   -2.317  -2.441   2.085
*
E 0.434783
CB     0.000   0.000   1.527
CG     0.503  -1.196   2.317
CD     1.880  -1.778   2.102
OE1    2.089  -2.983   1.839
OE2    2.850  -0.962   2.227
*
E 0.434783
CB     0.000   0.000   1.542
CG     1.467   0.311   1.972
CD     1.865  -0.350   3.248
OE1    1.553   0.194   4.307
OE2    2.492  -1.419   3.127
*
E 0.434783
CB     0.000   0.000   1.512
CG    -0.163  -1.430   2.147
CD     0.833  -2.414   1.586
OE1    0.549  -3.208   0.690
OE2    1.998  -2.260   2.051
*
E 0.434783
CB     0.000   0.000   1.537
CG    -1.178   0.834   2.077
CD    -1.588   0.274   3.435
OE1   -2.157  -0.782   3.570
OE2   -1.214   1.021   4.358
*
E 0.289855
CB     0.000   0.000   1.510
CG     1.388  -0.191   2.147
CD     2.438   0.775   1.634
OE1    2.137   1.909   1.292
OE2    3.578   0.257   1.558
*
E 0.289855
CB     0.000   0.000   1.530
CG     0.655  -1.220   2.145
CD    -0.222  -1.870   3.197
OE1   -0.284  -1.334   4.325
OE2   -0.870  -2.901   2.879
*
E 0.289855
CB     0.000   0.000   1.542
CG     1.131   0.800   2.231
CD     0.998   2.296   2.034
OE1   -0.241   2.739   2.014
OE2    1.945   3.067   1.879
*
E 0.289855
CB     0.000   0.000   1.531
CG     1.024   0.939   2.190
CD     2.415   0.794   1.635
OE1    2.879  -0.280   1.296
OE2    3.068   1.848   1.523
*
E 0.289855
CB     0.000   0.000   1.519
CG     0.925  -1.091   2.127
CD     2.297  -0.545   2.278
OE1    2.508   0.633   2.122
OE2    3.233  -1.451   2.541
*
E 0.289855
CB     0.000   0.000   1.521
CG     1.093  -0.516   2.399
CD     1.784  -1.709   1.764
OE1    2.247  -1.529   0.643
OE2    1.765  -2.730   2.470
*
E 0.289855
CB     0.000   0.000   1.552
CG    -0.390   1.349   2.222
CD    -0.594   1.267   3.753
OE1   -1.651   0.734   4.188
OE2    0.286   1.764   4.515
*
E 0.289855
CB     0.000   0.000   1.550
CG     1.398   0.406   2.187
CD     1.740   1.864   1.923
OE1    0.957   2.767   2.404
OE2    2.725   2.236   1.218
*
E 0.289855
CB     0.000   0.000   1.522
CG     0.328   1.309   2.271
CD    -0.482   1.464   3.571
OE1    0.112   0.895   4.635
OE2   -1.583   2.037   3.639
*
E 0.289855
CB     0.000   0.000   1.527
CG    -0.979   0.772   2.359
CD    -0.269   1.129   3.665
OE1   -0.102   2.325   3.923
OE2    0.145   0.227   4.411
*
E 0.289855
CB     0.000   0.000   1.548
CG    -1.421   0.376   2.051
CD    -1.669   0.624   3.536
OE1   -1.505   1.702   4.075
OE2   -2.150  -0.415   4.183
*
E 0.144928
CB     0.000   0.000   1.510
CG    -0.507   1.093   2.365
CD     0.204   2.453   2.296
OE1    1.378   2.696   2.710
OE2   -0.544   3.291   1.783
*
E 0.144928
CB     0.000   0.000   1.478
CG    -0.103   0.525   2.894
CD     0.296  -0.172   4.198
OE1   -0.217   0.297   5.297
OE2    1.066  -1.231   4.172
*
E 0.144928
CB     0.000   0.000   1.488
CG     0.259  -1.307   2.234
CD     1.609  -1.461   2.864
OE1    2.677  -1.158   2.354
OE2    1.531  -1.944   4.019
*
E 0.144928
CB     0.000   0.000   1.545
CG     1.346   0.451   2.141
CD     2.190  -0.633   2.741
OE1    2.974  -1.341   2.127
OE2    2.014  -0.760   3.981
*
E 0.144928
CB     0.000   0.000   1.555
CG     1.147   0.797   2.175
CD     2.066  -0.051   3.016
OE1    1.791  -1.187   3.357
OE2    3.090   0.553   3.397
*
E 0.144928
CB     0.000   0.000   1.505
CG     0.828  -1.029   2.273
CD     1.575  -0.463   3.457
OE1    2.665   0.042   3.079
OE2    1.230  -0.494   4.618
*
E 0.144928
CB     0.000   0.000   1.521
CG    -0.240  -1.284   2.296
CD    -1.083  -1.235   3.537
OE1   -0.757  -0.391   4.388
OE2   -2.076  -1.965   3.702
*
E 0.144928
CB     0.000   0.000   1.529
CG     1.374   0.195   2.116
CD     2.069  -1.137   2.320
OE1    1.664  -1.864   3.268
OE2    2.994  -1.464   1.526
*
E 0.144928
CB     0.000   0.000   1.527
CG    -1.299  -0.206   2.245
CD    -1.189  -0.299   3.768
OE1   -0.297   0.286   4.376
OE2   -2.019  -0.952   4.379
*
E 0.144928
CB     0.000   0.000   1.531
CG     0.865  -1.076   2.190
CD     0.316  -2.517   2.223
OE1    0.144  -3.135   1.154
OE2    0.087  -3.030   3.338
*
E 0.144928
CB     0.000   0.000   1.512
CG     1.154  -0.985   1.831
CD     0.996  -2.464   1.395
OE1    1.285  -2.812   0.237
OE2    0.577  -3.279   2.225
*
E 0.144928
CB     0.000   0.000   1.541
CG    -1.342   0.615   1.946
CD    -1.424   1.429   3.212
OE1   -2.104   1.037   4.205
OE2   -1.007   2.693   3.033
*
E 0.144928
CB     0.000   0.000   1.506
CG     0.024  -1.416   2.008
CD     0.158  -1.553   3.477
OE1    0.274  -2.628   3.992
OE2    0.147  -0.451   4.139
*
E 0.144928
CB     0.000   0.000   1.558
CG    -1.366   0.477   2.091
CD    -1.343   1.570   3.199
OE1   -1.913   2.706   3.072
OE2   -0.918   1.080   4.378
*
E 0.144928
CB     0.000   0.000   1.614
CG     0.627   1.275   2.452
CD     2.209   1.332   2.857
OE1    2.859   2.442   2.954
OE2    2.754   0.160   3.301
*
E 0.144928
CB     0.000   0.000   1.508
CG     0.288  -1.374   2.012
CD     1.288  -1.460   3.147
OE1    1.875  -2.517   3.370
OE2    1.474  -0.329   3.853
*
E 0.144928
CB     0.000   0.000   1.558
CG    -1.448  -0.440   1.976
CD    -1.890  -0.296   3.422
OE1   -1.452  -1.030   4.373
OE2   -3.025   0.439   3.482
*
E 0.144928
CB     0.000   0.000   1.518
CG     0.475  -1.437   1.985
CD     1.423  -2.361   1.101
OE1    2.588  -1.973   0.812
OE2    0.991  -3.483   0.717
*
E 0.144928
CB     0.000   0.000   1.540
CG     1.137   0.824   2.171
CD     0.736   1.308   3.524
OE1    0.045   2.275   3.725
OE2    1.181   0.588   4.492
*
E 0.144928
CB     0.000   0.000   1.539
CG    -0.117  -1.303   2.297
CD    -0.665  -1.253   3.687
OE1   -1.699  -1.743   4.089
OE2    0.023  -0.568   4.482
*
E 0.144928
CB     0.000   0.000   1.548
CG    -0.807   1.024   2.372
CD    -2.242   0.695   2.820
OE1   -2.626  -0.474   2.930
OE2   -2.978   1.646   3.091
*
H 29.268293
CB     0.000   0.000   1.540
CG     1.177   0.591   2.224
ND1    2.434   0.059   2.130
CD2    1.270   1.596   3.121
CE1    3.231   0.755   2.962
NE2    2.553   1.711   3.593
*
H 17.770035
CB     0.000   0.000   1.523
CG     1.230   0.620   2.077
ND1    1.374   1.989   2.230
CD2    2.390   0.030   2.498
CE1    2.550   2.216   2.716
NE2    3.193   1.084   2.911
*
H 14.982578
CB     0.000   0.000   1.559
CG     0.203  -1.445   2.039
ND1    1.318  -2.254   1.808
CD2   -0.759  -2.165   2.748
CE1    1.110  -3.461   2.506
NE2   -0.185  -3.404   2.990
*
H 8.710801
CB     0.000   0.000   1.535
CG     0.577  -1.265   2.109
ND1   -0.236  -2.339   2.506
CD2    1.784  -1.619   2.455
CE1    0.516  -3.319   3.011
NE2    1.766  -2.897   2.982
*
H 6.271777
CB     0.000   0.000   1.561
CG    -1.360   0.351   2.103
ND1   -1.835   1.630   2.388
CD2   -2.398  -0.494   2.384
CE1   -3.076   1.568   2.858
NE2   -3.413   0.306   2.868
*
H 4.878049
CB     0.000   0.000   1.530
CG     1.321   0.161   2.212
ND1    1.696  -0.564   3.323
CD2    2.371   0.982   1.978
CE1    2.915  -0.207   3.709
NE2    3.348   0.733   2.901
*
H 4.878049
CB     0.000   0.000   1.524
CG    -1.253   0.659   2.115
ND1   -2.199  -0.091   2.721
CD2   -1.641   1.995   2.101
CE1   -3.166   0.746   3.088
NE2   -2.868   1.988   2.709
*
H 3.135889
CB     0.000   0.000   1.529
CG    -0.087  -1.413   2.042
ND1   -1.136  -1.914   2.783
CD2    0.800  -2.386   1.879
CE1   -0.817  -3.151   3.030
NE2    0.339  -3.446   2.498
*
H 2.439024
CB     0.000   0.000   1.548
CG     0.392  -1.342   2.146
ND1    1.024  -1.325   3.392
CD2    0.284  -2.605   1.673
CE1    1.213  -2.621   3.683
NE2    0.808  -3.369   2.676
*
H 2.090592
CB     0.000   0.000   1.542
CG    -1.055   0.833   2.186
ND1   -0.970   2.209   2.285
CD2   -2.230   0.517   2.733
CE1   -2.093   2.661   2.850
NE2   -2.898   1.661   3.149
*
H 1.393728
CB     0.000   0.000   1.530
CG    -0.463  -1.196   2.234
ND1    0.345  -2.275   2.454
CD2   -1.712  -1.443   2.777
CE1   -0.386  -3.176   3.107
NE2   -1.646  -2.690   3.321
*
H 1.045296
CB     0.000   0.000   1.534
CG     1.174   0.704   2.157
ND1    1.303   0.805   3.529
CD2    2.222   1.351   1.631
CE1    2.394   1.502   3.811
NE2    2.972   1.838   2.675
*
H 0.696864
CB     0.000   0.000   1.571
CG     0.790   1.147   2.207
ND1    2.100   1.303   2.045
CD2    0.289   2.298   2.782
CE1    2.415   2.524   2.425
NE2    1.311   3.111   2.851
*
H 0.696864
CB     0.000   0.000   1.565
CG     1.297   0.683   1.894
ND1    2.527   0.094   1.744
CD2    1.514   1.964   2.256
CE1    3.460   0.986   2.036
NE2    2.876   2.127   2.355
*
H 0.348432
CB     0.000   0.000   1.543
CG     0.571  -1.216   2.158
ND1    1.098  -2.242   1.393
CD2    0.687  -1.559   3.477
CE1    1.531  -3.182   2.252
NE2    1.295  -2.804   3.497
*
H 0.348432
CB     0.000   0.000   1.510
CG     1.119  -0.745   1.974
ND1    1.012  -2.093   2.179
CD2    2.380  -0.317   2.197
CE1    2.222  -2.496   2.525
NE2    3.084  -1.441   2.562
*
H 0.348432
CB     0.000   0.000   1.546
CG    -0.352  -1.297   2.304
ND1   -0.579  -1.296   3.661
CD2   -0.550  -2.551   1.881
CE1   -0.898  -2.528   3.986
NE2   -0.889  -3.293   2.929
*
H 0.348432
CB     0.000   0.000   1.552
CG    -0.994   0.964   2.210
ND1   -2.357   0.835   2.182
CD2   -0.709   2.083   2.889
CE1   -2.822   1.866   2.832
NE2   -1.851   2.618   3.260
*
H 0.348432
CB     0.000   0.000   1.518
CG     1.431  -0.002   1.962
ND1    2.022   0.851   2.807
CD2    2.348  -0.937   1.486
CE1    3.282   0.458   2.831
NE2    3.477  -0.628   2.049
*
I 59.206349
CB     0.000   0.000   1.550
CG1    1.361   0.569   2.116
CG2   -0.316  -1.314   2.173
CD1    1.233   0.910   3.618
*
I 15.873016
CB     0.000   0.000   1.538
CG1   -1.285   0.580   2.111
CG2    1.224   0.756   2.033
CD1   -1.411   0.510   3.632
*
I 14.126984
CB     0.000   0.000   1.524
CG1    1.064   0.919   2.095
CG2    0.138  -1.424   2.059
CD1    2.433   0.632   1.477
*
I 7.777778
CB     0.000   0.000   1.514
CG1    0.090  -1.424   2.072
CG2   -1.242   0.705   2.094
CD1    0.373  -1.404   3.577
*
I 2.063492
CB     0.000   0.000   1.563
CG1    0.278  -1.399   2.147
CG2   -1.307   0.586   2.137
CD1    1.751  -1.742   2.032
*
I 0.634921
CB     0.000   0.000   1.566
CG1    0.204  -1.443   2.072
CG2   -1.347   0.502   2.156
CD1    1.220  -2.334   1.287
*
I 0.158730
CB     0.000   0.000   1.505
CG1    1.146   0.795   2.062
CG2   -0.023  -1.432   2.056
CD1    0.977   2.296   2.066
*
I 0.158730
CB     0.000   0.000   1.631
CG1   -1.305  -0.513   2.208
CG2    0.403   1.392   2.155
CD1   -2.278   0.638   2.482
*
L 60.756757
CB     0.000   0.000   1.512
CG     1.108   0.821   2.153
CD1    0.813   1.095   3.627
CD2    2.477   0.258   1.948
*
L 25.297297
CB     0.000   0.000   1.541
CG    -0.106  -1.350   2.257
CD1    1.144  -2.136   1.912
CD2   -0.273  -1.232   3.772
*
L 3.783784
CB     0.000   0.000   1.515
CG     1.367   0.134   2.161
CD1    1.809   1.618   2.208
CD2    1.263  -0.440   3.610
*
L 2.378378
CB     0.000   0.000   1.525
CG     1.216  -0.038   2.482
CD1    2.535   0.243   1.777
CD2    0.856   0.861   3.654
*
L 2.162162
CB     0.000   0.000   1.481
CG     1.114  -0.130   2.405
CD1    0.537  -0.204   3.877
CD2    1.939  -1.363   2.159
*
L 1.621622
CB     0.000   0.000   1.542
CG     0.193  -1.397   2.152
CD1    0.892  -1.302   3.503
CD2   -1.169  -2.009   2.356
*
L 1.297297
CB     0.000   0.000   1.515
CG     0.814  -1.066   2.247
CD1    2.228  -1.100   1.688
CD2    0.820  -0.765   3.753
*
L 0.756757
CB     0.000   0.000   1.567
CG     1.305  -0.584   2.056
CD1    1.781  -1.951   1.611
CD2    2.392   0.251   2.659
*
L 0.756757
CB     0.000   0.000   1.549
CG     0.010  -1.309   2.390
CD1   -1.410  -1.851   2.473
CD2    0.978  -2.329   1.807
*
L 0.540541
CB     0.000   0.000   1.533
CG    -1.150   0.737   2.243
CD1   -2.386  -0.183   2.402
CD2   -0.722   1.211   3.648
*
L 0.216216
CB     0.000   0.000   1.517
CG    -1.101   0.801   2.180
CD1   -2.479   0.198   1.947
CD2   -0.807   0.847   3.685
*
L 0.108108
CB     0.000   0.000   1.544
CG     1.122   0.584   2.417
CD1    2.451  -0.019   2.061
CD2    1.162   2.076   2.267
*
L 0.108108
CB     0.000   0.000   1.531
CG     1.323   0.386   2.214
CD1    1.340  -0.037   3.671
CD2    1.495   1.905   2.172
*
L 0.108108
CB     0.000   0.000   1.525
CG    -0.490   1.138   2.318
CD1   -0.512   0.698   3.788
CD2    0.585   2.218   2.250
*
L 0.108108
CB     0.000   0.000   1.534
CG     1.346   0.026   2.202
CD1    1.415  -1.336   2.881
CD2    2.480   0.255   1.187
*
K 16.231884
CB     0.000   0.000   1.544
CG     1.141   0.806   2.132
CD     1.094   0.747   3.652
CE     2.096   1.707   4.285
NZ     2.321   1.347   5.727
*
K 12.608696
CB     0.000   0.000   1.526
CG     0.148  -1.421   2.080
CD     0.003  -1.398   3.609
CE     0.221  -2.791   4.199
NZ    -0.109  -2.888   5.658
*
K 11.594203
CB     0.000   0.000   1.525
CG     1.297   0.652   2.038
CD     1.425   0.392   3.535
CE     2.582   1.160   4.149
NZ     3.922   0.895   3.570
*
K 6.086957
CB     0.000   0.000   1.532
CG     1.300   0.614   2.072
CD     2.509  -0.171   1.549
CE     3.809   0.593   1.796
NZ     5.025   0.057   1.119
*
K 4.057971
CB     0.000   0.000   1.548
CG     0.067  -1.416   2.107
CD     0.085  -1.424   3.629
CE    -1.277  -1.114   4.224
NZ    -1.242  -0.507   5.593
*
K 3.043478
CB     0.000   0.000   1.527
CG    -0.047  -1.383   2.135
CD     0.208  -1.333   3.617
CE     1.672  -1.073   3.909
NZ     1.853  -1.035   5.402
*
K 2.898551
CB     0.000   0.000   1.528
CG    -1.190   0.702   2.117
CD    -1.211   0.404   3.645
CE    -2.377   1.115   4.256
NZ    -2.446   0.805   5.724
*
K 2.753623
CB     0.000   0.000   1.541
CG     1.219   0.511   2.157
CD     1.155   0.536   3.689
CE     1.449  -0.794   4.280
NZ     1.161  -0.851   5.741
*
K 2.753623
CB     0.000   0.000   1.510
CG    -0.062  -1.362   2.215
CD     1.264  -2.058   2.113
CE     1.313  -3.532   2.485
NZ     2.656  -4.052   2.037
*
K 2.608696
CB     0.000   0.000   1.542
CG    -0.228  -1.427   2.088
CD    -0.322  -1.364   3.600
CE     0.001  -2.727   4.206
NZ    -0.727  -3.833   3.526
*
K 2.318841
CB     0.000   0.000   1.558
CG     1.182   0.799   2.088
CD     1.214   0.771   3.621
CE     2.383   1.585   4.156
NZ     2.283   3.014   3.774
*
K 2.028986
CB     0.000   0.000   1.520
CG     1.490   0.035   1.754
CD     1.999  -0.088   3.164
CE     1.006   0.329   4.214
NZ     1.648   1.212   5.192
*
K 1.884058
CB     0.000   0.000   1.522
CG    -0.062  -1.381   2.172
CD     1.111  -2.316   1.874
CE     1.638  -3.078   3.097
NZ     2.862  -2.515   3.697
*
K 1.594203
CB     0.000   0.000   1.514
CG    -1.323   0.564   2.042
CD    -1.235   0.829   3.526
CE    -2.595   1.263   4.082
NZ    -2.992   2.602   3.617
*
K 1.594203
CB     0.000   0.000   1.534
CG     0.385  -1.323   2.159
CD     0.880  -1.121   3.579
CE     0.862  -2.257   4.573
NZ     2.211  -2.675   5.189
*
K 1.449275
CB     0.000   0.000   1.531
CG     1.191   0.655   2.215
CD     1.015   0.631   3.743
CE    -0.260   1.313   4.288
NZ    -0.365   2.721   3.923
*
K 1.304348
CB     0.000   0.000   1.528
CG     0.678  -1.253   2.099
CD     1.295  -1.050   3.450
CE     2.678  -0.455   3.492
NZ     3.572  -1.139   4.494
*
K 1.304348
CB     0.000   0.000   1.527
CG     1.396   0.158   2.114
CD     2.282  -0.970   1.633
CE     3.745  -0.921   2.035
NZ     3.936  -1.138   3.473
*
K 1.159420
CB     0.000   0.000   1.518
CG    -0.724   1.063   2.320
CD    -1.194   0.594   3.689
CE    -0.181   0.729   4.812
NZ    -0.407   1.937   5.669
*
K 1.159420
CB     0.000   0.000   1.519
CG     1.174   0.749   2.113
CD     2.551   0.166   1.858
CE     3.601   1.040   2.558
NZ     4.791   0.320   3.098
*
K 1.159420
CB     0.000   0.000   1.526
CG     1.266   0.616   2.143
CD     2.220  -0.449   2.600
CE     3.555   0.077   3.061
NZ     3.655   0.175   4.534
*
K 1.014493
CB     0.000   0.000   1.555
CG     1.327   0.478   2.155
CD     1.394   0.180   3.668
CE     2.792   0.539   4.193
NZ     3.124  -0.296   5.386
*
K 1.014493
CB     0.000   0.000   1.524
CG     1.266   0.604   2.142
CD     1.434   0.118   3.585
CE     0.469   0.749   4.587
NZ     0.106  -0.078   5.779
*
K 0.869565
CB     0.000   0.000   1.515
CG     1.088   0.825   2.160
CD     2.528   0.650   1.753
CE     3.421   1.803   2.202
NZ     4.338   2.461   1.204
*
K 0.869565
CB     0.000   0.000   1.542
CG    -0.191  -1.283   2.280
CD     0.310  -1.324   3.707
CE     0.123  -0.060   4.499
NZ     0.350  -0.267   5.952
*
K 0.724638
CB     0.000   0.000   1.511
CG     0.667   1.142   2.284
CD     2.097   0.769   2.568
CE     2.230  -0.533   3.315
NZ     2.910  -0.359   4.634
*
K 0.724638
CB     0.000   0.000   1.516
CG     1.200   0.716   2.153
CD     1.802  -0.133   3.257
CE     2.281  -1.501   2.691
NZ     1.419  -2.625   3.079
*
K 0.724638
CB     0.000   0.000   1.546
CG     1.225   0.752   2.091
CD     1.507   0.405   3.538
CE     2.090  -1.002   3.711
NZ     3.440  -1.116   3.210
*
K 0.724638
CB     0.000   0.000   1.524
CG     1.285   0.625   2.097
CD     2.526  -0.167   1.925
CE     3.110  -0.505   0.613
NZ     3.974  -1.779   0.775
*
K 0.724638
CB     0.000   0.000   1.524
CG     1.094   0.902   2.113
CD     0.486   1.702   3.289
CE     1.370   2.845   3.814
NZ     0.679   3.430   5.019
*
K 0.579710
CB     0.000   0.000   1.539
CG    -0.051  -1.364   2.214
CD     1.153  -2.169   1.804
CE     1.509  -3.221   2.855
NZ     0.519  -4.267   2.960
*
K 0.579710
CB     0.000   0.000   1.499
CG     0.130  -1.409   2.091
CD     0.088  -1.262   3.611
CE     1.130  -2.206   4.171
NZ     1.041  -3.478   3.436
*
K 0.579710
CB     0.000   0.000   1.525
CG     0.047  -1.378   2.181
CD     1.340  -2.178   1.917
CE     1.217  -3.654   1.532
NZ     1.539  -3.839   0.073
*
K 0.434783
CB     0.000   0.000   1.554
CG    -0.217  -1.334   2.290
CD    -1.673  -1.493   2.587
CE    -1.914  -2.806   3.324
NZ    -3.350  -2.986   3.571
*
K 0.434783
CB     0.000   0.000   1.554
CG    -0.228  -1.356   2.261
CD    -0.558  -1.233   3.763
CE    -1.300  -2.471   4.355
NZ    -2.741  -2.301   4.702
*
K 0.434783
CB     0.000   0.000   1.531
CG    -1.122   0.795   2.129
CD    -1.106   0.882   3.646
CE    -2.167   0.101   4.349
NZ    -3.424  -0.197   3.572
*
K 0.434783
CB     0.000   0.000   1.520
CG     1.360   0.094   2.204
CD     1.244   0.387   3.720
CE     0.638   1.744   4.125
NZ     1.292   2.403   5.269
*
K 0.434783
CB     0.000   0.000   1.521
CG     1.273   0.377   2.248
CD     2.447   0.955   1.540
CE     3.544   1.281   2.583
NZ     2.839   1.330   3.906
*
K 0.289855
CB     0.000   0.000   1.548
CG     0.516  -1.257   2.251
CD     1.918  -1.631   1.791
CE     2.984  -0.613   2.132
NZ     4.282  -1.287   2.130
*
K 0.289855
CB     0.000   0.000   1.521
CG     1.063   0.731   2.314
CD     0.468   1.679   3.409
CE    -0.815   1.274   4.204
NZ    -2.028   1.946   3.720
*
K 0.289855
CB     0.000   0.000   1.528
CG     0.441  -1.290   2.142
CD     1.695  -1.110   2.972
CE     2.600  -2.334   2.801
NZ     3.952  -2.135   3.417
*
K 0.289855
CB     0.000   0.000   1.546
CG    -0.090  -1.387   2.248
CD    -1.551  -1.933   2.440
CE    -2.480  -1.131   3.438
NZ    -1.974  -1.026   4.845
*
K 0.289855
CB     0.000   0.000   1.529
CG     0.377  -1.287   2.208
CD    -0.757  -2.289   2.329
CE    -0.322  -3.592   2.969
NZ    -0.083  -3.468   4.444
*
K 0.289855
CB     0.000   0.000   1.539
CG    -0.101  -1.398   2.197
CD    -0.338  -1.337   3.697
CE     0.805  -0.807   4.512
NZ     1.371   0.450   3.955
*
K 0.289855
CB     0.000   0.000   1.535
CG    -1.286   0.393   2.180
CD    -1.995  -0.828   2.750
CE    -3.294  -0.425   3.434
NZ    -4.114  -1.604   3.839
*
K 0.289855
CB     0.000   0.000   1.528
CG     1.248  -0.473   2.232
CD     2.300   0.578   2.423
CE     2.741   0.518   3.879
NZ     1.552   0.288   4.728
*
K 0.289855
CB     0.000   0.000   1.562
CG     0.504   1.192   2.378
CD     1.858   1.678   1.922
CE     2.183   3.061   2.471
NZ     3.440   3.518   1.905
*
K 0.289855
CB     0.000   0.000   1.491
CG    -0.254   1.288   2.246
CD     0.659   1.386   3.482
CE     0.167   0.540   4.639
NZ     1.302  -0.122   5.364
*
K 0.289855
CB     0.000   0.000   1.519
CG    -0.483  -1.234   2.266
CD    -1.964  -1.256   2.541
CE    -2.708  -0.118   3.181
NZ    -4.037   0.295   2.648
*
K 0.144928
CB     0.000   0.000   1.547
CG    -0.734  -1.151   2.223
CD    -2.070  -0.678   2.864
CE    -3.252  -1.665   2.686
NZ    -3.910  -1.473   1.397
*
K 0.144928
CB     0.000   0.000   1.506
CG     1.019   0.992   2.071
CD     2.457   0.579   1.773
CE     2.844  -0.695   2.524
NZ     4.175  -1.192   2.154
*
K 0.144928
CB     0.000   0.000   1.504
CG     1.332   0.303   2.154
CD     2.274  -0.234   3.163
CE     3.304  -1.306   2.796
NZ     3.287  -2.527   3.704
*
K 0.144928
CB     0.000   0.000   1.511
CG     1.363  -0.155   2.150
CD     1.259  -0.639   3.594
CE    -0.078  -0.331   4.270
NZ    -1.022  -1.473   4.335
*
K 0.144928
CB     0.000   0.000   1.526
CG     0.339  -1.378   2.115
CD    -0.864  -1.926   2.879
CE    -0.712  -3.408   3.201
NZ    -2.017  -3.942   3.675
*
K 0.144928
CB     0.000   0.000   1.531
CG     1.377  -0.160   2.147
CD     2.192   1.117   2.105
CE     3.421   0.956   2.986
NZ     4.475   1.912   2.580
*
K 0.144928
CB     0.000   0.000   1.537
CG    -0.263  -1.320   2.247
CD     0.630  -2.453   1.741
CE     0.219  -3.805   2.292
NZ     0.868  -4.903   1.522
*
K 0.144928
CB     0.000   0.000   1.532
CG     1.347  -0.178   2.205
CD     1.121  -0.580   3.658
CE     2.161  -1.589   4.142
NZ     1.728  -2.291   5.394
*
K 0.144928
CB     0.000   0.000   1.499
CG    -0.024  -1.305   2.219
CD     0.100  -1.082   3.740
CE    -0.936  -0.148   4.394
NZ    -0.301   1.148   4.623
*
K 0.144928
CB     0.000   0.000   1.475
CG     0.199  -1.334   2.073
CD     1.194  -1.127   3.203
CE     2.480  -0.342   2.885
NZ     3.184  -0.799   1.696
*
K 0.144928
CB     0.000   0.000   1.500
CG     0.861  -1.023   2.211
CD     1.539  -0.363   3.413
CE     0.695  -0.453   4.671
NZ    -0.181   0.744   4.877
*
K 0.144928
CB     0.000   0.000   1.556
CG    -0.974  -0.974   2.219
CD    -2.071  -0.375   3.191
CE    -1.740   0.973   3.936
NZ    -2.998   1.709   4.392
*
K 0.144928
CB     0.000   0.000   1.521
CG    -1.408   0.179   2.122
CD    -1.481  -0.065   3.678
CE    -2.927  -0.443   4.162
NZ    -2.989  -0.799   5.627
*
K 0.144928
CB     0.000   0.000   1.552
CG    -1.440  -0.169   2.127
CD    -1.773   0.741   3.333
CE    -3.305   1.136   3.379
NZ    -3.887   1.376   2.001
*
K 0.144928
CB     0.000   0.000   1.491
CG    -1.237   0.674   2.058
CD    -0.999   0.756   3.616
CE    -0.368   2.104   3.905
NZ    -1.409   3.190   4.113
*
K 0.144928
CB     0.000   0.000   1.504
CG     1.405   0.269   2.044
CD     2.033   1.687   1.829
CE     1.333   2.893   2.500
NZ     0.069   3.191   1.848
*
K 0.144928
CB     0.000   0.000   1.527
CG     1.457   0.296   1.966
CD     2.643  -0.443   1.208
CE     2.902  -1.974   1.437
NZ     1.899  -2.897   0.910
*
K 0.144928
CB     0.000   0.000   1.497
CG     0.711  -1.077   2.277
CD     1.268  -0.491   3.618
CE     2.153   0.720   3.217
NZ     1.837   0.921   1.749
*
K 0.144928
CB     0.000   0.000   1.531
CG     1.264   0.661   2.110
CD     1.086   1.167   3.515
CE     1.234   0.069   4.546
NZ     2.134  -1.025   4.078
*
K 0.144928
CB     0.000   0.000   1.510
CG     1.199   0.552   2.270
CD     1.290   2.035   2.343
CE     2.368   2.568   3.296
NZ     2.459   4.055   3.179
*
K 0.144928
CB     0.000   0.000   1.541
CG     0.239  -1.365   2.211
CD    -1.054  -2.106   2.404
CE    -0.847  -3.456   3.101
NZ    -0.087  -4.421   2.233
*
K 0.144928
CB     0.000   0.000   1.541
CG     1.072  -0.903   2.190
CD     1.000  -0.896   3.757
CE     1.696   0.321   4.456
NZ     1.486   0.335   5.972
*
K 0.144928
CB     0.000   0.000   1.524
CG     1.093   0.804   2.209
CD     0.701   2.244   2.559
CE     0.860   3.252   1.439
NZ     1.247   4.627   1.807
*
K 0.144928
CB     0.000   0.000   1.507
CG    -1.354  -0.150   2.153
CD    -1.444  -1.481   2.914
CE    -2.127  -2.587   2.114
NZ    -1.890  -3.894   2.819
*
K 0.144928
CB     0.000   0.000   1.526
CG    -1.271  -0.629   2.041
CD    -1.103  -1.776   3.055
CE    -2.384  -2.581   3.433
NZ    -2.205  -3.410   4.661
*
K 0.144928
CB     0.000   0.000   1.557
CG    -0.773   1.243   2.070
CD    -2.269   1.130   2.338
CE    -3.227   2.069   1.632
NZ    -2.881   3.491   1.918
*
K 0.144928
CB     0.000   0.000   1.521
CG    -1.214   0.155   2.292
CD    -0.953  -0.330   3.805
CE    -2.232  -0.759   4.426
NZ    -2.867  -1.961   3.793
*
M 16.078431
CB     0.000   0.000   1.539
CG     1.306   0.554   2.105
SD     2.564  -0.719   2.258
CE     1.727  -1.660   3.552
*
M 13.333333
CB     0.000   0.000   1.527
CG     1.330   0.359   2.135
SD     1.233   0.378   3.943
CE     0.163  -1.047   4.215
*
M 10.196078
CB     0.000   0.000   1.557
CG     1.439   0.308   2.060
SD     1.426   0.279   3.859
CE     0.562   1.869   4.074
*
M 9.411765
CB     0.000   0.000   1.549
CG     1.281   0.727   2.005
SD     1.248   0.827   3.843
CE     2.801   1.830   4.235
*
M 7.058824
CB     0.000   0.000   1.537
CG    -0.088  -1.410   2.086
SD     0.021  -1.469   3.893
CE     1.765  -1.070   4.023
*
M 5.098039
CB     0.000   0.000   1.527
CG    -0.268  -1.404   2.072
SD     1.093  -2.559   1.854
CE     2.062  -2.068   3.292
*
M 4.705882
CB     0.000   0.000   1.535
CG    -0.051  -1.418   2.088
SD     0.412  -1.473   3.840
CE    -0.478  -2.936   4.387
*
M 4.705882
CB     0.000   0.000   1.515
CG    -0.210  -1.431   2.026
SD    -0.214  -1.504   3.854
CE    -1.520  -0.284   4.214
*
M 3.921569
CB     0.000   0.000   1.545
CG    -1.304   0.544   2.087
SD    -1.440   0.394   3.931
CE    -1.749  -1.385   4.039
*
M 3.529412
CB     0.000   0.000   1.548
CG     1.109   0.934   2.038
SD     2.796   0.384   1.575
CE     2.976  -1.068   2.631
*
M 3.137255
CB     0.000   0.000   1.504
CG     1.107   0.724   2.213
SD     2.698  -0.140   1.970
CE     3.410   0.881   0.716
*
M 2.745098
CB     0.000   0.000   1.524
CG     1.205  -0.747   2.031
SD     1.657  -0.155   3.725
CE     2.527  -1.661   4.495
*
M 2.352941
CB     0.000   0.000   1.537
CG     0.108  -1.367   2.194
SD     1.598  -2.293   1.757
CE     1.000  -3.994   2.081
*
M 1.960784
CB     0.000   0.000   1.568
CG    -1.195   0.681   2.195
SD    -1.276   0.551   4.007
CE     0.266   1.231   4.565
*
M 1.960784
CB     0.000   0.000   1.531
CG    -1.220   0.647   2.175
SD    -1.086   0.533   3.972
CE    -2.590   1.356   4.388
*
M 1.568627
CB     0.000   0.000   1.542
CG     1.422   0.337   1.972
SD     1.430   0.240   3.823
CE     3.213  -0.032   4.050
*
M 1.176471
CB     0.000   0.000   1.567
CG     0.081  -1.429   2.072
SD    -1.621  -2.126   2.397
CE    -2.167  -1.238   3.927
*
M 1.176471
CB     0.000   0.000   1.554
CG    -1.252   0.532   2.167
SD    -2.253  -0.868   2.876
CE    -3.406   0.168   3.863
*
M 0.784314
CB     0.000   0.000   1.537
CG     0.243  -1.384   2.073
SD     1.901  -2.071   1.735
CE     2.851  -0.747   2.267
*
M 0.392157
CB     0.000   0.000   1.486
CG     0.589  -1.275   2.101
SD     2.427  -1.150   1.971
CE     3.024  -2.868   2.405
*
M 0.392157
CB     0.000   0.000   1.528
CG     0.065   1.350   2.228
SD     1.786   1.997   1.777
CE     2.710   0.408   1.567
*
M 0.392157
CB     0.000   0.000   1.494
CG     0.020  -1.340   2.174
SD    -1.722  -1.913   2.427
CE    -1.255  -3.478   3.046
*
M 0.392157
CB     0.000   0.000   1.526
CG     1.327   0.375   2.087
SD     2.552  -0.809   1.494
CE     1.621  -2.368   1.533
*
M 0.392157
CB     0.000   0.000   1.510
CG     1.403  -0.312   2.100
SD     2.675   0.798   1.497
CE     4.191  -0.017   1.946
*
M 0.392157
CB     0.000   0.000   1.513
CG     1.338  -0.251   2.158
SD     1.135  -1.616   3.315
CE    -0.077  -0.834   4.409
*
M 0.392157
CB     0.000   0.000   1.528
CG     1.239  -0.612   2.105
SD     2.716   0.292   1.580
CE     2.445   1.885   2.466
*
M 0.392157
CB     0.000   0.000   1.529
CG    -1.342  -0.519   2.021
SD    -1.947   0.282   3.525
CE    -0.566  -0.122   4.643
*
M 0.392157
CB     0.000   0.000   1.538
CG    -1.329   0.507   2.119
SD    -1.163   0.951   3.846
CE    -0.670   2.639   3.535
*
M 0.392157
CB     0.000   0.000   1.545
CG    -0.812   1.123   2.224
SD    -2.567   1.174   1.790
CE    -3.154  -0.317   2.595
*
M 0.392157
CB     0.000   0.000   1.544
CG     1.325   0.309   2.223
SD     1.751   2.015   1.948
CE     1.614   2.666   3.549
*
M 0.392157
CB     0.000   0.000   1.534
CG     1.456   0.185   1.911
SD     2.210  -1.493   1.974
CE     3.875  -0.910   1.588
*
M 0.392157
CB     0.000   0.000   1.531
CG     1.325   0.424   2.158
SD     2.420  -0.951   2.597
CE     3.389  -0.187   3.891
*
F 27.840909
CB     0.000   0.000   1.454
CG     1.126   0.806   2.096
CD1    2.366   0.240   2.308
CD2    0.963   2.105   2.431
CE1    3.434   0.947   2.843
CE2    2.007   2.841   2.996
CZ     3.225   2.228   3.235
*
F 25.757576
CB     0.000   0.000   1.511
CG     0.050  -1.317   2.243
CD1    1.137  -2.136   2.069
CD2   -0.958  -1.768   3.071
CE1    1.306  -3.345   2.691
CE2   -0.816  -3.002   3.674
CZ     0.289  -3.809   3.510
*
F 14.015152
CB     0.000   0.000   1.509
CG     1.246   0.501   2.140
CD1    1.476   1.864   2.289
CD2    2.198  -0.432   2.569
CE1    2.654   2.323   2.909
CE2    3.363   0.005   3.181
CZ     3.575   1.382   3.362
*
F 9.090909
CB     0.000   0.000   1.518
CG     1.290   0.379   2.177
CD1    2.535   0.049   1.628
CD2    1.246   1.069   3.402
CE1    3.703   0.365   2.295
CE2    2.421   1.403   4.064
CZ     3.655   1.037   3.504
*
F 7.196970
CB     0.000   0.000   1.472
CG    -1.362   0.367   2.093
CD1   -1.872   1.635   2.058
CD2   -2.087  -0.573   2.742
CE1   -3.120   1.969   2.573
CE2   -3.310  -0.257   3.341
CZ    -3.828   1.008   3.259
*
F 5.681818
CB     0.000   0.000   1.470
CG    -1.257   0.591   2.094
CD1   -2.369  -0.154   2.298
CD2   -1.343   1.925   2.433
CE1   -3.530   0.377   2.839
CE2   -2.459   2.487   3.023
CZ    -3.554   1.688   3.246
*
F 5.113636
CB     0.000   0.000   1.535
CG     0.167  -1.351   2.152
CD1   -0.945  -2.153   2.381
CD2    1.427  -1.803   2.539
CE1   -0.810  -3.399   2.987
CE2    1.590  -3.058   3.121
CZ     0.456  -3.859   3.330
*
F 1.136364
CB     0.000   0.000   1.551
CG    -1.005   0.917   2.229
CD1   -0.662   2.232   2.485
CD2   -2.233   0.418   2.621
CE1   -1.574   3.061   3.087
CE2   -3.132   1.269   3.224
CZ    -2.796   2.580   3.469
*
F 0.946970
CB     0.000   0.000   1.533
CG     1.385  -0.232   2.144
CD1    1.859  -1.505   2.308
CD2    2.212   0.833   2.447
CE1    3.151  -1.714   2.753
CE2    3.425   0.620   3.042
CZ     3.934  -0.651   3.191
*
F 0.568182
CB     0.000   0.000   1.543
CG     1.401   0.059   2.146
CD1    2.264   1.089   1.839
CD2    1.837  -0.953   2.979
CE1    3.543   1.116   2.353
CE2    3.121  -0.932   3.492
CZ     3.975   0.102   3.181
*
F 0.568182
CB     0.000   0.000   1.524
CG     1.035   1.078   1.986
CD1    2.388   0.910   1.800
CD2    0.505   2.282   2.490
CE1    3.268   1.945   2.136
CE2    1.412   3.308   2.845
CZ     2.770   3.139   2.615
*
F 0.568182
CB     0.000   0.000   1.536
CG    -0.445  -1.307   2.151
CD1    0.471  -2.344   2.281
CD2   -1.750  -1.477   2.584
CE1    0.089  -3.561   2.851
CE2   -2.137  -2.672   3.171
CZ    -1.223  -3.722   3.289
*
F 0.378788
CB     0.000   0.000   1.535
CG    -0.455  -1.308   2.141
CD1   -1.806  -1.557   2.358
CD2    0.489  -2.279   2.444
CE1   -2.250  -2.747   2.899
CE2    0.049  -3.487   2.983
CZ    -1.305  -3.713   3.197
*
F 0.378788
CB     0.000   0.000   1.526
CG    -0.751   1.181   2.072
CD1   -2.135   1.107   2.198
CD2   -0.065   2.343   2.408
CE1   -2.845   2.199   2.697
CE2   -0.744   3.448   2.922
CZ    -2.150   3.359   3.053
*
F 0.189394
CB     0.000   0.000   1.531
CG     1.035  -0.971   2.086
CD1    1.033  -2.342   1.771
CD2    2.023  -0.457   2.928
CE1    2.028  -3.184   2.276
CE2    3.019  -1.297   3.441
CZ     3.015  -2.649   3.097
*
F 0.189394
CB     0.000   0.000   1.573
CG     1.436   0.238   2.087
CD1    1.736   1.009   3.220
CD2    2.510  -0.320   1.360
CE1    3.067   1.236   3.615
CE2    3.858  -0.124   1.752
CZ     4.125   0.667   2.883
*
F 0.189394
CB     0.000   0.000   1.531
CG     0.610  -1.264   2.120
CD1   -0.018  -2.503   1.859
CD2    1.803  -1.193   2.879
CE1    0.532  -3.662   2.452
CE2    2.379  -2.397   3.372
CZ     1.723  -3.611   3.186
*
F 0.189394
CB     0.000   0.000   1.537
CG     0.572  -1.280   2.113
CD1    1.916  -1.426   2.347
CD2   -0.284  -2.317   2.426
CE1    2.443  -2.587   2.868
CE2    0.226  -3.509   2.951
CZ     1.580  -3.636   3.140
*
P 100.000000
CB     0.000   0.000   1.491
CG    -1.069   1.055   1.742
CD    -0.778   2.142   0.711
*
S 48.235294
CB     0.000   0.000   1.513
OG    -1.150   0.530   2.016
*
S 28.941176
CB     0.000   0.000   1.642
OG    -0.548   1.233   1.616
*
S 22.823529
CB     0.000   0.000   1.445
OG    -1.086   0.589   1.828
*
T 49.354005
CB     0.000   0.000   1.551
OG1   -0.944   0.744   2.093
CG2    1.358   0.446   2.036
*
T 42.764858
CB     0.000   0.000   1.571
OG1    1.167   0.769   2.001
CG2    0.066  -1.397   2.109
*
T 7.493540
CB     0.000   0.000   1.553
OG1    0.198  -1.383   1.930
CG2   -1.275   0.598   2.157
*
T 0.258398
CB     0.000   0.000   1.522
OG1    1.314  -0.344   1.953
CG2   -1.231  -0.618   1.976
*
T 0.129199
CB     0.000   0.000   1.562
OG1   -1.210   0.662   1.917
CG2    1.223  -1.436   2.031
*
W 23.280423
CB     0.000   0.000   1.549
CG     1.266   0.644   2.073
CD1    1.486   1.968   2.317
CD2    2.498  -0.035   2.229
NE1    2.801   2.148   2.676
CE2    3.431   0.927   2.649
CE3    2.930  -1.382   2.121
CZ2    4.775   0.695   2.932
CZ3    4.239  -1.589   2.397
CH2    5.148  -0.608   2.809
*
W 13.227513
CB     0.000   0.000   1.493
CG    -0.073  -1.300   2.203
CD1    0.969  -2.078   2.604
CD2   -1.250  -1.943   2.660
NE1    0.516  -3.165   3.300
CE2   -0.834  -3.105   3.369
CE3   -2.580  -1.663   2.581
CZ2   -1.756  -3.953   3.972
CZ3   -3.467  -2.491   3.187
CH2   -3.054  -3.623   3.859
*
W 8.465608
CB     0.000   0.000   1.535
CG     1.376   0.258   2.189
CD1    2.574   0.286   1.489
CD2    1.561   0.476   3.542
NE1    3.493   0.520   2.405
CE2    2.940   0.639   3.632
CE3    0.746   0.548   4.650
CZ2    3.515   0.880   4.866
CZ3    1.320   0.791   5.883
CH2    2.696   0.955   5.991
*
W 6.878307
CB     0.000   0.000   1.531
CG     0.355  -1.327   2.022
CD1   -0.477  -2.233   2.621
CD2    1.659  -1.968   1.966
NE1    0.195  -3.377   2.969
CE2    1.503  -3.233   2.587
CE3    2.899  -1.580   1.494
CZ2    2.531  -4.152   2.724
CZ3    3.977  -2.467   1.667
CH2    3.763  -3.754   2.265
*
W 6.878307
CB     0.000   0.000   1.495
CG    -1.139   0.674   2.223
CD1   -2.374   0.082   2.491
CD2   -1.137   1.917   2.825
NE1   -3.132   0.991   3.247
CE2   -2.391   2.075   3.452
CE3   -0.203   2.972   2.832
CZ2   -2.670   3.239   4.117
CZ3   -0.506   4.139   3.551
CH2   -1.774   4.306   4.122
*
W 5.820106
CB     0.000   0.000   1.522
CG    -1.188   0.474   2.253
CD1   -1.481   1.755   2.609
CD2   -2.260  -0.313   2.810
NE1   -2.651   1.838   3.323
CE2   -3.133   0.574   3.474
CE3   -2.530  -1.678   2.784
CZ2   -4.285   0.135   4.106
CZ3   -3.668  -2.121   3.419
CH2   -4.521  -1.224   4.081
*
W 5.291005
CB     0.000   0.000   1.490
CG    -0.105  -1.344   2.111
CD1    0.467  -2.496   1.692
CD2   -0.836  -1.661   3.292
NE1    0.089  -3.537   2.541
CE2   -0.695  -3.037   3.544
CE3   -1.576  -0.912   4.193
CZ2   -1.303  -3.606   4.631
CZ3   -2.185  -1.484   5.264
CH2   -2.017  -2.830   5.476
*
W 4.761905
CB     0.000   0.000   1.538
CG    -0.304  -1.291   2.205
CD1   -1.256  -1.537   3.150
CD2    0.406  -2.527   2.062
NE1   -1.203  -2.836   3.561
CE2   -0.193  -3.483   2.891
CE3    1.512  -2.900   1.299
CZ2    0.266  -4.775   2.990
CZ3    1.943  -4.242   1.333
CH2    1.330  -5.168   2.198
*
W 4.232804
CB     0.000   0.000   1.543
CG     1.240   0.764   2.039
CD1    1.192   1.792   2.846
CD2    2.615   0.450   1.669
NE1    2.484   2.251   3.073
CE2    3.336   1.463   2.397
CE3    3.280  -0.493   0.937
CZ2    4.759   1.491   2.339
CZ3    4.668  -0.425   0.870
CH2    5.378   0.597   1.545
*
W 3.174603
CB     0.000   0.000   1.542
CG     1.329   0.392   2.134
CD1    2.288  -0.473   2.602
CD2    1.843   1.731   2.291
NE1    3.379   0.284   3.098
CE2    3.126   1.598   2.878
CE3    1.362   3.023   2.032
CZ2    3.903   2.703   3.207
CZ3    2.147   4.130   2.303
CH2    3.410   3.965   2.905
*
W 2.645503
CB     0.000   0.000   1.562
CG    -0.053  -1.380   2.087
CD1   -1.221  -2.070   2.466
CD2    0.984  -2.332   2.211
NE1   -0.911  -3.362   2.841
CE2    0.457  -3.560   2.661
CE3    2.392  -2.199   2.010
CZ2    1.230  -4.714   2.884
CZ3    3.150  -3.340   2.221
CH2    2.610  -4.536   2.644
*
W 2.645503
CB     0.000   0.000   1.563
CG     1.381   0.183   2.107
CD1    2.012   1.334   2.478
CD2    2.339  -0.847   2.249
NE1    3.308   1.084   2.875
CE2    3.519  -0.291   2.754
CE3    2.294  -2.242   2.031
CZ2    4.664  -1.024   3.025
CZ3    3.431  -2.965   2.330
CH2    4.584  -2.394   2.821
*
W 2.645503
CB     0.000   0.000   1.523
CG    -0.850   0.993   2.207
CD1   -0.449   2.195   2.722
CD2   -2.260   0.897   2.453
NE1   -1.515   2.842   3.289
CE2   -2.672   2.105   3.103
CE3   -3.263  -0.044   2.102
CZ2   -4.010   2.389   3.457
CZ3   -4.586   0.229   2.446
CH2   -4.949   1.406   3.118
*
W 2.116402
CB     0.000   0.000   1.522
CG     1.201   0.603   2.174
CD1    1.551   1.899   2.230
CD2    2.162  -0.136   2.961
NE1    2.728   2.037   2.985
CE2    3.120   0.829   3.417
CE3    2.322  -1.501   3.271
CZ2    4.124   0.446   4.277
CZ3    3.368  -1.861   4.083
CH2    4.275  -0.918   4.561
*
W 1.587302
CB     0.000   0.000   1.540
CG     0.142  -1.331   2.186
CD1   -0.848  -2.256   2.328
CD2    1.306  -1.886   2.843
NE1   -0.399  -3.351   3.019
CE2    0.917  -3.156   3.357
CE3    2.617  -1.430   3.070
CZ2    1.801  -3.982   4.077
CZ3    3.485  -2.251   3.779
CH2    3.080  -3.514   4.257
*
W 1.058201
CB     0.000   0.000   1.529
CG     1.323   0.462   2.147
CD1    2.263  -0.450   2.544
CD2    1.729   1.766   2.385
NE1    3.264   0.267   3.026
CE2    2.987   1.589   2.951
CE3    1.215   3.042   2.197
CZ2    3.747   2.684   3.354
CZ3    1.973   4.125   2.602
CH2    3.225   3.950   3.170
*
W 0.529101
CB     0.000   0.000   1.530
CG     0.778  -1.169   2.133
CD1    0.308  -2.091   3.031
CD2    2.170  -1.513   1.888
NE1    1.316  -2.972   3.373
CE2    2.465  -2.644   2.688
CE3    3.184  -0.973   1.068
CZ2    3.746  -3.254   2.700
CZ3    4.481  -1.584   1.075
CH2    4.734  -2.708   1.887
*
W 0.529101
CB     0.000   0.000   1.574
CG     1.062   0.815   2.223
CD1    2.268   1.189   1.667
CD2    1.040   1.353   3.554
NE1    2.971   1.954   2.570
CE2    2.236   2.063   3.735
CE3    0.096   1.363   4.579
CZ2    2.548   2.729   4.926
CZ3    0.397   2.033   5.765
CH2    1.599   2.709   5.933
*
W 0.529101
CB     0.000   0.000   1.538
CG     0.313  -1.308   2.167
CD1    0.761  -2.467   1.563
CD2    0.217  -1.609   3.589
NE1    1.001  -3.432   2.553
CE2    0.638  -2.950   3.758
CE3   -0.137  -0.830   4.697
CZ2    0.707  -3.539   5.038
CZ3   -0.063  -1.411   5.944
CH2    0.373  -2.719   6.132
*
W 0.529101
CB     0.000   0.000   1.490
CG     1.213  -0.674   1.989
CD1    2.437  -0.174   1.586
CD2    1.300  -1.800   2.779
NE1    3.310  -1.002   2.116
CE2    2.697  -1.965   2.806
CE3    0.449  -2.663   3.451
CZ2    3.311  -2.968   3.508
CZ3    1.083  -3.681   4.156
CH2    2.455  -3.838   4.169
*
W 0.529101
CB     0.000   0.000   1.514
CG     0.445  -1.354   2.119
CD1    1.760  -1.568   2.473
CD2   -0.379  -2.458   2.429
NE1    1.776  -2.776   3.007
CE2    0.561  -3.347   3.000
CE3   -1.739  -2.846   2.340
CZ2    0.181  -4.612   3.491
CZ3   -2.101  -4.099   2.835
CH2   -1.161  -4.959   3.395
*
W 0.529101
CB     0.000   0.000   1.541
CG    -1.203   0.603   2.247
CD1   -2.434   0.882   1.721
CD2   -1.252   1.016   3.619
NE1   -3.248   1.454   2.671
CE2   -2.541   1.554   3.853
CE3   -0.327   0.999   4.678
CZ2   -2.936   2.058   5.097
CZ3   -0.711   1.504   5.919
CH2   -2.004   2.030   6.115
*
W 0.529101
CB     0.000   0.000   1.558
CG    -0.958   1.046   2.299
CD1   -2.187   0.796   2.906
CD2   -0.713   2.463   2.477
NE1   -2.716   1.972   3.419
CE2   -1.843   2.991   3.184
CE3    0.362   3.325   2.125
CZ2   -1.924   4.359   3.543
CZ3    0.282   4.698   2.495
CH2   -0.868   5.191   3.201
*
W 0.529101
CB     0.000   0.000   1.520
CG     1.283   0.232   2.240
CD1    2.255   1.159   1.935
CD2    1.755  -0.457   3.398
NE1    3.285   1.086   2.840
CE2    3.018   0.086   3.733
CE3    1.223  -1.488   4.176
CZ2    3.753  -0.337   4.827
CZ3    1.972  -1.945   5.254
CH2    3.199  -1.374   5.582
*
W 0.529101
CB     0.000   0.000   1.509
CG    -1.257   0.372   2.197
CD1   -2.231  -0.494   2.630
CD2   -1.711   1.680   2.564
NE1   -3.261   0.202   3.230
CE2   -2.965   1.528   3.191
CE3   -1.183   2.949   2.399
CZ2   -3.701   2.600   3.685
CZ3   -1.917   4.021   2.874
CH2   -3.152   3.858   3.504
*
W 0.529101
CB     0.000   0.000   1.552
CG    -1.187   0.753   2.082
CD1   -1.226   2.078   2.429
CD2   -2.509   0.239   2.282
NE1   -2.487   2.413   2.849
CE2   -3.293   1.306   2.772
CE3   -3.109  -1.002   2.076
CZ2   -4.639   1.159   3.078
CZ3   -4.445  -1.144   2.387
CH2   -5.215  -0.088   2.878
*
Y 27.350427
CB     0.000   0.000   1.448
CG     1.069   0.813   2.122
CD1    2.333   0.246   2.259
CD2    0.844   2.116   2.610
CE1    3.376   0.928   2.851
CE2    1.894   2.787   3.215
CZ     3.141   2.213   3.291
OH     4.176   2.792   3.950
*
Y 23.290598
CB     0.000   0.000   1.550
CG    -0.094  -1.373   2.196
CD1    0.853  -2.360   1.963
CD2   -1.101  -1.686   3.084
CE1    0.798  -3.572   2.555
CE2   -1.144  -2.924   3.693
CZ    -0.202  -3.882   3.411
OH    -0.250  -5.081   4.071
*
Y 16.452991
CB     0.000   0.000   1.537
CG     1.311   0.486   2.092
CD1    1.577   1.844   2.286
CD2    2.294  -0.431   2.466
CE1    2.787   2.287   2.817
CE2    3.517  -0.006   2.977
CZ     3.766   1.354   3.141
OH     4.961   1.749   3.665
*
Y 6.623932
CB     0.000   0.000   1.546
CG     0.249  -1.400   2.039
CD1   -0.787  -2.279   2.236
CD2    1.549  -1.831   2.324
CE1   -0.539  -3.555   2.695
CE2    1.814  -3.122   2.745
CZ     0.756  -3.987   2.922
OH     0.965  -5.252   3.365
*
Y 5.128205
CB     0.000   0.000   1.507
CG    -1.261   0.575   2.138
CD1   -2.435  -0.192   2.139
CD2   -1.084   1.757   2.866
CE1   -3.581   0.294   2.819
CE2   -2.221   2.243   3.518
CZ    -3.399   1.540   3.435
OH    -4.471   2.035   4.197
*
Y 5.128205
CB     0.000   0.000   1.530
CG    -1.280   0.569   2.101
CD1   -1.402   1.932   2.434
CD2   -2.378  -0.262   2.269
CE1   -2.629   2.400   2.965
CE2   -3.587   0.186   2.785
CZ    -3.713   1.541   3.143
OH    -4.957   1.921   3.608
*
Y 4.059829
CB     0.000   0.000   1.530
CG     1.388   0.119   2.126
CD1    2.162  -0.961   2.248
CD2    1.850   1.366   2.553
CE1    3.490  -0.838   2.802
CE2    3.148   1.482   3.150
CZ     3.883   0.379   3.272
OH     5.171   0.497   3.866
*
Y 2.564103
CB     0.000   0.000   1.537
CG     0.420  -1.298   2.160
CD1    1.759  -1.583   2.471
CD2   -0.548  -2.236   2.431
CE1    1.991  -2.839   3.073
CE2   -0.288  -3.420   3.052
CZ     0.984  -3.738   3.329
OH     1.173  -4.949   3.905
*
Y 2.136752
CB     0.000   0.000   1.527
CG     1.234   0.475   2.260
CD1    2.425   0.633   1.591
CD2    1.156   0.675   3.633
CE1    3.562   0.979   2.292
CE2    2.292   1.015   4.344
CZ     3.489   1.155   3.655
OH     4.669   1.433   4.310
*
Y 1.495726
CB     0.000   0.000   1.538
CG    -0.321  -1.364   2.132
CD1   -1.653  -1.653   2.426
CD2    0.627  -2.358   2.343
CE1   -2.017  -2.920   2.927
CE2    0.278  -3.619   2.848
CZ    -1.037  -3.882   3.136
OH    -1.436  -5.103   3.619
*
Y 1.282051
CB     0.000   0.000   1.537
CG    -0.927   1.006   2.190
CD1   -2.302   0.871   2.217
CD2   -0.332   2.106   2.853
CE1   -3.128   1.814   2.806
CE2   -1.150   3.015   3.474
CZ    -2.562   2.908   3.433
OH    -3.366   3.859   4.048
*
Y 1.282051
CB     0.000   0.000   1.502
CG     1.414  -0.193   2.001
CD1    2.286   0.872   2.043
CD2    1.821  -1.451   2.402
CE1    3.580   0.682   2.494
CE2    3.113  -1.650   2.850
CZ     3.986  -0.582   2.896
OH     5.275  -0.776   3.363
*
Y 1.068376
CB     0.000   0.000   1.532
CG     1.449   0.335   1.852
CD1    2.055   1.583   1.709
CD2    2.258  -0.727   2.241
CE1    3.392   1.862   1.997
CE2    3.594  -0.477   2.538
CZ     4.176   0.774   2.382
OH     5.500   0.873   2.738
*
Y 0.641026
CB     0.000   0.000   1.559
CG    -1.081   0.904   2.078
CD1   -0.805   2.209   2.443
CD2   -2.401   0.456   2.196
CE1   -1.825   3.064   2.909
CE2   -3.444   1.290   2.624
CZ    -3.129   2.617   2.981
OH    -4.117   3.433   3.430
*
Y 0.427350
CB     0.000   0.000   1.558
CG     0.676  -1.230   2.089
CD1    0.155  -2.481   2.036
CD2    1.981  -1.095   2.574
CE1    0.889  -3.574   2.536
CE2    2.733  -2.137   3.041
CZ     2.150  -3.376   3.046
OH     2.925  -4.454   3.434
*
Y 0.213675
CB     0.000   0.000   1.528
CG    -1.368   0.094   2.189
CD1   -1.951   1.339   2.465
CD2   -2.033  -1.057   2.622
CE1   -3.158   1.433   3.168
CE2   -3.243  -0.970   3.331
CZ    -3.792   0.284   3.602
OH    -4.952   0.367   4.354
*
Y 0.213675
CB     0.000   0.000   1.492
CG     0.028  -1.210   2.358
CD1   -0.795  -1.218   3.508
CD2    0.897  -2.290   2.162
CE1   -0.779  -2.291   4.387
CE2    0.914  -3.389   3.045
CZ     0.085  -3.362   4.146
OH     0.103  -4.392   5.053
*
Y 0.213675
CB     0.000   0.000   1.562
CG    -1.411   0.011   2.183
CD1   -2.019  -1.166   2.596
CD2   -2.080   1.217   2.371
CE1   -3.279  -1.131   3.190
CE2   -3.331   1.274   2.984
CZ    -3.927   0.084   3.395
OH    -5.166   0.120   4.006
*
Y 0.213675
CB     0.000   0.000   1.459
CG    -0.433   1.248   2.185
CD1    0.267   2.443   2.044
CD2   -1.556   1.235   3.009
CE1   -0.198   3.618   2.608
CE2   -2.002   2.394   3.662
CZ    -1.267   3.558   3.511
OH    -1.719   4.674   4.165
*
Y 0.213675
CB     0.000   0.000   1.532
CG    -1.081   0.719   2.254
CD1   -2.190   1.261   1.632
CD2   -1.024   0.883   3.664
CE1   -3.213   1.908   2.317
CE2   -1.987   1.519   4.391
CZ    -3.048   2.088   3.693
OH    -4.017   2.706   4.416
*
V 69.690011
CB     0.000   0.000   1.526
CG1   -0.003  -1.391   2.115
CG2    1.245   0.793   2.027
*
V 20.780712
CB     0.000   0.000   1.552
CG1    1.296   0.573   2.103
CG2   -1.235   0.687   2.087
*
V 8.955224
CB     0.000   0.000   1.522
CG1   -1.326   0.435   2.139
CG2    0.448  -1.396   2.012
*
V 0.459242
CB     0.000   0.000   1.511
CG1    0.150   1.564   1.923
CG2   -1.086  -0.863   2.155
*
V 0.114811
CB     0.000   0.000   1.499
CG1    1.265  -0.651   1.989
CG2    0.091   1.471   1.892
*