*HEADER    VIRAL PROTEIN                           05-JUL-07   2RLJ              
*TITLE     NMR STRUCTURE OF EBOLA FUSION PEPTIDE IN SDS MICELLES AT PH           
*TITLE    2 7                                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENVELOPE GLYCOPROTEIN;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: EBOLA FUSION PEPTIDE;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ZAIRE EBOLAVIRUS;                               
*SOURCE   3 ORGANISM_COMMON: VIRUSES;                                            
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    FUSION PEPTIDE, SDS MICELLES, EBOLA VIRUS, SOLUTION NMR,              
*KEYWDS   2 FILOVIRUS, VIRAL PROTEIN                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.S.FREITAS, L.P.GASPAR, M.LORENZONI, F.C.ALMEIDA,                    
*AUTHOR   2 L.W.TINOCO, M.S.ALMEIDA, L.F.MAIA, L.DEGREVE, A.P.VALENTE,           
*AUTHOR   3 J.L.SILVA                                                            
*REVDAT   1   07-AUG-07 2RLJ    0                                                


assign (resid 2 and name HN) (resid 2 and name HA) 4.139 2.339 0.861
assign (resid 2 and name HN) (resid 2 and name HB#) 3.762 1.962 1.238
assign (resid 2 and name HN) (resid 3 and name HN) 3.694 1.894 1.306
assign (resid 15 and name HN) (resid 15 and name HB#) 3.730 1.930 1.270
assign (resid 3 and name HN) (resid 3 and name HB#) 3.038 1.238 0.362
assign (resid 3 and name HN) (resid 3 and name HA) 2.976 1.176 0.424
assign (resid 7 and name HN) (resid 6 and name HA) 3.335 1.535 0.065
assign (resid 7 and name HN) (resid 7 and name HA) 3.291 1.491 0.109
assign (resid 7 and name HN) (resid 8 and name HN) 3.283 1.483 0.517
assign (resid 12 and name HN) (resid 12 and name HB2) 3.781 1.981 1.719
assign (resid 12 and name HN) (resid 11 and name HN) 3.628 1.828 1.872
assign (resid 12 and name HN) (resid 12 and name HA) 3.621 1.821 1.879
assign (resid 12 and name HB1) (resid 12 and name HN) 3.487 1.687 2.013
assign (resid 12 and name HN) (resid 13 and name HN) 3.197 1.397 0.703
assign (resid 12 and name HN) (resid 12 and name HD#) 3.582 1.782 1.918
assign (resid 12 and name HN) (resid 11 and name HA) 3.139 1.339 0.761
assign (resid 5 and name HN) (resid 4 and name HB) 3.666 1.866 1.334
assign (resid 5 and name HN) (resid 5 and name HA#) 3.124 1.324 0.276
assign (resid 5 and name HN) (resid 5 and name HA#) 3.004 1.204 0.396
assign (resid 16 and name HN) (resid 16 and name HB#) 4.509 2.709 0.491
assign (resid 16 and name HN) (resid 15 and name HA) 3.359 1.559 0.041
assign (resid 6 and name HN) (resid 6 and name HG) 3.401 1.601 1.599
assign (resid 6 and name HN) (resid 6 and name HA) 3.312 1.512 0.088
assign (resid 6 and name HN) (resid 5 and name HA#) 3.206 1.406 0.194
assign (resid 6 and name HN) (resid 5 and name HA#) 3.151 1.351 0.249
assign (resid 6 and name HN) (resid 7 and name HN) 3.146 1.346 0.254
assign (resid 4 and name HN) (resid 4 and name HG2#) 3.680 1.880 1.320
assign (resid 4 and name HN) (resid 3 and name HN) 3.270 1.470 0.130
assign (resid 4 and name HN) (resid 4 and name HA) 3.172 1.372 0.228
assign (resid 4 and name HB) (resid 4 and name HN) 3.236 1.436 0.164
assign (resid 4 and name HN) (resid 4 and name HG1#) 3.437 1.637 1.563
assign (resid 4 and name HN) (resid 5 and name HN) 2.970 1.170 0.430
assign (resid 4 and name HN) (resid 3 and name HB#) 3.735 1.935 1.265
assign (resid 13 and name HN) (resid 12 and name HB1) 4.110 2.310 1.390
assign (resid 13 and name HN) (resid 12 and name HB2) 4.079 2.279 1.421
assign (resid 13 and name HN) (resid 12 and name HA) 3.457 1.657 1.543
assign (resid 13 and name HN) (resid 13 and name HA#) 2.856 1.056 0.544
assign (resid 11 and name HN) (resid 11 and name HA) 3.298 1.498 0.602
assign (resid 11 and name HN) (resid 11 and name HD#) 4.058 2.258 1.442
assign (resid 8 and name HE3) (resid 8 and name HZ3) 2.868 1.068 1.032
assign (resid 8 and name HN) (resid 8 and name HB1) 3.426 1.626 2.074
assign (resid 8 and name HN) (resid 8 and name HA) 3.405 1.605 2.095
assign (resid 7 and name HA) (resid 8 and name HN) 3.397 1.597 0.503
assign (resid 8 and name HN) (resid 6 and name HA) 3.943 2.143 1.557
assign (resid 8 and name HE1) (resid 6 and name HA) 3.958 2.158 1.542
assign (resid 8 and name HE1) (resid 8 and name HD1) 3.314 1.514 0.586
assign (resid 8 and name HD1) (resid 6 and name HA) 3.597 1.797 1.903
assign (resid 8 and name HD1) (resid 8 and name HA) 3.430 1.630 2.070
! assign (resid 8 and name HD1) (resid 8 and name HB1) 3.359 1.559 1.041
assign (resid 12 and name HD#) (resid 12 and name HA) 3.144 1.344 0.756
assign (resid 12 and name HB1) (resid 12 and name HD#) 3.368 1.568 0.532
assign (resid 12 and name HD#) (resid 11 and name HD#) 3.646 1.846 1.854
assign (resid 12 and name HE#) (resid 12 and name HD#) 2.382 0.582 0.918
assign (resid 9 and name HN) (resid 9 and name HG2#) 4.549 2.749 0.451
assign (resid 9 and name HN) (resid 9 and name HD1#) 4.288 2.488 0.712
assign (resid 9 and name HN) (resid 8 and name HA) 3.720 1.920 1.780
assign (resid 9 and name HN) (resid 9 and name HA) 3.587 1.787 1.413
assign (resid 9 and name HN) (resid 8 and name HN) 3.332 1.532 0.568
assign (resid 9 and name HB) (resid 9 and name HN) 3.438 1.638 1.562
assign (resid 8 and name HZ2) (resid 8 and name HE1) 3.061 1.261 0.839
assign (resid 8 and name HH2) (resid 9 and name HG2#) 4.813 3.013 0.687
assign (resid 8 and name HH2) (resid 8 and name HE3) 3.521 1.721 1.979
assign (resid 8 and name HH2) (resid 8 and name HZ2) 2.789 0.989 0.511
assign (resid 8 and name HZ3) (resid 8 and name HZ2) 3.707 1.907 1.792
assign (resid 8 and name HZ3) (resid 8 and name HH2) 2.674 0.874 0.626
assign (resid 11 and name HD#) (resid 11 and name HA) 3.223 1.423 0.677
assign (resid 11 and name HD#) (resid 12 and name HN) 4.192 2.392 1.308
assign (resid 8 and name HA) (resid 8 and name HB1) 3.991 2.191 1.509
assign (resid 8 and name HA) (resid 8 and name HB2) 3.870 2.070 1.630
assign (resid 14 and name HA) (resid 15 and name HN) 4.060 2.260 0.940
assign (resid 14 and name HA) (resid 14 and name HB#) 3.620 1.820 1.380
assign (resid 6 and name HA) (resid 6 and name HD##) 4.063 2.263 0.937
assign (resid 6 and name HA) (resid 6 and name HG) 4.023 2.223 0.977
assign (resid 4 and name HA) (resid 4 and name HD1#) 4.076 2.276 0.924
assign (resid 4 and name HA) (resid 5 and name HN) 3.270 1.470 0.130
assign (resid 16 and name HA) (resid 16 and name HN) 4.032 2.232 0.968
assign (resid 16 and name HA) (resid 16 and name HB#) 3.762 1.962 1.238
assign (resid 9 and name HA) (resid 9 and name HD1#) 4.279 2.479 0.721
assign (resid 9 and name HA) (resid 9 and name HB) 3.826 2.026 1.174
assign (resid 1 and name HA#) (resid 2 and name HN) 4.301 2.501 0.699
assign (resid 1 and name HA#) (resid 2 and name HN) 4.300 2.500 0.700
assign (resid 8 and name HB1) (resid 9 and name HN) 4.517 2.717 0.983
assign (resid 8 and name HB2) (resid 8 and name HB1) 2.397 0.597 0.903
assign (resid 12 and name HB1) (resid 12 and name HA) 4.091 2.291 1.409
assign (resid 12 and name HB2) (resid 12 and name HA) 3.468 1.668 2.032
assign (resid 12 and name HB1) (resid 12 and name HB2) 2.488 0.688 0.812
assign (resid 11 and name HB2) (resid 11 and name HN) 3.564 1.764 1.936
assign (resid 11 and name HB1) (resid 11 and name HN) 3.437 1.637 2.063
assign (resid 11 and name HB2) (resid 11 and name HA) 3.305 1.505 0.595
assign (resid 11 and name HB1) (resid 11 and name HA) 3.290 1.490 0.610
assign (resid 14 and name HB#) (resid 13 and name HA#) 4.160 2.360 0.840
assign (resid 14 and name HB#) (resid 14 and name HA) 3.844 2.044 1.156
assign (resid 14 and name HB#) (resid 14 and name HD#) 3.819 2.019 1.181
assign (resid 14 and name HB#) (resid 14 and name HD#) 2.856 1.056 0.544
assign (resid 14 and name HB1) (resid 14 and name HB2) 2.539 0.739 0.261
assign (resid 4 and name HB) (resid 4 and name HD1#) 3.273 1.473 0.127
assign (resid 4 and name HB) (resid 4 and name HG1#) 3.265 1.465 0.135
assign (resid 4 and name HB) (resid 4 and name HA) 3.236 1.436 0.164
assign (resid 9 and name HB) (resid 9 and name HG12) 3.104 1.304 0.296
assign (resid 14 and name HG#) (resid 14 and name HD#) 3.431 1.631 1.569
assign (resid 6 and name HB2) (resid 6 and name HA) 3.697 1.897 1.303
assign (resid 6 and name HB1) (resid 6 and name HA) 3.629 1.829 1.371
assign (resid 6 and name HB2) (resid 6 and name HN) 3.369 1.569 0.031
assign (resid 4 and name HG1#) (resid 4 and name HA) 3.671 1.871 1.329
assign (resid 4 and name HG1#) (resid 4 and name HG2#) 2.992 1.192 0.408
assign (resid 3 and name HB#) (resid 3 and name HA) 2.751 0.951 0.049
assign (resid 7 and name HB#) (resid 7 and name HA) 2.663 0.863 0.137
assign (resid 7 and name HB#) (resid 7 and name HN) 3.142 1.342 0.258
assign (resid 15 and name HB#) (resid 15 and name HA) 3.208 1.408 0.192
assign (resid 4 and name HG2#) (resid 4 and name HA) 4.310 2.510 0.690
assign (resid 4 and name HD1#) (resid 4 and name HN) 3.901 2.101 1.099
assign (resid 9 and name HG12) (resid 9 and name HN) 3.885 2.085 1.115
assign (resid 9 and name HG11) (resid 9 and name HD1#) 3.048 1.248 0.352
assign (resid 9 and name HG11) (resid 9 and name HG2#) 2.959 1.159 0.441
assign (resid 9 and name HG11) (resid 9 and name HB) 3.489 1.689 1.511
assign (resid 6 and name HD##) (resid 6 and name HB2) 3.060 1.260 0.340
assign (resid 6 and name HB#) (resid 8 and name HN) 4.679 2.879 0.821
assign (resid 6 and name HG) (resid 6 and name HD##) 3.395 1.595 0.005
assign (resid 9 and name HG2#) (resid 9 and name HA) 4.186 2.386 0.814
assign (resid 9 and name HG2#) (resid 9 and name HB) 3.667 1.867 1.333
assign (resid 9 and name HB) (resid 12 and name HD#) 4.367 2.567 1.133
assign (resid 9 and name HD1#) (resid 9 and name HB) 4.438 2.638 0.562
assign (resid 9 and name HD1#) (resid 9 and name HG2#) 3.085 1.285 0.315
assign (resid 11 and name HB1) (resid 12 and name HD#) 4.316 2.516 1.184
assign (resid 3 and name HN) (resid 1 and name HA#) 4.426 2.626 0.574
! assign (resid 8 and name HB1) (resid 8 and name HE3) 3.600 1.800 1.900
assign (resid 13 and name HN) (resid 10 and name HA) 3.047 1.247 0.353
assign (resid 11 and name HN) (resid 10 and name HA) 3.087 1.287 0.813
assign (resid 10 and name HD2) (resid 11 and name HN) 4.149 2.349 1.351
assign (resid 10 and name HD1) (resid 10 and name HD2) 2.690 0.890 0.110
assign (resid 10 and name HD1) (resid 10 and name HB2) 3.597 1.797 1.403
assign (resid 10 and name HB2) (resid 10 and name HG1) 2.627 0.827 0.173
assign (resid 9 and name HB) (resid 10 and name HD1) 3.937 2.137 1.063
assign (resid 10 and name HB1) (resid 10 and name HA) 3.030 1.230 0.370
assign (resid 10 and name HG2) (resid 10 and name HD1) 3.482 1.682 1.518
assign (resid 10 and name HG2) (resid 10 and name HB1) 3.130 1.330 0.270
assign (resid 9 and name HG12) (resid 10 and name HD2) 3.601 1.801 1.399
assign (resid 12 and name HN) (resid 10 and name HG2) 4.283 2.483 1.217
assign (resid 12 and name HN) (resid 10 and name HB2) 4.284 2.484 1.216
assign (resid 10 and name HG1) (resid 10 and name HA) 3.722 1.922 1.278
assign (resid 11 and name HD#) (resid 10 and name HG1) 4.381 2.581 1.119
assign (resid 9 and name HN) (resid 9 and name HA) 4.058 2.258 0.942
assign (resid 9 and name HG2#) (resid 7 and name HB#) 4.331 2.531 0.669
assign (resid 9 and name HG2#) (resid 6 and name HA) 4.376 2.576 0.624
assign (resid 6 and name HB#) (resid 8 and name HN) 4.679 2.879 0.821
assign (resid 8 and name HE3) (resid 9 and name HA) 3.697 1.897 1.803
assign (resid 7 and name HB#) (resid 5 and name HA#) 4.319 2.519 0.681
assign (resid 15 and name HB#) (resid 14 and name HA) 4.827 3.027 0.173
assign (resid 13 and name HN) (resid 12 and name HD#) 3.695 1.895 1.805
assign (resid 14 and name HG#) (resid 14 and name HB#) 2.519 0.719 0.281
assign (resid 14 and name HG#) (resid 14 and name HA) 3.630 1.830 1.370
assign (resid 10 and name HG2) (resid 11 and name HN) 4.461 2.661 1.039
assign (resid 8 and name HD1) (resid 5 and name HA#) 3.997 2.197 1.503
assign (resid 10 and name HD1) (resid 9 and name HG12) 4.261 2.461 0.739
assign (resid 9 and name HN) (resid 6 and name HA) 4.820 3.020 0.180
assign (resid 12 and name HB2) (resid 9 and name HA) 4.425 2.625 1.075
assign (resid 9 and name HN) (resid 7 and name HA) 4.347 2.547 0.653
assign (resid 7 and name HN) (resid 4 and name HG1#) 4.064 2.264 0.936
assign (resid 5 and name HA#) (resid 7 and name HN) 3.986 2.186 1.014
assign (resid 5 and name HA#) (resid 7 and name HN) 4.566 2.766 0.434
assign (resid 9 and name HN) (resid 10 and name HD1) 4.086 2.286 0.914
assign (resid 5 and name HN) (resid 4 and name HG1#) 4.152 2.352 0.848
assign (resid 8 and name HN) (resid 7 and name HB#) 3.713 1.913 1.787
assign (resid 8 and name HB2) (resid 9 and name HN) 4.517 2.717 0.483
assign (resid 12 and name HD#) (resid 9 and name HG2#) 4.236 2.436 1.264
assign (resid 8 and name HN) (resid 9 and name HG2#) 4.644 2.844 0.856
assign (resid 6 and name HN) (resid 4 and name HA) 3.907 2.107 1.093
assign (resid 8 and name HD1) (resid 6 and name HG) 3.423 1.623 2.077
assign (resid 4 and name HN) (resid 6 and name HN) 3.058 1.258 0.342
assign (resid 6 and name HN) (resid 4 and name HD1#) 4.294 2.629 0.571
assign (resid 2 and name HN) (resid 4 and name HN) 4.869 3.069 0.131
assign (resid 10 and name HG2) (resid 7 and name HB#) 4.905 3.105 0.095
assign (resid 14 and name HD#) (resid 14 and name HA) 4.066 2.266 0.934
assign (resid 14 and name HD#) (resid 13 and name HN) 4.386 2.586 0.614
assign (resid 14 and name HD#) (resid 12 and name HN) 4.701 2.901 0.799
assign (resid 14 and name HD#) (resid 15 and name HN) 4.735 2.935 0.265
assign (resid 3 and name HB#) (resid 1 and name HA#) 4.319 2.519 0.681
assign (resid 9 and name HN) (resid 7 and name HB#) 4.667 2.867 0.333
assign (resid 8 and name HH2) (resid 9 and name HG2#) 4.813 3.013 0.687
assign (resid 12 and name HN) (resid 9 and name HG12) 3.978 2.178 1.522
assign (resid 12 and name HD#) (resid 9 and name HB) 3.739 1.939 1.761
assign (resid 12 and name HD#) (resid 9 and name HG12) 3.271 1.471 0.629
assign (resid 13 and name HN) (resid 11 and name HD#) 4.543 2.743 0.957
assign (resid 11 and name HN) (resid 9 and name HG12) 3.474 1.674 2.026
assign (resid 11 and name HD#) (resid 9 and name HA) 4.380 2.580 1.120
assign (resid 11 and name HB#) (resid 13 and name HN) 4.567 2.767 0.933
assign (resid 11 and name HB#) (resid 9 and name HG12) 4.392 2.592 1.108
assign (resid 11 and name HB#) (resid 9 and name HG12) 4.305 2.505 1.195
assign (resid 8 and name HZ3) (resid 9 and name HA) 4.282 2.482 1.218
assign (resid 6 and name HD##) (resid 8 and name HE1) 4.680 2.880 0.820
assign (resid 8 and name HE3) (resid 9 and name HG2#) 5.000 3.200 0.500
assign (resid 10 and name HD1) (resid 8 and name HN) 4.697 2.897 0.803
assign (resid 6 and name HN) (resid 8 and name HN) 3.977 2.177 1.523
assign (resid 8 and name HN) (resid 9 and name HD1#) 4.845 3.045 0.655
assign (resid 12 and name HN) (resid 8 and name HZ3) 4.740 2.940 1.260
assign (resid 7 and name HN) (resid 9 and name HN) 4.876 3.076 0.124
assign (resid 5 and name HN) (resid 4 and name HD1#) 4.241 2.441 0.759
assign (resid 10 and name HD1) (resid 8 and name HN) 4.697 2.897 0.803
assign (resid 9 and name HN) (resid 10 and name HD2) 4.327 2.527 0.673
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1  -4.500  -1.834 -10.577
    2    H2   GLY   1           2HT      GLY   1  -5.783  -2.419 -11.511
    3    H3   GLY   1           3HT      GLY   1  -5.855  -2.515  -9.825
    4    HA2  GLY   1           1HA      GLY   1  -6.545  -0.346 -11.564
    5    HA3  GLY   1           2HA      GLY   1  -7.019  -0.635  -9.897
    6    H    ALA   2           H        ALA   2  -4.531  -0.685  -8.664
    7    HA   ALA   2           HA       ALA   2  -2.994   0.696  -7.708
    8    HB1  ALA   2           3HB      ALA   2  -2.139   0.611 -10.097
    9    HB2  ALA   2           1HB      ALA   2  -1.610   1.978  -9.116
   10    HB3  ALA   2           2HB      ALA   2  -2.888   2.193 -10.312
   11    H    ALA   3           H        ALA   3  -5.838   1.366  -7.585
   12    HA   ALA   3           HA       ALA   3  -5.720   4.297  -7.387
   13    HB1  ALA   3           3HB      ALA   3  -8.320   2.976  -7.015
   14    HB2  ALA   3           1HB      ALA   3  -7.599   2.785  -8.613
   15    HB3  ALA   3           2HB      ALA   3  -7.892   4.399  -7.966
   16    H    ILE   4           H        ILE   4  -7.521   1.753  -5.659
   17    HA   ILE   4           HA       ILE   4  -6.413   2.700  -3.134
   18    HB   ILE   4           HB       ILE   4  -8.462   3.993  -3.387
   19   HG12  ILE   4          2HG1      ILE   4  -9.592   3.302  -1.301
   20   HG13  ILE   4          1HG1      ILE   4  -8.743   1.761  -1.359
   21   HG21  ILE   4          1HG2      ILE   4  -9.499   2.140  -4.865
   22   HG22  ILE   4          2HG2      ILE   4 -10.554   3.102  -3.829
   23   HG23  ILE   4          3HG2      ILE   4 -10.077   1.476  -3.338
   24   HD11  ILE   4          3HD1      ILE   4  -7.919   3.936   0.024
   25   HD12  ILE   4          1HD1      ILE   4  -7.002   4.110  -1.471
   26   HD13  ILE   4          2HD1      ILE   4  -6.865   2.631  -0.520
   27    H    GLY   5           H        GLY   5  -8.457   0.368  -4.778
   28    HA2  GLY   5           2HA      GLY   5  -8.702  -1.565  -2.804
   29    HA3  GLY   5           1HA      GLY   5  -8.674  -1.908  -4.529
   30    H    LEU   6           H        LEU   6  -5.902  -0.693  -4.645
   31    HA   LEU   6           HA       LEU   6  -4.450  -2.966  -3.457
   32    HG   LEU   6           HG       LEU   6  -1.802  -2.403  -5.085
   33    HB2  LEU   6           2HB      LEU   6  -4.615  -3.149  -5.901
   34    HB3  LEU   6           1HB      LEU   6  -3.894  -1.560  -6.073
   35   HD11  LEU   6          1HD1      LEU   6  -3.488  -4.773  -4.622
   36   HD12  LEU   6          2HD1      LEU   6  -2.111  -4.159  -3.708
   37   HD13  LEU   6          3HD1      LEU   6  -1.846  -5.092  -5.181
   38   HD21  LEU   6          3HD2      LEU   6  -1.050  -3.573  -6.991
   39   HD22  LEU   6          1HD2      LEU   6  -2.324  -2.495  -7.561
   40   HD23  LEU   6          2HD2      LEU   6  -2.659  -4.211  -7.330
   41    H    ALA   7           H        ALA   7  -4.494  -1.143  -1.714
   42    HA   ALA   7           HA       ALA   7  -2.079   0.509  -2.085
   43    HB1  ALA   7           3HB      ALA   7  -3.280   1.882  -0.173
   44    HB2  ALA   7           1HB      ALA   7  -4.718   1.163  -0.898
   45    HB3  ALA   7           2HB      ALA   7  -3.637   2.154  -1.879
   46    H    TRP   8           H        TRP   8  -1.840  -2.082  -1.207
   47    HA   TRP   8           HA       TRP   8  -1.149  -1.714   1.642
   48    HD1  TRP   8           HD       TRP   8  -3.793  -3.656  -1.144
   49    HE1  TRP   8           1HE      TRP   8  -3.393  -5.633  -2.743
   50    HE3  TRP   8           3HE      TRP   8   0.078  -5.911   1.311
   51    HZ2  TRP   8           2HZ      TRP   8  -1.644  -7.842  -2.950
   52    HZ3  TRP   8           3HZ      TRP   8   1.076  -7.935   0.338
   53    HH2  TRP   8           HH       TRP   8   0.230  -8.881  -1.750
   54    HB2  TRP   8           2HB      TRP   8  -1.546  -4.139   1.956
   55    HB3  TRP   8           1HB      TRP   8  -3.016  -3.292   1.457
   56    H    ILE   9           H        ILE   9  -0.387  -3.110  -1.458
   57    HA   ILE   9           HA       ILE   9   1.936  -4.500  -0.773
   58    HB   ILE   9           HB       ILE   9   0.765  -4.874  -2.866
   59   HG12  ILE   9          2HG1      ILE   9   3.630  -3.951  -3.145
   60   HG13  ILE   9          1HG1      ILE   9   3.068  -5.572  -2.752
   61   HG21  ILE   9          1HG2      ILE   9   1.862  -2.229  -3.798
   62   HG22  ILE   9          2HG2      ILE   9   0.200  -2.475  -3.262
   63   HG23  ILE   9          3HG2      ILE   9   0.803  -3.328  -4.683
   64   HD11  ILE   9          3HD1      ILE   9   3.613  -4.489  -5.290
   65   HD12  ILE   9          1HD1      ILE   9   1.875  -4.772  -5.202
   66   HD13  ILE   9          2HD1      ILE   9   3.001  -6.095  -4.893
   67    HA   PRO  10           HA       PRO  10   4.033  -0.144  -2.313
   68    HB2  PRO  10           2HB      PRO  10   2.995   1.510  -0.214
   69    HB3  PRO  10           1HB      PRO  10   2.840   1.738  -1.958
   70    HG2  PRO  10           2HG      PRO  10   0.948   0.515  -0.036
   71    HG3  PRO  10           1HG      PRO  10   0.619   1.349  -1.565
   72    HD2  PRO  10           2HD      PRO  10   0.358  -1.289  -1.370
   73    HD3  PRO  10           1HD      PRO  10   1.046  -0.561  -2.835
   74    H    TYR  11           H        TYR  11   3.107  -1.470   0.792
   75    HA   TYR  11           HA       TYR  11   5.235  -0.529   2.353
   76    HD1  TYR  11           1HD      TYR  11   1.895  -0.927   1.978
   77    HD2  TYR  11           2HD      TYR  11   3.959  -1.580   5.642
   78    HE1  TYR  11           1HE      TYR  11   0.240   0.455   3.150
   79    HE2  TYR  11           2HE      TYR  11   2.305  -0.200   6.823
   80    HH   TYR  11           HH       TYR  11   0.049   0.594   6.571
   81    HB2  TYR  11           2HB      TYR  11   3.558  -3.031   2.543
   82    HB3  TYR  11           1HB      TYR  11   4.760  -2.596   3.751
   83    H    PHE  12           H        PHE  12   4.930  -3.301   0.208
   84    HA   PHE  12           HA       PHE  12   7.568  -4.295   0.878
   85    HD1  PHE  12           1HD      PHE  12   3.976  -4.741   0.727
   86    HD2  PHE  12           2HD      PHE  12   6.944  -7.789   0.601
   87    HE1  PHE  12           1HE      PHE  12   2.725  -6.024   2.413
   88    HE2  PHE  12           2HE      PHE  12   5.692  -9.080   2.283
   89    HZ   PHE  12           HZ       PHE  12   3.581  -8.197   3.190
   90    HB2  PHE  12           2HB      PHE  12   5.646  -5.174  -1.293
   91    HB3  PHE  12           1HB      PHE  12   7.127  -6.014  -0.828
   92    H    GLY  13           H        GLY  13   6.041  -2.355  -1.590
   93    HA2  GLY  13           2HA      GLY  13   7.852  -0.778  -2.527
   94    HA3  GLY  13           1HA      GLY  13   8.557  -2.276  -3.115
   95    HA   PRO  14           HA       PRO  14   4.564  -0.569  -5.580
   96    HB2  PRO  14           2HB      PRO  14   6.513   1.341  -6.792
   97    HB3  PRO  14           1HB      PRO  14   4.779   1.540  -6.487
   98    HG2  PRO  14           2HG      PRO  14   6.577   2.715  -4.913
   99    HG3  PRO  14           1HG      PRO  14   5.098   2.007  -4.235
  100    HD2  PRO  14           2HD      PRO  14   7.896   0.977  -4.174
  101    HD3  PRO  14           1HD      PRO  14   6.614   0.840  -2.954
  102    H    ALA  15           H        ALA  15   7.991  -0.716  -6.492
  103    HA   ALA  15           HA       ALA  15   7.253  -2.151  -8.945
  104    HB1  ALA  15           3HB      ALA  15   8.676  -0.550  -9.697
  105    HB2  ALA  15           1HB      ALA  15   9.874  -1.773  -9.270
  106    HB3  ALA  15           2HB      ALA  15   9.540  -0.440  -8.164
  107    H    ALA  16           H        ALA  16   6.815  -3.775  -6.946
  108    HA   ALA  16           HA       ALA  16   8.970  -5.185  -5.843
  109    HB1  ALA  16           3HB      ALA  16   6.939  -5.564  -4.791
  110    HB2  ALA  16           1HB      ALA  16   7.201  -7.065  -5.680
  111    HB3  ALA  16           2HB      ALA  16   6.090  -5.850  -6.311
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1  -5.606   7.030   2.843
    2    H2   GLY   1           2HT      GLY   1  -5.107   8.589   2.414
    3    H3   GLY   1           3HT      GLY   1  -3.957   7.377   2.680
    4    HA2  GLY   1           1HA      GLY   1  -4.593   8.021   0.269
    5    HA3  GLY   1           2HA      GLY   1  -4.340   6.336   0.698
    6    H    ALA   2           H        ALA   2  -5.753   6.630  -1.476
    7    HA   ALA   2           HA       ALA   2  -8.577   6.900  -0.956
    8    HB1  ALA   2           3HB      ALA   2  -8.830   7.002  -3.196
    9    HB2  ALA   2           1HB      ALA   2  -7.707   5.677  -3.492
   10    HB3  ALA   2           2HB      ALA   2  -7.091   7.297  -3.169
   11    H    ALA   3           H        ALA   3  -6.264   4.296  -1.363
   12    HA   ALA   3           HA       ALA   3  -6.407   2.048  -1.052
   13    HB1  ALA   3           3HB      ALA   3  -7.612   3.095   1.070
   14    HB2  ALA   3           1HB      ALA   3  -7.537   1.353   0.797
   15    HB3  ALA   3           2HB      ALA   3  -8.997   2.249   0.378
   16    H    ILE   4           H        ILE   4  -6.924   2.193  -3.457
   17    HA   ILE   4           HA       ILE   4  -9.629   1.634  -4.231
   18    HB   ILE   4           HB       ILE   4  -8.679   1.444  -6.478
   19   HG12  ILE   4          2HG1      ILE   4  -6.036   1.955  -5.117
   20   HG13  ILE   4          1HG1      ILE   4  -6.516   0.451  -5.897
   21   HG21  ILE   4          1HG2      ILE   4  -7.551   3.877  -5.144
   22   HG22  ILE   4          2HG2      ILE   4  -9.280   3.639  -5.391
   23   HG23  ILE   4          3HG2      ILE   4  -8.197   3.730  -6.778
   24   HD11  ILE   4          3HD1      ILE   4  -5.606   1.211  -7.760
   25   HD12  ILE   4          1HD1      ILE   4  -5.321   2.791  -7.030
   26   HD13  ILE   4          2HD1      ILE   4  -6.861   2.449  -7.819
   27    H    GLY   5           H        GLY   5  -7.367  -0.236  -2.771
   28    HA2  GLY   5           2HA      GLY   5  -8.147  -2.591  -2.485
   29    HA3  GLY   5           1HA      GLY   5  -8.206  -2.658  -4.240
   30    H    LEU   6           H        LEU   6  -5.657  -0.908  -4.144
   31    HA   LEU   6           HA       LEU   6  -3.780  -3.077  -3.474
   32    HG   LEU   6           HG       LEU   6  -4.001  -4.248  -5.760
   33    HB2  LEU   6           2HB      LEU   6  -3.668  -1.247  -5.875
   34    HB3  LEU   6           1HB      LEU   6  -2.409  -2.375  -5.416
   35   HD11  LEU   6          1HD1      LEU   6  -6.167  -3.699  -5.673
   36   HD12  LEU   6          2HD1      LEU   6  -5.965  -3.255  -7.369
   37   HD13  LEU   6          3HD1      LEU   6  -5.860  -2.019  -6.115
   38   HD21  LEU   6          3HD2      LEU   6  -2.461  -3.111  -7.552
   39   HD22  LEU   6          1HD2      LEU   6  -4.002  -2.670  -8.286
   40   HD23  LEU   6          2HD2      LEU   6  -3.608  -4.368  -8.014
   41    H    ALA   7           H        ALA   7  -4.422  -1.041  -1.703
   42    HA   ALA   7           HA       ALA   7  -2.183   0.848  -1.864
   43    HB1  ALA   7           3HB      ALA   7  -3.328   2.120  -0.153
   44    HB2  ALA   7           1HB      ALA   7  -4.541   0.850   0.009
   45    HB3  ALA   7           2HB      ALA   7  -4.426   1.775  -1.489
   46    H    TRP   8           H        TRP   8  -2.142  -2.089  -1.020
   47    HA   TRP   8           HA       TRP   8  -0.975  -1.717   1.661
   48    HD1  TRP   8           HD       TRP   8  -3.845  -3.572  -0.905
   49    HE1  TRP   8           1HE      TRP   8  -3.637  -5.528  -2.566
   50    HE3  TRP   8           3HE      TRP   8   0.160  -5.968   1.169
   51    HZ2  TRP   8           2HZ      TRP   8  -1.975  -7.778  -2.955
   52    HZ3  TRP   8           3HZ      TRP   8   1.013  -8.002   0.084
   53    HH2  TRP   8           HH       TRP   8  -0.036  -8.887  -1.938
   54    HB2  TRP   8           2HB      TRP   8  -1.312  -4.154   1.958
   55    HB3  TRP   8           1HB      TRP   8  -2.833  -3.308   1.650
   56    H    ILE   9           H        ILE   9  -0.542  -3.159  -1.514
   57    HA   ILE   9           HA       ILE   9   1.820  -4.527  -1.101
   58    HB   ILE   9           HB       ILE   9   0.626  -4.860  -3.125
   59   HG12  ILE   9          2HG1      ILE   9   3.119  -5.132  -3.113
   60   HG13  ILE   9          1HG1      ILE   9   2.408  -4.923  -4.708
   61   HG21  ILE   9          1HG2      ILE   9   1.363  -2.152  -4.160
   62   HG22  ILE   9          2HG2      ILE   9  -0.128  -2.431  -3.268
   63   HG23  ILE   9          3HG2      ILE   9   0.172  -3.294  -4.774
   64   HD11  ILE   9          3HD1      ILE   9   3.917  -3.342  -5.065
   65   HD12  ILE   9          1HD1      ILE   9   4.448  -3.399  -3.386
   66   HD13  ILE   9          2HD1      ILE   9   3.108  -2.354  -3.852
   67    HA   PRO  10           HA       PRO  10   4.046  -0.216  -2.449
   68    HB2  PRO  10           2HB      PRO  10   2.957   1.510  -0.451
   69    HB3  PRO  10           1HB      PRO  10   2.852   1.690  -2.202
   70    HG2  PRO  10           2HG      PRO  10   0.890   0.545  -0.298
   71    HG3  PRO  10           1HG      PRO  10   0.611   1.369  -1.842
   72    HD2  PRO  10           2HD      PRO  10   0.292  -1.266  -1.621
   73    HD3  PRO  10           1HD      PRO  10   1.018  -0.564  -3.082
   74    H    TYR  11           H        TYR  11   2.853  -1.456   0.595
   75    HA   TYR  11           HA       TYR  11   4.812  -0.603   2.363
   76    HD1  TYR  11           2HD      TYR  11   2.827   0.203   2.266
   77    HD2  TYR  11           1HD      TYR  11   1.700  -3.279   4.442
   78    HE1  TYR  11           2HE      TYR  11   0.815   1.362   3.070
   79    HE2  TYR  11           1HE      TYR  11  -0.314  -2.124   5.252
   80    HH   TYR  11           HH       TYR  11  -0.762   1.218   4.958
   81    HB2  TYR  11           2HB      TYR  11   3.325  -3.236   2.282
   82    HB3  TYR  11           1HB      TYR  11   4.228  -2.639   3.671
   83    H    PHE  12           H        PHE  12   4.807  -3.319   0.113
   84    HA   PHE  12           HA       PHE  12   7.374  -4.282   1.013
   85    HD1  PHE  12           1HD      PHE  12   3.973  -4.823   0.752
   86    HD2  PHE  12           2HD      PHE  12   6.940  -7.830   0.246
   87    HE1  PHE  12           1HE      PHE  12   2.726  -6.302   2.268
   88    HE2  PHE  12           2HE      PHE  12   5.697  -9.318   1.760
   89    HZ   PHE  12           HZ       PHE  12   3.584  -8.554   2.771
   90    HB2  PHE  12           2HB      PHE  12   5.664  -5.068  -1.357
   91    HB3  PHE  12           1HB      PHE  12   7.168  -5.873  -0.898
   92    H    GLY  13           H        GLY  13   6.146  -2.209  -1.511
   93    HA2  GLY  13           2HA      GLY  13   8.267  -0.693  -2.040
   94    HA3  GLY  13           1HA      GLY  13   8.711  -2.164  -2.892
   95    HA   PRO  14           HA       PRO  14   5.013   0.170  -5.075
   96    HB2  PRO  14           2HB      PRO  14   5.684   2.777  -5.451
   97    HB3  PRO  14           1HB      PRO  14   4.718   2.217  -4.075
   98    HG2  PRO  14           2HG      PRO  14   7.644   2.843  -4.209
   99    HG3  PRO  14           1HG      PRO  14   6.466   3.264  -2.953
  100    HD2  PRO  14           2HD      PRO  14   8.184   1.194  -2.690
  101    HD3  PRO  14           1HD      PRO  14   6.552   1.167  -1.993
  102    H    ALA  15           H        ALA  15   8.456   0.779  -5.325
  103    HA   ALA  15           HA       ALA  15   8.334   1.122  -8.205
  104    HB1  ALA  15           3HB      ALA  15  10.603   1.164  -6.232
  105    HB2  ALA  15           1HB      ALA  15   9.914   2.516  -7.130
  106    HB3  ALA  15           2HB      ALA  15  10.844   1.279  -7.975
  107    H    ALA  16           H        ALA  16   8.802  -1.408  -5.936
  108    HA   ALA  16           HA       ALA  16  10.194  -3.147  -7.791
  109    HB1  ALA  16           3HB      ALA  16   9.010  -3.920  -5.135
  110    HB2  ALA  16           1HB      ALA  16  10.581  -3.135  -5.296
  111    HB3  ALA  16           2HB      ALA  16  10.308  -4.717  -6.025
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1  -4.483  -4.622   1.840
    2    H2   GLY   1           2HT      GLY   1  -5.955  -4.601   2.671
    3    H3   GLY   1           3HT      GLY   1  -4.664  -3.655   3.214
    4    HA2  GLY   1           1HA      GLY   1  -4.758  -2.305   1.219
    5    HA3  GLY   1           2HA      GLY   1  -6.081  -3.301   0.630
    6    H    ALA   2           H        ALA   2  -8.128  -2.843   1.246
    7    HA   ALA   2           HA       ALA   2  -9.883  -1.693   2.124
    8    HB1  ALA   2           3HB      ALA   2  -9.976  -1.543   4.387
    9    HB2  ALA   2           1HB      ALA   2  -8.370  -0.824   4.518
   10    HB3  ALA   2           2HB      ALA   2  -8.540  -2.560   4.256
   11    H    ALA   3           H        ALA   3  -9.052  -0.232   0.264
   12    HA   ALA   3           HA       ALA   3  -9.379   2.454   1.085
   13    HB1  ALA   3           3HB      ALA   3  -7.140   2.469   1.810
   14    HB2  ALA   3           1HB      ALA   3  -7.122   3.254   0.231
   15    HB3  ALA   3           2HB      ALA   3  -6.589   1.580   0.390
   16    H    ILE   4           H        ILE   4  -7.299   1.240  -1.522
   17    HA   ILE   4           HA       ILE   4  -9.308   2.206  -3.449
   18    HB   ILE   4           HB       ILE   4  -6.316   2.015  -3.820
   19   HG12  ILE   4          2HG1      ILE   4  -8.120   4.423  -3.481
   20   HG13  ILE   4          1HG1      ILE   4  -6.968   3.823  -2.292
   21   HG21  ILE   4          1HG2      ILE   4  -6.893   1.897  -5.986
   22   HG22  ILE   4          2HG2      ILE   4  -7.250   3.615  -5.815
   23   HG23  ILE   4          3HG2      ILE   4  -8.546   2.427  -5.677
   24   HD11  ILE   4          3HD1      ILE   4  -5.746   4.343  -4.874
   25   HD12  ILE   4          1HD1      ILE   4  -5.272   4.880  -3.262
   26   HD13  ILE   4          2HD1      ILE   4  -6.499   5.771  -4.163
   27    H    GLY   5           H        GLY   5  -7.516  -0.503  -2.360
   28    HA2  GLY   5           2HA      GLY   5  -8.500  -2.662  -3.100
   29    HA3  GLY   5           1HA      GLY   5  -8.383  -2.031  -4.737
   30    H    LEU   6           H        LEU   6  -5.705  -0.797  -3.741
   31    HA   LEU   6           HA       LEU   6  -4.049  -3.164  -3.500
   32    HG   LEU   6           HG       LEU   6  -1.590  -2.208  -5.232
   33    HB2  LEU   6           2HB      LEU   6  -4.439  -2.935  -5.932
   34    HB3  LEU   6           1HB      LEU   6  -3.786  -1.311  -5.870
   35   HD11  LEU   6          1HD1      LEU   6  -1.175  -4.605  -5.275
   36   HD12  LEU   6          2HD1      LEU   6  -2.890  -4.906  -5.556
   37   HD13  LEU   6          3HD1      LEU   6  -2.359  -4.194  -4.034
   38   HD21  LEU   6          3HD2      LEU   6  -1.041  -3.261  -7.360
   39   HD22  LEU   6          1HD2      LEU   6  -2.117  -1.885  -7.594
   40   HD23  LEU   6          2HD2      LEU   6  -2.755  -3.526  -7.680
   41    H    ALA   7           H        ALA   7  -4.640  -0.817  -1.891
   42    HA   ALA   7           HA       ALA   7  -2.146   0.708  -1.984
   43    HB1  ALA   7           3HB      ALA   7  -3.431   1.892   0.002
   44    HB2  ALA   7           1HB      ALA   7  -4.822   1.145  -0.783
   45    HB3  ALA   7           2HB      ALA   7  -3.789   2.253  -1.688
   46    H    TRP   8           H        TRP   8  -1.875  -1.961  -1.247
   47    HA   TRP   8           HA       TRP   8  -1.126  -1.708   1.597
   48    HD1  TRP   8           HD       TRP   8  -3.872  -3.489  -1.182
   49    HE1  TRP   8           1HE      TRP   8  -3.554  -5.405  -2.872
   50    HE3  TRP   8           3HE      TRP   8   0.017  -5.920   1.071
   51    HZ2  TRP   8           2HZ      TRP   8  -1.858  -7.638  -3.217
   52    HZ3  TRP   8           3HZ      TRP   8   0.946  -7.922  -0.011
   53    HH2  TRP   8           HH       TRP   8   0.026  -8.763  -2.112
   54    HB2  TRP   8           2HB      TRP   8  -1.546  -4.143   1.828
   55    HB3  TRP   8           1HB      TRP   8  -3.014  -3.253   1.411
   56    H    ILE   9           H        ILE   9  -0.447  -2.997  -1.572
   57    HA   ILE   9           HA       ILE   9   1.859  -4.454  -0.986
   58    HB   ILE   9           HB       ILE   9   0.674  -4.722  -3.078
   59   HG12  ILE   9          2HG1      ILE   9   3.535  -3.791  -3.356
   60   HG13  ILE   9          1HG1      ILE   9   2.975  -5.430  -3.038
   61   HG21  ILE   9          1HG2      ILE   9   0.672  -3.100  -4.819
   62   HG22  ILE   9          2HG2      ILE   9   1.762  -2.046  -3.918
   63   HG23  ILE   9          3HG2      ILE   9   0.113  -2.302  -3.348
   64   HD11  ILE   9          3HD1      ILE   9   3.480  -4.214  -5.527
   65   HD12  ILE   9          1HD1      ILE   9   1.745  -4.513  -5.425
   66   HD13  ILE   9          2HD1      ILE   9   2.883  -5.842  -5.201
   67    HA   PRO  10           HA       PRO  10   4.077  -0.116  -2.338
   68    HB2  PRO  10           2HB      PRO  10   3.041   1.559  -0.269
   69    HB3  PRO  10           1HB      PRO  10   2.897   1.783  -2.012
   70    HG2  PRO  10           2HG      PRO  10   0.976   0.591  -0.096
   71    HG3  PRO  10           1HG      PRO  10   0.664   1.455  -1.613
   72    HD2  PRO  10           2HD      PRO  10   0.344  -1.180  -1.455
   73    HD3  PRO  10           1HD      PRO  10   1.047  -0.446  -2.911
   74    H    TYR  11           H        TYR  11   3.015  -1.489   0.686
   75    HA   TYR  11           HA       TYR  11   5.072  -0.634   2.375
   76    HD1  TYR  11           1HD      TYR  11   1.786  -0.914   1.842
   77    HD2  TYR  11           2HD      TYR  11   3.628  -1.858   5.559
   78    HE1  TYR  11           1HE      TYR  11   0.107   0.443   3.012
   79    HE2  TYR  11           2HE      TYR  11   1.950  -0.504   6.739
   80    HH   TYR  11           HH       TYR  11   0.429   1.466   6.149
   81    HB2  TYR  11           2HB      TYR  11   3.353  -3.111   2.369
   82    HB3  TYR  11           1HB      TYR  11   4.512  -2.768   3.651
   83    H    PHE  12           H        PHE  12   4.853  -3.331   0.121
   84    HA   PHE  12           HA       PHE  12   7.359  -4.484   0.906
   85    HD1  PHE  12           1HD      PHE  12   3.866  -4.791   0.459
   86    HD2  PHE  12           2HD      PHE  12   6.737  -7.890  -0.068
   87    HE1  PHE  12           1HE      PHE  12   2.485  -6.297   1.824
   88    HE2  PHE  12           2HE      PHE  12   5.355  -9.403   1.293
   89    HZ   PHE  12           HZ       PHE  12   3.227  -8.608   2.241
   90    HB2  PHE  12           2HB      PHE  12   5.646  -4.953  -1.545
   91    HB3  PHE  12           1HB      PHE  12   7.075  -5.897  -1.126
   92    H    GLY  13           H        GLY  13   6.318  -2.072  -1.370
   93    HA2  GLY  13           2HA      GLY  13   9.133  -1.711  -2.166
   94    HA3  GLY  13           1HA      GLY  13   7.867  -1.727  -3.385
   95    HA   PRO  14           HA       PRO  14   7.170   2.253  -0.594
   96    HB2  PRO  14           2HB      PRO  14   9.548   3.073   0.568
   97    HB3  PRO  14           1HB      PRO  14   8.241   2.233   1.414
   98    HG2  PRO  14           2HG      PRO  14  10.780   1.140   0.282
   99    HG3  PRO  14           1HG      PRO  14   9.942   0.713   1.784
  100    HD2  PRO  14           2HD      PRO  14   9.810  -0.845  -0.399
  101    HD3  PRO  14           1HD      PRO  14   8.423  -0.655   0.696
  102    H    ALA  15           H        ALA  15  10.666   2.380  -1.224
  103    HA   ALA  15           HA       ALA  15  11.909   3.615  -2.675
  104    HB1  ALA  15           3HB      ALA  15   9.637   3.695  -4.610
  105    HB2  ALA  15           1HB      ALA  15  10.414   2.156  -4.234
  106    HB3  ALA  15           2HB      ALA  15  11.361   3.481  -4.909
  107    H    ALA  16           H        ALA  16  12.117   5.542  -1.620
  108    HA   ALA  16           HA       ALA  16  10.679   7.781  -2.726
  109    HB1  ALA  16           3HB      ALA  16  10.543   7.815   0.217
  110    HB2  ALA  16           1HB      ALA  16   9.457   6.685  -0.592
  111    HB3  ALA  16           2HB      ALA  16   9.392   8.404  -0.982
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1  -4.336   5.089   4.162
    2    H2   GLY   1           2HT      GLY   1  -4.830   3.581   4.747
    3    H3   GLY   1           3HT      GLY   1  -4.796   4.920   5.780
    4    HA2  GLY   1           1HA      GLY   1  -7.003   4.041   4.573
    5    HA3  GLY   1           2HA      GLY   1  -6.765   5.699   5.101
    6    H    ALA   2           H        ALA   2  -6.295   3.535   2.330
    7    HA   ALA   2           HA       ALA   2  -6.589   5.873   0.561
    8    HB1  ALA   2           3HB      ALA   2  -5.333   4.707  -1.105
    9    HB2  ALA   2           1HB      ALA   2  -5.345   3.224  -0.152
   10    HB3  ALA   2           2HB      ALA   2  -4.433   4.626   0.408
   11    H    ALA   3           H        ALA   3  -7.510   2.478   1.001
   12    HA   ALA   3           HA       ALA   3  -9.296   1.271   0.275
   13    HB1  ALA   3           3HB      ALA   3 -10.848   2.570   1.321
   14    HB2  ALA   3           1HB      ALA   3 -11.348   2.831  -0.350
   15    HB3  ALA   3           2HB      ALA   3 -10.358   4.037   0.472
   16    H    ILE   4           H        ILE   4  -7.437   1.423  -1.613
   17    HA   ILE   4           HA       ILE   4  -8.850   2.111  -4.103
   18    HB   ILE   4           HB       ILE   4  -5.883   1.723  -3.685
   19   HG12  ILE   4          2HG1      ILE   4  -7.501   4.251  -4.074
   20   HG13  ILE   4          1HG1      ILE   4  -6.705   3.753  -2.585
   21   HG21  ILE   4          1HG2      ILE   4  -7.570   1.998  -6.063
   22   HG22  ILE   4          2HG2      ILE   4  -5.938   1.351  -5.896
   23   HG23  ILE   4          3HG2      ILE   4  -6.187   3.093  -6.022
   24   HD11  ILE   4          3HD1      ILE   4  -5.212   4.243  -5.140
   25   HD12  ILE   4          1HD1      ILE   4  -4.563   4.091  -3.508
   26   HD13  ILE   4          2HD1      ILE   4  -5.525   5.503  -3.947
   27    H    GLY   5           H        GLY   5  -7.637  -0.463  -2.211
   28    HA2  GLY   5           2HA      GLY   5  -8.180  -2.727  -2.604
   29    HA3  GLY   5           1HA      GLY   5  -8.395  -2.355  -4.308
   30    H    LEU   6           H        LEU   6  -5.590  -0.892  -3.302
   31    HA   LEU   6           HA       LEU   6  -3.838  -3.168  -3.436
   32    HG   LEU   6           HG       LEU   6  -1.575  -2.004  -5.306
   33    HB2  LEU   6           2HB      LEU   6  -4.438  -2.831  -5.810
   34    HB3  LEU   6           1HB      LEU   6  -3.853  -1.183  -5.713
   35   HD11  LEU   6          1HD1      LEU   6  -1.090  -4.403  -5.579
   36   HD12  LEU   6          2HD1      LEU   6  -2.824  -4.729  -5.606
   37   HD13  LEU   6          3HD1      LEU   6  -2.074  -4.067  -4.154
   38   HD21  LEU   6          3HD2      LEU   6  -2.598  -3.482  -7.696
   39   HD22  LEU   6          1HD2      LEU   6  -1.106  -2.562  -7.506
   40   HD23  LEU   6          2HD2      LEU   6  -2.650  -1.719  -7.638
   41    H    ALA   7           H        ALA   7  -4.415  -0.872  -1.695
   42    HA   ALA   7           HA       ALA   7  -2.011   0.768  -1.903
   43    HB1  ALA   7           3HB      ALA   7  -3.839   1.100   0.390
   44    HB2  ALA   7           1HB      ALA   7  -4.500   1.452  -1.207
   45    HB3  ALA   7           2HB      ALA   7  -3.069   2.310  -0.635
   46    H    TRP   8           H        TRP   8  -2.053  -2.153  -1.111
   47    HA   TRP   8           HA       TRP   8  -0.857  -1.920   1.562
   48    HD1  TRP   8           HD       TRP   8  -3.791  -3.495  -1.007
   49    HE1  TRP   8           1HE      TRP   8  -3.760  -5.318  -2.825
   50    HE3  TRP   8           3HE      TRP   8   0.186  -6.227   0.662
   51    HZ2  TRP   8           2HZ      TRP   8  -2.233  -7.603  -3.474
   52    HZ3  TRP   8           3HZ      TRP   8   0.883  -8.199  -0.621
   53    HH2  TRP   8           HH       TRP   8  -0.304  -8.878  -2.645
   54    HB2  TRP   8           2HB      TRP   8  -1.117  -4.414   1.642
   55    HB3  TRP   8           1HB      TRP   8  -2.644  -3.534   1.530
   56    H    ILE   9           H        ILE   9  -0.341  -3.129  -1.700
   57    HA   ILE   9           HA       ILE   9   2.113  -4.408  -1.333
   58    HB   ILE   9           HB       ILE   9   0.983  -4.716  -3.394
   59   HG12  ILE   9          2HG1      ILE   9   3.489  -4.725  -3.392
   60   HG13  ILE   9          1HG1      ILE   9   2.757  -4.475  -4.973
   61   HG21  ILE   9          1HG2      ILE   9   1.429  -1.895  -4.276
   62   HG22  ILE   9          2HG2      ILE   9  -0.002  -2.347  -3.360
   63   HG23  ILE   9          3HG2      ILE   9   0.325  -3.107  -4.915
   64   HD11  ILE   9          3HD1      ILE   9   3.171  -1.916  -3.979
   65   HD12  ILE   9          1HD1      ILE   9   4.144  -2.755  -5.185
   66   HD13  ILE   9          2HD1      ILE   9   4.594  -2.824  -3.482
   67    HA   PRO  10           HA       PRO  10   4.046   0.116  -2.362
   68    HB2  PRO  10           2HB      PRO  10   2.806   1.661  -0.325
   69    HB3  PRO  10           1HB      PRO  10   2.677   1.905  -2.069
   70    HG2  PRO  10           2HG      PRO  10   0.836   0.492  -0.208
   71    HG3  PRO  10           1HG      PRO  10   0.461   1.415  -1.676
   72    HD2  PRO  10           2HD      PRO  10   0.340  -1.236  -1.686
   73    HD3  PRO  10           1HD      PRO  10   1.028  -0.372  -3.079
   74    H    TYR  11           H        TYR  11   2.767  -1.339   0.537
   75    HA   TYR  11           HA       TYR  11   4.620  -0.547   2.445
   76    HD1  TYR  11           2HD      TYR  11   2.625   0.239   2.300
   77    HD2  TYR  11           1HD      TYR  11   1.448  -3.381   4.205
   78    HE1  TYR  11           2HE      TYR  11   0.557   1.321   3.069
   79    HE2  TYR  11           1HE      TYR  11  -0.622  -2.305   4.979
   80    HH   TYR  11           HH       TYR  11  -1.432   0.012   5.442
   81    HB2  TYR  11           2HB      TYR  11   3.176  -3.188   2.134
   82    HB3  TYR  11           1HB      TYR  11   4.001  -2.664   3.600
   83    H    PHE  12           H        PHE  12   4.618  -3.499   0.432
   84    HA   PHE  12           HA       PHE  12   7.485  -3.787   1.033
   85    HD1  PHE  12           1HD      PHE  12   6.070  -5.874  -2.046
   86    HD2  PHE  12           2HD      PHE  12   4.003  -6.383   1.635
   87    HE1  PHE  12           1HE      PHE  12   4.124  -6.738  -3.268
   88    HE2  PHE  12           2HE      PHE  12   2.051  -7.247   0.423
   89    HZ   PHE  12           HZ       PHE  12   2.113  -7.431  -2.039
   90    HB2  PHE  12           2HB      PHE  12   7.205  -6.133   0.310
   91    HB3  PHE  12           1HB      PHE  12   6.183  -5.714   1.681
   92    H    GLY  13           H        GLY  13   6.148  -2.063  -1.089
   93    HA2  GLY  13           2HA      GLY  13   8.103  -2.562  -3.116
   94    HA3  GLY  13           1HA      GLY  13   6.493  -3.017  -3.650
   95    HA   PRO  14           HA       PRO  14   6.472   1.821  -2.668
   96    HB2  PRO  14           2HB      PRO  14   9.369   2.274  -3.170
   97    HB3  PRO  14           1HB      PRO  14   8.292   3.048  -1.996
   98    HG2  PRO  14           2HG      PRO  14  10.086   1.239  -1.215
   99    HG3  PRO  14           1HG      PRO  14   8.472   1.301  -0.483
  100    HD2  PRO  14           2HD      PRO  14   9.565  -0.602  -2.513
  101    HD3  PRO  14           1HD      PRO  14   8.461  -0.911  -1.156
  102    H    ALA  15           H        ALA  15   9.259   1.088  -4.773
  103    HA   ALA  15           HA       ALA  15   7.902   2.461  -6.972
  104    HB1  ALA  15           3HB      ALA  15   9.942   2.961  -7.825
  105    HB2  ALA  15           1HB      ALA  15  10.655   1.430  -7.315
  106    HB3  ALA  15           2HB      ALA  15  10.425   2.730  -6.144
  107    H    ALA  16           H        ALA  16   6.405   0.540  -7.032
  108    HA   ALA  16           HA       ALA  16   6.987  -1.055  -9.272
  109    HB1  ALA  16           3HB      ALA  16   8.382  -2.108  -7.330
  110    HB2  ALA  16           1HB      ALA  16   7.495  -3.144  -8.450
  111    HB3  ALA  16           2HB      ALA  16   6.828  -2.796  -6.855
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1  -3.839  -1.207   6.011
    2    H2   GLY   1           2HT      GLY   1  -5.482  -1.361   5.640
    3    H3   GLY   1           3HT      GLY   1  -4.760   0.169   5.658
    4    HA2  GLY   1           1HA      GLY   1  -3.913  -0.030   3.610
    5    HA3  GLY   1           2HA      GLY   1  -3.490  -1.715   3.876
    6    H    ALA   2           H        ALA   2  -6.493   0.210   3.713
    7    HA   ALA   2           HA       ALA   2  -7.441  -1.482   1.542
    8    HB1  ALA   2           3HB      ALA   2  -9.358  -2.286   2.589
    9    HB2  ALA   2           1HB      ALA   2  -9.240  -1.123   3.911
   10    HB3  ALA   2           2HB      ALA   2  -8.109  -2.473   3.821
   11    H    ALA   3           H        ALA   3  -6.676   1.327   1.856
   12    HA   ALA   3           HA       ALA   3  -8.987   2.966   1.946
   13    HB1  ALA   3           3HB      ALA   3  -7.548   4.722   1.067
   14    HB2  ALA   3           1HB      ALA   3  -6.314   3.529   0.667
   15    HB3  ALA   3           2HB      ALA   3  -6.732   3.834   2.353
   16    H    ILE   4           H        ILE   4  -7.123   1.562  -0.723
   17    HA   ILE   4           HA       ILE   4  -9.348   2.240  -2.537
   18    HB   ILE   4           HB       ILE   4  -6.420   1.921  -3.222
   19   HG12  ILE   4          2HG1      ILE   4  -6.889   4.021  -2.064
   20   HG13  ILE   4          1HG1      ILE   4  -6.535   4.326  -3.763
   21   HG21  ILE   4          1HG2      ILE   4  -7.497   3.029  -5.412
   22   HG22  ILE   4          2HG2      ILE   4  -8.870   2.064  -4.869
   23   HG23  ILE   4          3HG2      ILE   4  -7.321   1.287  -5.200
   24   HD11  ILE   4          3HD1      ILE   4  -9.311   3.952  -3.560
   25   HD12  ILE   4          1HD1      ILE   4  -8.432   5.437  -3.924
   26   HD13  ILE   4          2HD1      ILE   4  -8.834   5.037  -2.254
   27    H    GLY   5           H        GLY   5  -7.749  -0.260  -0.983
   28    HA2  GLY   5           2HA      GLY   5  -8.316  -2.528  -1.132
   29    HA3  GLY   5           1HA      GLY   5  -9.034  -2.221  -2.709
   30    H    LEU   6           H        LEU   6  -6.393  -0.652  -3.243
   31    HA   LEU   6           HA       LEU   6  -4.693  -3.002  -3.756
   32    HG   LEU   6           HG       LEU   6  -5.894  -3.701  -5.914
   33    HB2  LEU   6           2HB      LEU   6  -5.273  -0.754  -5.688
   34    HB3  LEU   6           1HB      LEU   6  -4.073  -2.006  -5.938
   35   HD11  LEU   6          1HD1      LEU   6  -7.461  -1.359  -5.174
   36   HD12  LEU   6          2HD1      LEU   6  -7.819  -3.076  -4.979
   37   HD13  LEU   6          3HD1      LEU   6  -8.160  -2.273  -6.510
   38   HD21  LEU   6          3HD2      LEU   6  -5.087  -2.985  -8.029
   39   HD22  LEU   6          1HD2      LEU   6  -6.006  -1.481  -7.943
   40   HD23  LEU   6          2HD2      LEU   6  -6.848  -3.020  -8.132
   41    H    ALA   7           H        ALA   7  -4.684  -0.790  -1.728
   42    HA   ALA   7           HA       ALA   7  -2.031   0.331  -2.359
   43    HB1  ALA   7           3HB      ALA   7  -2.542   2.278  -1.169
   44    HB2  ALA   7           1HB      ALA   7  -3.935   1.537  -0.379
   45    HB3  ALA   7           2HB      ALA   7  -4.001   1.933  -2.098
   46    H    TRP   8           H        TRP   8  -1.654  -2.012  -1.480
   47    HA   TRP   8           HA       TRP   8  -1.054  -1.753   1.395
   48    HD1  TRP   8           HD       TRP   8  -3.677  -3.536  -1.465
   49    HE1  TRP   8           1HE      TRP   8  -3.315  -5.447  -3.152
   50    HE3  TRP   8           3HE      TRP   8   0.128  -5.991   0.901
   51    HZ2  TRP   8           2HZ      TRP   8  -1.619  -7.686  -3.450
   52    HZ3  TRP   8           3HZ      TRP   8   1.080  -7.995  -0.160
   53    HH2  TRP   8           HH       TRP   8   0.222  -8.824  -2.291
   54    HB2  TRP   8           2HB      TRP   8  -1.435  -4.203   1.609
   55    HB3  TRP   8           1HB      TRP   8  -2.904  -3.325   1.163
   56    H    ILE   9           H        ILE   9  -0.247  -3.101  -1.726
   57    HA   ILE   9           HA       ILE   9   2.055  -4.507  -1.066
   58    HB   ILE   9           HB       ILE   9   0.983  -4.778  -3.208
   59   HG12  ILE   9          2HG1      ILE   9   3.818  -3.743  -3.394
   60   HG13  ILE   9          1HG1      ILE   9   3.316  -5.401  -3.076
   61   HG21  ILE   9          1HG2      ILE   9   0.976  -3.141  -4.923
   62   HG22  ILE   9          2HG2      ILE   9   2.020  -2.066  -3.992
   63   HG23  ILE   9          3HG2      ILE   9   0.365  -2.364  -3.463
   64   HD11  ILE   9          3HD1      ILE   9   3.868  -4.212  -5.555
   65   HD12  ILE   9          1HD1      ILE   9   2.130  -4.510  -5.513
   66   HD13  ILE   9          2HD1      ILE   9   3.260  -5.838  -5.238
   67    HA   PRO  10           HA       PRO  10   4.295  -0.128  -2.269
   68    HB2  PRO  10           2HB      PRO  10   3.130   1.510  -0.238
   69    HB3  PRO  10           1HB      PRO  10   3.065   1.750  -1.986
   70    HG2  PRO  10           2HG      PRO  10   1.085   0.479  -0.172
   71    HG3  PRO  10           1HG      PRO  10   0.817   1.386  -1.673
   72    HD2  PRO  10           2HD      PRO  10   0.535  -1.251  -1.630
   73    HD3  PRO  10           1HD      PRO  10   1.327  -0.467  -3.014
   74    H    TYR  11           H        TYR  11   3.037  -1.459   0.712
   75    HA   TYR  11           HA       TYR  11   4.945  -0.659   2.551
   76    HD1  TYR  11           2HD      TYR  11   2.956   0.126   2.453
   77    HD2  TYR  11           1HD      TYR  11   1.828  -3.461   4.448
   78    HE1  TYR  11           2HE      TYR  11   0.917   1.226   3.267
   79    HE2  TYR  11           1HE      TYR  11  -0.216  -2.366   5.267
   80    HH   TYR  11           HH       TYR  11  -0.717   0.604   5.573
   81    HB2  TYR  11           2HB      TYR  11   3.493  -3.302   2.323
   82    HB3  TYR  11           1HB      TYR  11   4.362  -2.763   3.757
   83    H    PHE  12           H        PHE  12   4.974  -3.426   0.338
   84    HA   PHE  12           HA       PHE  12   7.580  -4.297   1.203
   85    HD1  PHE  12           1HD      PHE  12   7.308  -6.438   2.059
   86    HD2  PHE  12           2HD      PHE  12   3.964  -6.233  -0.565
   87    HE1  PHE  12           1HE      PHE  12   6.013  -7.845   3.606
   88    HE2  PHE  12           2HE      PHE  12   2.662  -7.640   0.979
   89    HZ   PHE  12           HZ       PHE  12   3.687  -8.446   3.068
   90    HB2  PHE  12           2HB      PHE  12   5.889  -5.158  -1.153
   91    HB3  PHE  12           1HB      PHE  12   7.376  -5.950  -0.628
   92    H    GLY  13           H        GLY  13   6.680  -1.711  -0.611
   93    HA2  GLY  13           2HA      GLY  13   9.075  -1.899  -2.327
   94    HA3  GLY  13           1HA      GLY  13   7.636  -0.987  -2.751
   95    HA   PRO  14           HA       PRO  14   9.563   1.643   0.779
   96    HB2  PRO  14           2HB      PRO  14  11.841   0.760   1.965
   97    HB3  PRO  14           1HB      PRO  14  10.223   0.333   2.549
   98    HG2  PRO  14           2HG      PRO  14  12.097  -1.251   0.829
   99    HG3  PRO  14           1HG      PRO  14  11.112  -1.789   2.201
  100    HD2  PRO  14           2HD      PRO  14  10.371  -2.209  -0.365
  101    HD3  PRO  14           1HD      PRO  14   9.191  -1.926   0.930
  102    H    ALA  15           H        ALA  15  10.188   3.167  -0.663
  103    HA   ALA  15           HA       ALA  15  12.973   3.064  -1.587
  104    HB1  ALA  15           3HB      ALA  15  11.857   4.416  -3.617
  105    HB2  ALA  15           1HB      ALA  15  10.529   3.332  -3.203
  106    HB3  ALA  15           2HB      ALA  15  12.106   2.670  -3.630
  107    H    ALA  16           H        ALA  16  10.482   5.452  -2.198
  108    HA   ALA  16           HA       ALA  16  12.109   7.429  -0.748
  109    HB1  ALA  16           3HB      ALA  16  10.018   8.231  -2.717
  110    HB2  ALA  16           1HB      ALA  16  11.561   7.607  -3.301
  111    HB3  ALA  16           2HB      ALA  16  11.522   9.042  -2.277
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1  -3.419   5.627   3.820
    2    H2   GLY   1           2HT      GLY   1  -3.967   5.723   5.416
    3    H3   GLY   1           3HT      GLY   1  -4.565   6.795   4.254
    4    HA2  GLY   1           1HA      GLY   1  -4.926   3.870   4.016
    5    HA3  GLY   1           2HA      GLY   1  -6.062   4.874   4.905
    6    H    ALA   2           H        ALA   2  -6.870   3.384   2.729
    7    HA   ALA   2           HA       ALA   2  -8.072   5.391   1.110
    8    HB1  ALA   2           3HB      ALA   2  -6.519   3.605  -0.647
    9    HB2  ALA   2           1HB      ALA   2  -5.594   4.827   0.226
   10    HB3  ALA   2           2HB      ALA   2  -6.922   5.312  -0.828
   11    H    ALA   3           H        ALA   3  -7.194   1.966   1.351
   12    HA   ALA   3           HA       ALA   3  -8.401   0.056   1.094
   13    HB1  ALA   3           3HB      ALA   3 -11.025   0.559   1.328
   14    HB2  ALA   3           1HB      ALA   3 -10.375   2.038   2.036
   15    HB3  ALA   3           2HB      ALA   3  -9.929   0.469   2.708
   16    H    ILE   4           H        ILE   4  -7.576   0.542  -1.225
   17    HA   ILE   4           HA       ILE   4  -9.883   0.733  -3.049
   18    HB   ILE   4           HB       ILE   4  -6.971   1.264  -3.659
   19   HG12  ILE   4          2HG1      ILE   4  -9.307   3.167  -3.364
   20   HG13  ILE   4          1HG1      ILE   4  -7.962   3.001  -2.238
   21   HG21  ILE   4          1HG2      ILE   4  -9.450   1.461  -5.358
   22   HG22  ILE   4          2HG2      ILE   4  -8.046   0.429  -5.618
   23   HG23  ILE   4          3HG2      ILE   4  -7.901   2.177  -5.798
   24   HD11  ILE   4          3HD1      ILE   4  -6.585   3.531  -4.456
   25   HD12  ILE   4          1HD1      ILE   4  -7.212   4.789  -3.389
   26   HD13  ILE   4          2HD1      ILE   4  -8.092   4.356  -4.854
   27    H    GLY   5           H        GLY   5  -7.424  -1.311  -1.846
   28    HA2  GLY   5           2HA      GLY   5  -7.669  -3.693  -2.243
   29    HA3  GLY   5           1HA      GLY   5  -8.106  -3.312  -3.904
   30    H    LEU   6           H        LEU   6  -5.779  -1.202  -3.547
   31    HA   LEU   6           HA       LEU   6  -3.548  -3.077  -3.897
   32    HG   LEU   6           HG       LEU   6  -5.586  -2.753  -6.281
   33    HB2  LEU   6           2HB      LEU   6  -4.206  -0.795  -5.760
   34    HB3  LEU   6           1HB      LEU   6  -2.760  -1.783  -5.840
   35   HD11  LEU   6          1HD1      LEU   6  -4.613  -3.189  -8.600
   36   HD12  LEU   6          2HD1      LEU   6  -3.323  -2.080  -8.132
   37   HD13  LEU   6          3HD1      LEU   6  -4.994  -1.520  -8.177
   38   HD21  LEU   6          3HD2      LEU   6  -3.888  -4.677  -7.230
   39   HD22  LEU   6          1HD2      LEU   6  -4.729  -4.732  -5.681
   40   HD23  LEU   6          2HD2      LEU   6  -3.068  -4.146  -5.763
   41    H    ALA   7           H        ALA   7  -4.553  -0.936  -1.901
   42    HA   ALA   7           HA       ALA   7  -2.192   0.808  -1.896
   43    HB1  ALA   7           3HB      ALA   7  -4.758   1.493  -1.560
   44    HB2  ALA   7           1HB      ALA   7  -3.420   2.377  -0.829
   45    HB3  ALA   7           2HB      ALA   7  -4.315   1.190   0.119
   46    H    TRP   8           H        TRP   8  -1.912  -1.939  -1.212
   47    HA   TRP   8           HA       TRP   8  -1.143  -1.690   1.628
   48    HD1  TRP   8           HD       TRP   8  -3.907  -3.459  -1.138
   49    HE1  TRP   8           1HE      TRP   8  -3.605  -5.374  -2.832
   50    HE3  TRP   8           3HE      TRP   8  -0.020  -5.909   1.096
   51    HZ2  TRP   8           2HZ      TRP   8  -1.920  -7.615  -3.186
   52    HZ3  TRP   8           3HZ      TRP   8   0.896  -7.914   0.008
   53    HH2  TRP   8           HH       TRP   8  -0.039  -8.749  -2.090
   54    HB2  TRP   8           2HB      TRP   8  -1.567  -4.124   1.859
   55    HB3  TRP   8           1HB      TRP   8  -3.037  -3.229   1.453
   56    H    ILE   9           H        ILE   9  -0.492  -2.989  -1.544
   57    HA   ILE   9           HA       ILE   9   1.815  -4.448  -0.975
   58    HB   ILE   9           HB       ILE   9   0.613  -4.711  -3.058
   59   HG12  ILE   9          2HG1      ILE   9   3.477  -3.795  -3.356
   60   HG13  ILE   9          1HG1      ILE   9   2.912  -5.430  -3.033
   61   HG21  ILE   9          1HG2      ILE   9   0.060  -2.291  -3.328
   62   HG22  ILE   9          2HG2      ILE   9   0.612  -3.088  -4.799
   63   HG23  ILE   9          3HG2      ILE   9   1.708  -2.038  -3.901
   64   HD11  ILE   9          3HD1      ILE   9   3.401  -4.214  -5.528
   65   HD12  ILE   9          1HD1      ILE   9   1.667  -4.512  -5.411
   66   HD13  ILE   9          2HD1      ILE   9   2.808  -5.842  -5.196
   67    HA   PRO  10           HA       PRO  10   4.029  -0.109  -2.343
   68    HB2  PRO  10           2HB      PRO  10   3.013   1.559  -0.258
   69    HB3  PRO  10           1HB      PRO  10   2.855   1.790  -2.000
   70    HG2  PRO  10           2HG      PRO  10   0.950   0.592  -0.070
   71    HG3  PRO  10           1HG      PRO  10   0.626   1.462  -1.582
   72    HD2  PRO  10           2HD      PRO  10   0.305  -1.173  -1.431
   73    HD3  PRO  10           1HD      PRO  10   0.997  -0.434  -2.890
   74    H    TYR  11           H        TYR  11   3.000  -1.491   0.687
   75    HA   TYR  11           HA       TYR  11   5.081  -0.639   2.354
   76    HD1  TYR  11           1HD      TYR  11   1.788  -0.906   1.858
   77    HD2  TYR  11           2HD      TYR  11   3.663  -1.864   5.556
   78    HE1  TYR  11           1HE      TYR  11   0.126   0.455   3.046
   79    HE2  TYR  11           2HE      TYR  11   2.001  -0.506   6.754
   80    HH   TYR  11           HH       TYR  11   0.071   1.725   5.322
   81    HB2  TYR  11           2HB      TYR  11   3.354  -3.112   2.371
   82    HB3  TYR  11           1HB      TYR  11   4.527  -2.770   3.638
   83    H    PHE  12           H        PHE  12   4.820  -3.339   0.107
   84    HA   PHE  12           HA       PHE  12   7.336  -4.496   0.859
   85    HD1  PHE  12           1HD      PHE  12   3.829  -4.793   0.459
   86    HD2  PHE  12           2HD      PHE  12   6.686  -7.902  -0.065
   87    HE1  PHE  12           1HE      PHE  12   2.461  -6.279   1.858
   88    HE2  PHE  12           2HE      PHE  12   5.320  -9.397   1.330
   89    HZ   PHE  12           HZ       PHE  12   3.203  -8.585   2.294
   90    HB2  PHE  12           2HB      PHE  12   5.581  -4.976  -1.561
   91    HB3  PHE  12           1HB      PHE  12   7.013  -5.923  -1.154
   92    H    GLY  13           H        GLY  13   6.256  -2.105  -1.424
   93    HA2  GLY  13           2HA      GLY  13   8.988  -1.979  -2.544
   94    HA3  GLY  13           1HA      GLY  13   7.544  -1.486  -3.413
   95    HA   PRO  14           HA       PRO  14   8.658   1.891  -0.080
   96    HB2  PRO  14           2HB      PRO  14  11.321   2.092   0.413
   97    HB3  PRO  14           1HB      PRO  14  10.231   1.099   1.394
   98    HG2  PRO  14           2HG      PRO  14  12.074   0.275  -0.820
   99    HG3  PRO  14           1HG      PRO  14  11.782  -0.509   0.744
  100    HD2  PRO  14           2HD      PRO  14  10.644  -1.379  -1.552
  101    HD3  PRO  14           1HD      PRO  14   9.834  -1.510   0.023
  102    H    ALA  15           H        ALA  15   9.910   3.983  -0.356
  103    HA   ALA  15           HA       ALA  15  10.516   4.362  -3.214
  104    HB1  ALA  15           3HB      ALA  15  10.029   6.837  -2.554
  105    HB2  ALA  15           1HB      ALA  15   9.202   6.106  -1.179
  106    HB3  ALA  15           2HB      ALA  15   8.694   5.716  -2.822
  107    H    ALA  16           H        ALA  16  12.410   5.263  -3.837
  108    HA   ALA  16           HA       ALA  16  14.224   6.244  -1.736
  109    HB1  ALA  16           3HB      ALA  16  14.649   4.052  -3.671
  110    HB2  ALA  16           1HB      ALA  16  15.308   4.283  -2.050
  111    HB3  ALA  16           2HB      ALA  16  16.003   5.154  -3.419
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1  -7.432   5.089 -10.638
    2    H2   GLY   1           2HT      GLY   1  -8.092   5.367  -9.105
    3    H3   GLY   1           3HT      GLY   1  -7.071   4.043  -9.358
    4    HA2  GLY   1           1HA      GLY   1  -5.174   5.372  -9.589
    5    HA3  GLY   1           2HA      GLY   1  -6.150   6.820  -9.774
    6    H    ALA   2           H        ALA   2  -4.190   5.228  -7.698
    7    HA   ALA   2           HA       ALA   2  -3.717   5.412  -5.479
    8    HB1  ALA   2           3HB      ALA   2  -4.269   7.905  -6.295
    9    HB2  ALA   2           1HB      ALA   2  -3.823   7.508  -4.633
   10    HB3  ALA   2           2HB      ALA   2  -5.520   7.715  -5.066
   11    H    ALA   3           H        ALA   3  -6.141   3.928  -6.399
   12    HA   ALA   3           HA       ALA   3  -7.099   3.106  -3.896
   13    HB1  ALA   3           3HB      ALA   3  -9.448   4.288  -5.168
   14    HB2  ALA   3           1HB      ALA   3  -8.274   5.478  -4.602
   15    HB3  ALA   3           2HB      ALA   3  -8.946   4.298  -3.476
   16    H    ILE   4           H        ILE   4  -6.145   1.928  -6.296
   17    HA   ILE   4           HA       ILE   4  -8.387   0.763  -7.666
   18    HB   ILE   4           HB       ILE   4  -6.649  -0.474  -8.897
   19   HG12  ILE   4          2HG1      ILE   4  -4.729   1.092  -7.175
   20   HG13  ILE   4          1HG1      ILE   4  -4.981  -0.648  -7.109
   21   HG21  ILE   4          1HG2      ILE   4  -6.245   1.267 -10.284
   22   HG22  ILE   4          2HG2      ILE   4  -5.686   2.311  -8.977
   23   HG23  ILE   4          3HG2      ILE   4  -7.413   2.055  -9.223
   24   HD11  ILE   4          3HD1      ILE   4  -3.232   0.858  -8.776
   25   HD12  ILE   4          1HD1      ILE   4  -4.381  -0.023  -9.781
   26   HD13  ILE   4          2HD1      ILE   4  -3.384  -0.892  -8.614
   27    H    GLY   5           H        GLY   5  -7.279   0.202  -4.686
   28    HA2  GLY   5           2HA      GLY   5  -8.122  -1.656  -3.429
   29    HA3  GLY   5           1HA      GLY   5  -7.943  -2.658  -4.859
   30    H    LEU   6           H        LEU   6  -5.195  -1.119  -5.076
   31    HA   LEU   6           HA       LEU   6  -3.781  -3.037  -3.357
   32    HG   LEU   6           HG       LEU   6  -3.279  -4.575  -5.344
   33    HB2  LEU   6           2HB      LEU   6  -2.893  -1.626  -5.871
   34    HB3  LEU   6           1HB      LEU   6  -1.845  -2.628  -4.887
   35   HD11  LEU   6          1HD1      LEU   6  -4.824  -4.040  -7.464
   36   HD12  LEU   6          2HD1      LEU   6  -4.958  -2.505  -6.606
   37   HD13  LEU   6          3HD1      LEU   6  -5.414  -4.007  -5.802
   38   HD21  LEU   6          3HD2      LEU   6  -2.825  -4.616  -7.875
   39   HD22  LEU   6          1HD2      LEU   6  -1.453  -4.446  -6.780
   40   HD23  LEU   6          2HD2      LEU   6  -2.091  -3.032  -7.620
   41    H    ALA   7           H        ALA   7  -4.464  -1.208  -1.755
   42    HA   ALA   7           HA       ALA   7  -2.430   0.911  -1.708
   43    HB1  ALA   7           3HB      ALA   7  -4.914   0.655  -0.025
   44    HB2  ALA   7           1HB      ALA   7  -4.799   1.586  -1.519
   45    HB3  ALA   7           2HB      ALA   7  -3.835   2.047  -0.115
   46    H    TRP   8           H        TRP   8  -1.983  -1.931  -1.008
   47    HA   TRP   8           HA       TRP   8  -1.005  -1.523   1.745
   48    HD1  TRP   8           HD       TRP   8  -4.016  -3.390  -0.638
   49    HE1  TRP   8           1HE      TRP   8  -3.909  -5.385  -2.259
   50    HE3  TRP   8           3HE      TRP   8   0.036  -5.806   1.323
   51    HZ2  TRP   8           2HZ      TRP   8  -2.298  -7.672  -2.668
   52    HZ3  TRP   8           3HZ      TRP   8   0.812  -7.876   0.250
   53    HH2  TRP   8           HH       TRP   8  -0.334  -8.789  -1.705
   54    HB2  TRP   8           2HB      TRP   8  -1.400  -3.950   2.143
   55    HB3  TRP   8           1HB      TRP   8  -2.898  -3.060   1.844
   56    H    ILE   9           H        ILE   9  -0.656  -3.120  -1.354
   57    HA   ILE   9           HA       ILE   9   1.663  -4.554  -0.948
   58    HB   ILE   9           HB       ILE   9   0.367  -4.834  -2.950
   59   HG12  ILE   9          2HG1      ILE   9   3.175  -3.859  -3.498
   60   HG13  ILE   9          1HG1      ILE   9   2.689  -5.500  -3.084
   61   HG21  ILE   9          1HG2      ILE   9   1.356  -2.172  -3.930
   62   HG22  ILE   9          2HG2      ILE   9  -0.218  -2.397  -3.164
   63   HG23  ILE   9          3HG2      ILE   9   0.158  -3.232  -4.671
   64   HD11  ILE   9          3HD1      ILE   9   1.242  -4.620  -5.386
   65   HD12  ILE   9          1HD1      ILE   9   2.346  -5.984  -5.208
   66   HD13  ILE   9          2HD1      ILE   9   2.974  -4.392  -5.633
   67    HA   PRO  10           HA       PRO  10   3.963  -0.318  -2.466
   68    HB2  PRO  10           2HB      PRO  10   3.062   1.461  -0.438
   69    HB3  PRO  10           1HB      PRO  10   2.809   1.609  -2.178
   70    HG2  PRO  10           2HG      PRO  10   1.016   0.477  -0.089
   71    HG3  PRO  10           1HG      PRO  10   0.598   1.365  -1.569
   72    HD2  PRO  10           2HD      PRO  10   0.222  -1.246  -1.451
   73    HD3  PRO  10           1HD      PRO  10   0.910  -0.527  -2.922
   74    H    TYR  11           H        TYR  11   2.898  -1.484   0.657
   75    HA   TYR  11           HA       TYR  11   4.896  -0.689   2.358
   76    HD1  TYR  11           2HD      TYR  11   2.872   0.012   2.372
   77    HD2  TYR  11           1HD      TYR  11   2.016  -3.617   4.426
   78    HE1  TYR  11           2HE      TYR  11   0.839   1.027   3.308
   79    HE2  TYR  11           1HE      TYR  11  -0.019  -2.608   5.368
   80    HH   TYR  11           HH       TYR  11  -1.359   0.247   4.216
   81    HB2  TYR  11           2HB      TYR  11   3.542  -3.389   2.200
   82    HB3  TYR  11           1HB      TYR  11   4.471  -2.818   3.583
   83    H    PHE  12           H        PHE  12   4.909  -3.455   0.140
   84    HA   PHE  12           HA       PHE  12   7.568  -4.261   0.846
   85    HD1  PHE  12           1HD      PHE  12   7.381  -6.451   1.573
   86    HD2  PHE  12           2HD      PHE  12   3.970  -6.209  -0.959
   87    HE1  PHE  12           1HE      PHE  12   6.175  -7.999   3.057
   88    HE2  PHE  12           2HE      PHE  12   2.757  -7.754   0.520
   89    HZ   PHE  12           HZ       PHE  12   3.859  -8.652   2.533
   90    HB2  PHE  12           2HB      PHE  12   5.839  -5.025  -1.518
   91    HB3  PHE  12           1HB      PHE  12   7.364  -5.802  -1.085
   92    H    GLY  13           H        GLY  13   6.158  -2.104  -1.495
   93    HA2  GLY  13           2HA      GLY  13   8.380  -1.966  -3.261
   94    HA3  GLY  13           1HA      GLY  13   7.081  -0.792  -3.142
   95    HA   PRO  14           HA       PRO  14  10.335   1.941  -1.758
   96    HB2  PRO  14           2HB      PRO  14   8.665   3.931  -0.825
   97    HB3  PRO  14           1HB      PRO  14   9.176   3.751  -2.509
   98    HG2  PRO  14           2HG      PRO  14   6.625   2.913  -1.200
   99    HG3  PRO  14           1HG      PRO  14   6.887   3.616  -2.807
  100    HD2  PRO  14           2HD      PRO  14   6.431   0.987  -2.462
  101    HD3  PRO  14           1HD      PRO  14   7.518   1.592  -3.729
  102    H    ALA  15           H        ALA  15   7.468   2.124   0.363
  103    HA   ALA  15           HA       ALA  15   7.231   1.973   2.619
  104    HB1  ALA  15           3HB      ALA  15   9.304   0.392   3.535
  105    HB2  ALA  15           1HB      ALA  15   9.067  -0.145   1.873
  106    HB3  ALA  15           2HB      ALA  15   7.717  -0.166   3.007
  107    H    ALA  16           H        ALA  16   7.888   4.272   2.596
  108    HA   ALA  16           HA       ALA  16  10.570   4.772   3.661
  109    HB1  ALA  16           3HB      ALA  16   9.248   6.107   1.754
  110    HB2  ALA  16           1HB      ALA  16  10.446   6.863   2.802
  111    HB3  ALA  16           2HB      ALA  16   8.728   7.030   3.163
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1  -7.354 -10.240  -1.725
    2    H2   GLY   1           2HT      GLY   1  -8.274 -11.267  -0.747
    3    H3   GLY   1           3HT      GLY   1  -7.659  -9.824  -0.114
    4    HA2  GLY   1           1HA      GLY   1 -10.028 -10.289  -1.703
    5    HA3  GLY   1           2HA      GLY   1  -9.694  -9.022  -0.532
    6    H    ALA   2           H        ALA   2 -11.017  -8.325  -2.768
    7    HA   ALA   2           HA       ALA   2  -8.985  -6.835  -4.292
    8    HB1  ALA   2           3HB      ALA   2 -10.055  -8.740  -5.570
    9    HB2  ALA   2           1HB      ALA   2 -10.155  -7.147  -6.320
   10    HB3  ALA   2           2HB      ALA   2 -11.558  -7.822  -5.495
   11    H    ALA   3           H        ALA   3 -10.408  -5.977  -1.952
   12    HA   ALA   3           HA       ALA   3 -11.712  -3.620  -3.086
   13    HB1  ALA   3           3HB      ALA   3 -13.380  -3.959  -1.037
   14    HB2  ALA   3           1HB      ALA   3 -13.023  -5.653  -1.378
   15    HB3  ALA   3           2HB      ALA   3 -13.699  -4.623  -2.640
   16    H    ILE   4           H        ILE   4  -9.133  -3.997  -1.898
   17    HA   ILE   4           HA       ILE   4  -9.409  -2.642   0.692
   18    HB   ILE   4           HB       ILE   4  -8.026  -4.654   0.729
   19   HG12  ILE   4          2HG1      ILE   4  -6.407  -2.114   1.021
   20   HG13  ILE   4          1HG1      ILE   4  -7.456  -2.815   2.249
   21   HG21  ILE   4          1HG2      ILE   4  -7.163  -3.791  -1.771
   22   HG22  ILE   4          2HG2      ILE   4  -6.581  -5.192  -0.871
   23   HG23  ILE   4          3HG2      ILE   4  -5.748  -3.643  -0.730
   24   HD11  ILE   4          3HD1      ILE   4  -5.933  -4.893   1.999
   25   HD12  ILE   4          1HD1      ILE   4  -5.366  -3.501   2.922
   26   HD13  ILE   4          2HD1      ILE   4  -4.802  -3.752   1.270
   27    H    GLY   5           H        GLY   5  -8.479  -2.143  -2.572
   28    HA2  GLY   5           2HA      GLY   5  -8.327   0.114  -3.398
   29    HA3  GLY   5           1HA      GLY   5  -7.600   0.577  -1.867
   30    H    LEU   6           H        LEU   6  -6.407  -2.372  -3.046
   31    HA   LEU   6           HA       LEU   6  -4.298  -2.976  -3.670
   32    HG   LEU   6           HG       LEU   6  -5.222  -3.748  -5.935
   33    HB2  LEU   6           2HB      LEU   6  -4.848  -0.767  -5.645
   34    HB3  LEU   6           1HB      LEU   6  -3.545  -1.931  -5.799
   35   HD11  LEU   6          1HD1      LEU   6  -7.108  -3.013  -4.805
   36   HD12  LEU   6          2HD1      LEU   6  -7.593  -2.907  -6.498
   37   HD13  LEU   6          3HD1      LEU   6  -7.113  -1.452  -5.625
   38   HD21  LEU   6          3HD2      LEU   6  -4.392  -2.943  -7.999
   39   HD22  LEU   6          1HD2      LEU   6  -5.390  -1.491  -7.915
   40   HD23  LEU   6          2HD2      LEU   6  -6.143  -3.064  -8.181
   41    H    ALA   7           H        ALA   7  -4.451  -0.921  -1.586
   42    HA   ALA   7           HA       ALA   7  -1.919   0.502  -2.082
   43    HB1  ALA   7           3HB      ALA   7  -4.099   1.182  -0.114
   44    HB2  ALA   7           1HB      ALA   7  -3.824   1.978  -1.664
   45    HB3  ALA   7           2HB      ALA   7  -2.616   2.098  -0.383
   46    H    TRP   8           H        TRP   8  -1.898  -2.201  -1.337
   47    HA   TRP   8           HA       TRP   8  -0.992  -2.090   1.465
   48    HD1  TRP   8           HD       TRP   8  -3.495  -3.679  -1.582
   49    HE1  TRP   8           1HE      TRP   8  -3.118  -5.508  -3.356
   50    HE3  TRP   8           3HE      TRP   8   0.168  -6.346   0.774
   51    HZ2  TRP   8           2HZ      TRP   8  -1.466  -7.771  -3.715
   52    HZ3  TRP   8           3HZ      TRP   8   1.109  -8.317  -0.356
   53    HH2  TRP   8           HH       TRP   8   0.306  -9.016  -2.555
   54    HB2  TRP   8           2HB      TRP   8  -1.309  -4.541   1.501
   55    HB3  TRP   8           1HB      TRP   8  -2.812  -3.691   1.120
   56    H    ILE   9           H        ILE   9  -0.203  -3.105  -1.799
   57    HA   ILE   9           HA       ILE   9   2.198  -4.423  -1.180
   58    HB   ILE   9           HB       ILE   9   1.161  -4.853  -3.280
   59   HG12  ILE   9          2HG1      ILE   9   3.692  -4.873  -2.996
   60   HG13  ILE   9          1HG1      ILE   9   3.080  -4.904  -4.649
   61   HG21  ILE   9          1HG2      ILE   9   1.732  -2.003  -4.071
   62   HG22  ILE   9          2HG2      ILE   9   0.151  -2.636  -3.624
   63   HG23  ILE   9          3HG2      ILE   9   0.969  -3.243  -5.061
   64   HD11  ILE   9          3HD1      ILE   9   4.936  -3.134  -3.470
   65   HD12  ILE   9          1HD1      ILE   9   3.502  -2.195  -3.874
   66   HD13  ILE   9          2HD1      ILE   9   4.320  -3.132  -5.121
   67    HA   PRO  10           HA       PRO  10   4.107   0.075  -2.424
   68    HB2  PRO  10           2HB      PRO  10   2.862   1.646  -0.390
   69    HB3  PRO  10           1HB      PRO  10   2.751   1.866  -2.137
   70    HG2  PRO  10           2HG      PRO  10   0.887   0.494  -0.282
   71    HG3  PRO  10           1HG      PRO  10   0.543   1.348  -1.794
   72    HD2  PRO  10           2HD      PRO  10   0.445  -1.304  -1.682
   73    HD3  PRO  10           1HD      PRO  10   1.131  -0.499  -3.107
   74    H    TYR  11           H        TYR  11   2.960  -1.294   0.577
   75    HA   TYR  11           HA       TYR  11   5.003  -0.373   2.279
   76    HD1  TYR  11           1HD      TYR  11   4.044   0.367   4.188
   77    HD2  TYR  11           2HD      TYR  11   1.004  -2.236   2.756
   78    HE1  TYR  11           1HE      TYR  11   2.331   1.887   5.083
   79    HE2  TYR  11           2HE      TYR  11  -0.719  -0.726   3.642
   80    HH   TYR  11           HH       TYR  11  -0.796   1.055   5.563
   81    HB2  TYR  11           2HB      TYR  11   3.215  -2.803   2.383
   82    HB3  TYR  11           1HB      TYR  11   4.296  -2.334   3.697
   83    H    PHE  12           H        PHE  12   4.591  -3.486   0.591
   84    HA   PHE  12           HA       PHE  12   7.109  -4.521   1.350
   85    HD1  PHE  12           1HD      PHE  12   6.607  -6.599   2.236
   86    HD2  PHE  12           2HD      PHE  12   3.307  -6.075  -0.398
   87    HE1  PHE  12           1HE      PHE  12   5.164  -7.823   3.809
   88    HE2  PHE  12           2HE      PHE  12   1.857  -7.298   1.171
   89    HZ   PHE  12           HZ       PHE  12   2.785  -8.173   3.278
   90    HB2  PHE  12           2HB      PHE  12   5.342  -5.233  -1.002
   91    HB3  PHE  12           1HB      PHE  12   6.730  -6.178  -0.459
   92    H    GLY  13           H        GLY  13   6.251  -2.107  -0.896
   93    HA2  GLY  13           2HA      GLY  13   7.986  -0.748  -1.853
   94    HA3  GLY  13           1HA      GLY  13   8.991  -2.182  -1.972
   95    HA   PRO  14           HA       PRO  14   5.600  -1.710  -5.610
   96    HB2  PRO  14           2HB      PRO  14   6.902   0.867  -6.354
   97    HB3  PRO  14           1HB      PRO  14   5.211   0.367  -6.522
   98    HG2  PRO  14           2HG      PRO  14   5.938   2.060  -4.602
   99    HG3  PRO  14           1HG      PRO  14   4.726   0.802  -4.295
  100    HD2  PRO  14           2HD      PRO  14   7.591   0.918  -3.466
  101    HD3  PRO  14           1HD      PRO  14   6.190   0.262  -2.597
  102    H    ALA  15           H        ALA  15   6.174  -2.282  -7.731
  103    HA   ALA  15           HA       ALA  15   9.057  -2.706  -8.117
  104    HB1  ALA  15           3HB      ALA  15   7.153  -4.122  -9.865
  105    HB2  ALA  15           1HB      ALA  15   7.105  -4.559  -8.156
  106    HB3  ALA  15           2HB      ALA  15   8.611  -4.705  -9.063
  107    H    ALA  16           H        ALA  16   9.430  -3.036 -10.677
  108    HA   ALA  16           HA       ALA  16   8.449  -0.554 -11.932
  109    HB1  ALA  16           3HB      ALA  16  10.521  -0.068 -12.684
  110    HB2  ALA  16           1HB      ALA  16  10.939  -1.760 -12.954
  111    HB3  ALA  16           2HB      ALA  16  11.017  -1.081 -11.328
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1  -7.224  -3.151   2.077
    2    H2   GLY   1           2HT      GLY   1  -6.706  -3.941   0.672
    3    H3   GLY   1           3HT      GLY   1  -8.186  -3.121   0.686
    4    HA2  GLY   1           1HA      GLY   1  -5.456  -1.991   0.701
    5    HA3  GLY   1           2HA      GLY   1  -6.749  -1.692  -0.450
    6    H    ALA   2           H        ALA   2  -8.729  -1.477   1.771
    7    HA   ALA   2           HA       ALA   2  -9.693   0.155   3.029
    8    HB1  ALA   2           3HB      ALA   2  -7.829   1.698   4.185
    9    HB2  ALA   2           1HB      ALA   2  -6.834   0.310   3.746
   10    HB3  ALA   2           2HB      ALA   2  -8.253   0.090   4.770
   11    H    ALA   3           H        ALA   3  -9.068   0.636   0.206
   12    HA   ALA   3           HA       ALA   3  -9.867   3.324   0.023
   13    HB1  ALA   3           3HB      ALA   3  -7.768   4.134   0.542
   14    HB2  ALA   3           1HB      ALA   3  -7.703   4.066  -1.219
   15    HB3  ALA   3           2HB      ALA   3  -6.938   2.799  -0.259
   16    H    ILE   4           H        ILE   4  -7.563   1.479  -1.970
   17    HA   ILE   4           HA       ILE   4  -9.596   1.428  -4.102
   18    HB   ILE   4           HB       ILE   4  -7.718   2.841  -4.715
   19   HG12  ILE   4          2HG1      ILE   4  -7.626   0.193  -6.178
   20   HG13  ILE   4          1HG1      ILE   4  -8.780   1.490  -6.480
   21   HG21  ILE   4          1HG2      ILE   4  -6.197   0.947  -3.311
   22   HG22  ILE   4          2HG2      ILE   4  -5.626   2.409  -4.116
   23   HG23  ILE   4          3HG2      ILE   4  -5.646   0.875  -4.985
   24   HD11  ILE   4          3HD1      ILE   4  -6.640   1.179  -7.963
   25   HD12  ILE   4          1HD1      ILE   4  -5.881   2.102  -6.667
   26   HD13  ILE   4          2HD1      ILE   4  -7.244   2.785  -7.555
   27    H    GLY   5           H        GLY   5  -7.666  -0.454  -2.025
   28    HA2  GLY   5           2HA      GLY   5  -8.038  -2.792  -1.775
   29    HA3  GLY   5           1HA      GLY   5  -8.483  -2.872  -3.472
   30    H    LEU   6           H        LEU   6  -5.929  -0.995  -3.696
   31    HA   LEU   6           HA       LEU   6  -3.977  -3.199  -3.659
   32    HG   LEU   6           HG       LEU   6  -4.621  -4.073  -5.993
   33    HB2  LEU   6           2HB      LEU   6  -4.288  -1.078  -5.785
   34    HB3  LEU   6           1HB      LEU   6  -2.975  -2.237  -5.708
   35   HD11  LEU   6          1HD1      LEU   6  -6.829  -2.910  -7.089
   36   HD12  LEU   6          2HD1      LEU   6  -6.490  -1.841  -5.728
   37   HD13  LEU   6          3HD1      LEU   6  -6.731  -3.568  -5.456
   38   HD21  LEU   6          3HD2      LEU   6  -3.462  -2.551  -7.874
   39   HD22  LEU   6          1HD2      LEU   6  -5.158  -2.311  -8.295
   40   HD23  LEU   6          2HD2      LEU   6  -4.485  -3.941  -8.242
   41    H    ALA   7           H        ALA   7  -4.664  -0.686  -1.967
   42    HA   ALA   7           HA       ALA   7  -2.108   0.722  -2.123
   43    HB1  ALA   7           3HB      ALA   7  -3.294   2.050  -0.196
   44    HB2  ALA   7           1HB      ALA   7  -4.741   1.289  -0.857
   45    HB3  ALA   7           2HB      ALA   7  -3.736   2.312  -1.883
   46    H    TRP   8           H        TRP   8  -1.908  -1.922  -1.300
   47    HA   TRP   8           HA       TRP   8  -1.146  -1.607   1.537
   48    HD1  TRP   8           HD       TRP   8  -3.936  -3.450  -1.188
   49    HE1  TRP   8           1HE      TRP   8  -3.614  -5.390  -2.849
   50    HE3  TRP   8           3HE      TRP   8   0.004  -5.797   1.065
   51    HZ2  TRP   8           2HZ      TRP   8  -1.894  -7.608  -3.175
   52    HZ3  TRP   8           3HZ      TRP   8   0.947  -7.805   0.005
   53    HH2  TRP   8           HH       TRP   8   0.014  -8.692  -2.071
   54    HB2  TRP   8           2HB      TRP   8  -1.593  -4.032   1.818
   55    HB3  TRP   8           1HB      TRP   8  -3.052  -3.137   1.376
   56    H    ILE   9           H        ILE   9  -0.488  -2.994  -1.596
   57    HA   ILE   9           HA       ILE   9   1.779  -4.483  -1.017
   58    HB   ILE   9           HB       ILE   9   0.627  -4.689  -3.127
   59   HG12  ILE   9          2HG1      ILE   9   3.500  -3.783  -3.395
   60   HG13  ILE   9          1HG1      ILE   9   2.933  -5.418  -3.067
   61   HG21  ILE   9          1HG2      ILE   9   0.109  -2.252  -3.352
   62   HG22  ILE   9          2HG2      ILE   9   0.656  -3.037  -4.833
   63   HG23  ILE   9          3HG2      ILE   9   1.763  -2.017  -3.915
   64   HD11  ILE   9          3HD1      ILE   9   2.792  -5.842  -5.227
   65   HD12  ILE   9          1HD1      ILE   9   3.457  -4.242  -5.558
   66   HD13  ILE   9          2HD1      ILE   9   1.709  -4.468  -5.459
   67    HA   PRO  10           HA       PRO  10   4.132  -0.170  -2.262
   68    HB2  PRO  10           2HB      PRO  10   3.096   1.447  -0.133
   69    HB3  PRO  10           1HB      PRO  10   3.017   1.755  -1.867
   70    HG2  PRO  10           2HG      PRO  10   0.996   0.552  -0.069
   71    HG3  PRO  10           1HG      PRO  10   0.766   1.465  -1.572
   72    HD2  PRO  10           2HD      PRO  10   0.368  -1.165  -1.497
   73    HD3  PRO  10           1HD      PRO  10   1.141  -0.411  -2.907
   74    H    TYR  11           H        TYR  11   2.975  -1.510   0.765
   75    HA   TYR  11           HA       TYR  11   4.982  -0.791   2.521
   76    HD1  TYR  11           2HD      TYR  11   2.994   0.013   2.520
   77    HD2  TYR  11           1HD      TYR  11   1.927  -3.591   4.519
   78    HE1  TYR  11           2HE      TYR  11   1.001   1.118   3.439
   79    HE2  TYR  11           1HE      TYR  11  -0.067  -2.492   5.444
   80    HH   TYR  11           HH       TYR  11  -1.507  -0.618   5.007
   81    HB2  TYR  11           2HB      TYR  11   3.496  -3.417   2.324
   82    HB3  TYR  11           1HB      TYR  11   4.434  -2.901   3.722
   83    H    PHE  12           H        PHE  12   4.952  -3.295   0.055
   84    HA   PHE  12           HA       PHE  12   7.518  -4.357   0.849
   85    HD1  PHE  12           1HD      PHE  12   4.030  -4.820   0.384
   86    HD2  PHE  12           2HD      PHE  12   7.036  -7.789  -0.126
   87    HE1  PHE  12           1HE      PHE  12   2.703  -6.388   1.733
   88    HE2  PHE  12           2HE      PHE  12   5.710  -9.365   1.220
   89    HZ   PHE  12           HZ       PHE  12   3.541  -8.666   2.150
   90    HB2  PHE  12           2HB      PHE  12   5.829  -4.899  -1.606
   91    HB3  PHE  12           1HB      PHE  12   7.298  -5.777  -1.171
   92    H    GLY  13           H        GLY  13   6.253  -2.136  -1.554
   93    HA2  GLY  13           2HA      GLY  13   7.465  -0.420  -2.584
   94    HA3  GLY  13           1HA      GLY  13   8.957  -1.192  -2.068
   95    HA   PRO  14           HA       PRO  14   7.487  -3.443  -6.110
   96    HB2  PRO  14           2HB      PRO  14   5.725  -2.069  -7.651
   97    HB3  PRO  14           1HB      PRO  14   5.217  -3.226  -6.410
   98    HG2  PRO  14           2HG      PRO  14   5.358  -0.238  -6.271
   99    HG3  PRO  14           1HG      PRO  14   4.085  -1.326  -5.687
  100    HD2  PRO  14           2HD      PRO  14   5.950  -0.252  -4.044
  101    HD3  PRO  14           1HD      PRO  14   5.245  -1.858  -3.767
  102    H    ALA  15           H        ALA  15   8.299  -3.153  -8.252
  103    HA   ALA  15           HA       ALA  15   9.780  -0.632  -8.590
  104    HB1  ALA  15           3HB      ALA  15  11.553  -1.780  -9.441
  105    HB2  ALA  15           1HB      ALA  15  10.543  -3.054 -10.125
  106    HB3  ALA  15           2HB      ALA  15  10.888  -3.034  -8.396
  107    H    ALA  16           H        ALA  16   9.794   0.416 -10.569
  108    HA   ALA  16           HA       ALA  16   7.655  -0.408 -12.415
  109    HB1  ALA  16           3HB      ALA  16   7.209   1.740 -11.475
  110    HB2  ALA  16           1HB      ALA  16   7.689   1.978 -13.155
  111    HB3  ALA  16           2HB      ALA  16   8.835   2.306 -11.855
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1 -11.120  -5.410  -0.819
    2    H2   GLY   1           2HT      GLY   1 -12.693  -4.819  -1.010
    3    H3   GLY   1           3HT      GLY   1 -11.927  -4.710   0.493
    4    HA2  GLY   1           1HA      GLY   1 -10.182  -3.304  -0.680
    5    HA3  GLY   1           2HA      GLY   1 -11.364  -3.182  -1.973
    6    H    ALA   2           H        ALA   2 -10.174  -1.563   0.562
    7    HA   ALA   2           HA       ALA   2 -12.743  -0.216   1.099
    8    HB1  ALA   2           3HB      ALA   2 -11.776  -1.487   3.044
    9    HB2  ALA   2           1HB      ALA   2 -12.078   0.226   3.334
   10    HB3  ALA   2           2HB      ALA   2 -10.436  -0.341   3.029
   11    H    ALA   3           H        ALA   3  -9.232   0.189   0.812
   12    HA   ALA   3           HA       ALA   3  -9.453   3.070   0.724
   13    HB1  ALA   3           3HB      ALA   3  -7.484   2.453   1.750
   14    HB2  ALA   3           1HB      ALA   3  -6.934   2.790   0.107
   15    HB3  ALA   3           2HB      ALA   3  -7.191   1.124   0.627
   16    H    ILE   4           H        ILE   4  -7.522   1.150  -1.532
   17    HA   ILE   4           HA       ILE   4  -8.997   2.397  -3.754
   18    HB   ILE   4           HB       ILE   4  -6.868   3.554  -3.472
   19   HG12  ILE   4          2HG1      ILE   4  -6.881   1.732  -5.891
   20   HG13  ILE   4          1HG1      ILE   4  -7.753   3.254  -5.748
   21   HG21  ILE   4          1HG2      ILE   4  -5.854   1.236  -2.589
   22   HG22  ILE   4          2HG2      ILE   4  -4.858   2.561  -3.190
   23   HG23  ILE   4          3HG2      ILE   4  -5.255   1.206  -4.248
   24   HD11  ILE   4          3HD1      ILE   4  -5.240   4.066  -5.200
   25   HD12  ILE   4          1HD1      ILE   4  -5.960   4.075  -6.810
   26   HD13  ILE   4          2HD1      ILE   4  -4.923   2.737  -6.317
   27    H    GLY   5           H        GLY   5  -7.657  -0.450  -2.402
   28    HA2  GLY   5           2HA      GLY   5  -8.485  -2.573  -3.217
   29    HA3  GLY   5           1HA      GLY   5  -8.403  -1.919  -4.846
   30    H    LEU   6           H        LEU   6  -5.684  -0.745  -3.688
   31    HA   LEU   6           HA       LEU   6  -4.056  -3.130  -3.622
   32    HG   LEU   6           HG       LEU   6  -1.587  -2.101  -5.305
   33    HB2  LEU   6           2HB      LEU   6  -4.441  -2.775  -6.038
   34    HB3  LEU   6           1HB      LEU   6  -3.777  -1.160  -5.896
   35   HD11  LEU   6          1HD1      LEU   6  -1.230  -4.538  -5.567
   36   HD12  LEU   6          2HD1      LEU   6  -2.978  -4.746  -5.668
   37   HD13  LEU   6          3HD1      LEU   6  -2.250  -4.121  -4.190
   38   HD21  LEU   6          3HD2      LEU   6  -2.653  -1.919  -7.757
   39   HD22  LEU   6          1HD2      LEU   6  -2.272  -3.639  -7.727
   40   HD23  LEU   6          2HD2      LEU   6  -0.998  -2.450  -7.458
   41    H    ALA   7           H        ALA   7  -4.637  -0.820  -1.922
   42    HA   ALA   7           HA       ALA   7  -2.101   0.641  -1.922
   43    HB1  ALA   7           3HB      ALA   7  -3.686   2.234  -1.607
   44    HB2  ALA   7           1HB      ALA   7  -3.414   1.792   0.077
   45    HB3  ALA   7           2HB      ALA   7  -4.796   1.131  -0.796
   46    H    TRP   8           H        TRP   8  -1.832  -2.017  -1.275
   47    HA   TRP   8           HA       TRP   8  -1.214  -1.884   1.609
   48    HD1  TRP   8           HD       TRP   8  -3.755  -3.542  -1.402
   49    HE1  TRP   8           1HE      TRP   8  -3.362  -5.413  -3.126
   50    HE3  TRP   8           3HE      TRP   8  -0.076  -6.121   1.029
   51    HZ2  TRP   8           2HZ      TRP   8  -1.691  -7.671  -3.426
   52    HZ3  TRP   8           3HZ      TRP   8   0.883  -8.110  -0.050
   53    HH2  TRP   8           HH       TRP   8   0.089  -8.870  -2.233
   54    HB2  TRP   8           2HB      TRP   8  -1.618  -4.325   1.724
   55    HB3  TRP   8           1HB      TRP   8  -3.076  -3.434   1.271
   56    H    ILE   9           H        ILE   9  -0.360  -2.984  -1.582
   57    HA   ILE   9           HA       ILE   9   1.976  -4.398  -0.890
   58    HB   ILE   9           HB       ILE   9   0.814  -4.761  -2.992
   59   HG12  ILE   9          2HG1      ILE   9   3.671  -3.802  -3.209
   60   HG13  ILE   9          1HG1      ILE   9   3.114  -5.440  -2.886
   61   HG21  ILE   9          1HG2      ILE   9   1.911  -2.135  -3.956
   62   HG22  ILE   9          2HG2      ILE   9   0.278  -2.305  -3.314
   63   HG23  ILE   9          3HG2      ILE   9   0.756  -3.200  -4.755
   64   HD11  ILE   9          3HD1      ILE   9   1.948  -4.585  -5.321
   65   HD12  ILE   9          1HD1      ILE   9   3.108  -5.886  -5.043
   66   HD13  ILE   9          2HD1      ILE   9   3.680  -4.250  -5.377
   67    HA   PRO  10           HA       PRO  10   3.930   0.072  -2.330
   68    HB2  PRO  10           2HB      PRO  10   2.944   1.593  -0.113
   69    HB3  PRO  10           1HB      PRO  10   2.682   1.894  -1.831
   70    HG2  PRO  10           2HG      PRO  10   0.955   0.480   0.127
   71    HG3  PRO  10           1HG      PRO  10   0.497   1.417  -1.302
   72    HD2  PRO  10           2HD      PRO  10   0.319  -1.218  -1.334
   73    HD3  PRO  10           1HD      PRO  10   0.950  -0.364  -2.758
   74    H    TYR  11           H        TYR  11   3.094  -1.315   0.777
   75    HA   TYR  11           HA       TYR  11   5.342  -0.473   2.233
   76    HD1  TYR  11           1HD      TYR  11   4.607   0.231   4.275
   77    HD2  TYR  11           2HD      TYR  11   1.402  -2.292   3.085
   78    HE1  TYR  11           1HE      TYR  11   3.014   1.755   5.365
   79    HE2  TYR  11           2HE      TYR  11  -0.204  -0.780   4.169
   80    HH   TYR  11           HH       TYR  11   0.490   1.349   6.395
   81    HB2  TYR  11           2HB      TYR  11   3.556  -2.890   2.504
   82    HB3  TYR  11           1HB      TYR  11   4.781  -2.442   3.694
   83    H    PHE  12           H        PHE  12   4.704  -3.465   0.420
   84    HA   PHE  12           HA       PHE  12   7.168  -4.707   0.895
   85    HD1  PHE  12           2HD      PHE  12   5.390  -5.214   1.952
   86    HD2  PHE  12           1HD      PHE  12   4.329  -7.377  -1.560
   87    HE1  PHE  12           2HE      PHE  12   3.830  -6.584   3.270
   88    HE2  PHE  12           1HE      PHE  12   2.769  -8.751  -0.244
   89    HZ   PHE  12           HZ       PHE  12   2.519  -8.355   2.174
   90    HB2  PHE  12           2HB      PHE  12   5.358  -4.922  -1.522
   91    HB3  PHE  12           1HB      PHE  12   6.667  -6.038  -1.133
   92    H    GLY  13           H        GLY  13   6.361  -1.992  -1.056
   93    HA2  GLY  13           2HA      GLY  13   8.203  -2.097  -3.121
   94    HA3  GLY  13           1HA      GLY  13   7.664  -0.613  -2.350
   95    HA   PRO  14           HA       PRO  14  11.672   0.065  -0.662
   96    HB2  PRO  14           2HB      PRO  14  11.209   0.820   1.913
   97    HB3  PRO  14           1HB      PRO  14  10.871   1.862   0.521
   98    HG2  PRO  14           2HG      PRO  14   8.996   0.150   2.109
   99    HG3  PRO  14           1HG      PRO  14   8.764   1.801   1.504
  100    HD2  PRO  14           2HD      PRO  14   7.702  -0.352   0.264
  101    HD3  PRO  14           1HD      PRO  14   8.246   1.082  -0.628
  102    H    ALA  15           H        ALA  15   9.594  -2.152   1.058
  103    HA   ALA  15           HA       ALA  15  11.813  -3.278   2.569
  104    HB1  ALA  15           3HB      ALA  15   9.474  -2.942   3.507
  105    HB2  ALA  15           1HB      ALA  15  10.214  -4.521   3.768
  106    HB3  ALA  15           2HB      ALA  15   8.993  -4.317   2.513
  107    H    ALA  16           H        ALA  16  12.414  -3.574  -0.014
  108    HA   ALA  16           HA       ALA  16  12.353  -6.451  -0.345
  109    HB1  ALA  16           3HB      ALA  16  10.492  -6.245  -1.646
  110    HB2  ALA  16           1HB      ALA  16  11.729  -5.960  -2.870
  111    HB3  ALA  16           2HB      ALA  16  10.881  -4.597  -2.138
  Start of MODEL   11
    1    H1   GLY   1           1HT      GLY   1  -2.368  -2.718   4.057
    2    H2   GLY   1           2HT      GLY   1  -3.860  -3.473   3.805
    3    H3   GLY   1           3HT      GLY   1  -3.221  -3.368   5.367
    4    HA2  GLY   1           1HA      GLY   1  -3.905  -1.271   5.685
    5    HA3  GLY   1           2HA      GLY   1  -3.537  -0.827   4.026
    6    H    ALA   2           H        ALA   2  -5.067  -2.485   2.543
    7    HA   ALA   2           HA       ALA   2  -7.162  -2.743   1.697
    8    HB1  ALA   2           3HB      ALA   2  -7.260  -3.837   4.153
    9    HB2  ALA   2           1HB      ALA   2  -8.627  -3.816   3.037
   10    HB3  ALA   2           2HB      ALA   2  -8.511  -2.604   4.314
   11    H    ALA   3           H        ALA   3  -6.105  -0.072   2.081
   12    HA   ALA   3           HA       ALA   3  -8.196   1.646   2.993
   13    HB1  ALA   3           3HB      ALA   3  -5.732   2.202   2.922
   14    HB2  ALA   3           1HB      ALA   3  -6.822   3.446   2.307
   15    HB3  ALA   3           2HB      ALA   3  -5.924   2.426   1.183
   16    H    ILE   4           H        ILE   4  -6.871   1.026  -0.265
   17    HA   ILE   4           HA       ILE   4  -9.472   1.858  -1.374
   18    HB   ILE   4           HB       ILE   4  -7.659   3.330  -2.070
   19   HG12  ILE   4          2HG1      ILE   4  -7.934   3.142  -4.509
   20   HG13  ILE   4          1HG1      ILE   4  -8.562   1.508  -4.314
   21   HG21  ILE   4          1HG2      ILE   4  -5.611   2.620  -2.554
   22   HG22  ILE   4          2HG2      ILE   4  -6.219   1.514  -3.785
   23   HG23  ILE   4          3HG2      ILE   4  -6.133   0.997  -2.102
   24   HD11  ILE   4          3HD1      ILE   4  -9.985   3.924  -4.318
   25   HD12  ILE   4          1HD1      ILE   4 -10.062   3.295  -2.673
   26   HD13  ILE   4          2HD1      ILE   4 -10.602   2.298  -4.024
   27    H    GLY   5           H        GLY   5  -7.282  -0.737  -1.016
   28    HA2  GLY   5           2HA      GLY   5  -8.270  -2.949  -1.501
   29    HA3  GLY   5           1HA      GLY   5  -8.779  -2.279  -3.044
   30    H    LEU   6           H        LEU   6  -6.047  -0.826  -3.017
   31    HA   LEU   6           HA       LEU   6  -4.273  -3.082  -3.548
   32    HG   LEU   6           HG       LEU   6  -6.618  -2.703  -5.620
   33    HB2  LEU   6           2HB      LEU   6  -4.897  -0.959  -5.601
   34    HB3  LEU   6           1HB      LEU   6  -3.647  -2.178  -5.755
   35   HD11  LEU   6          1HD1      LEU   6  -6.651  -2.867  -7.874
   36   HD12  LEU   6          2HD1      LEU   6  -4.986  -3.438  -7.971
   37   HD13  LEU   6          3HD1      LEU   6  -5.318  -1.722  -7.739
   38   HD21  LEU   6          3HD2      LEU   6  -4.437  -4.400  -5.005
   39   HD22  LEU   6          1HD2      LEU   6  -5.092  -4.919  -6.558
   40   HD23  LEU   6          2HD2      LEU   6  -6.144  -4.818  -5.146
   41    H    ALA   7           H        ALA   7  -4.493  -0.777  -1.634
   42    HA   ALA   7           HA       ALA   7  -1.980   0.613  -2.270
   43    HB1  ALA   7           3HB      ALA   7  -3.385   2.341  -1.854
   44    HB2  ALA   7           1HB      ALA   7  -2.888   2.014  -0.194
   45    HB3  ALA   7           2HB      ALA   7  -4.423   1.388  -0.794
   46    H    TRP   8           H        TRP   8  -2.071  -2.083  -1.261
   47    HA   TRP   8           HA       TRP   8  -0.976  -1.737   1.452
   48    HD1  TRP   8           HD       TRP   8  -3.781  -3.575  -1.224
   49    HE1  TRP   8           1HE      TRP   8  -3.501  -5.506  -2.903
   50    HE3  TRP   8           3HE      TRP   8   0.193  -5.950   0.935
   51    HZ2  TRP   8           2HZ      TRP   8  -1.798  -7.729  -3.275
   52    HZ3  TRP   8           3HZ      TRP   8   1.105  -7.957  -0.153
   53    HH2  TRP   8           HH       TRP   8   0.125  -8.828  -2.216
   54    HB2  TRP   8           2HB      TRP   8  -1.345  -4.173   1.713
   55    HB3  TRP   8           1HB      TRP   8  -2.846  -3.314   1.348
   56    H    ILE   9           H        ILE   9  -0.433  -3.130  -1.722
   57    HA   ILE   9           HA       ILE   9   1.890  -4.537  -1.256
   58    HB   ILE   9           HB       ILE   9   0.782  -4.795  -3.336
   59   HG12  ILE   9          2HG1      ILE   9   3.268  -5.094  -3.245
   60   HG13  ILE   9          1HG1      ILE   9   2.620  -4.813  -4.857
   61   HG21  ILE   9          1HG2      ILE   9   0.398  -3.175  -4.948
   62   HG22  ILE   9          2HG2      ILE   9   1.579  -2.065  -4.262
   63   HG23  ILE   9          3HG2      ILE   9   0.054  -2.353  -3.429
   64   HD11  ILE   9          3HD1      ILE   9   4.618  -3.362  -3.394
   65   HD12  ILE   9          1HD1      ILE   9   3.307  -2.290  -3.876
   66   HD13  ILE   9          2HD1      ILE   9   4.158  -3.240  -5.091
   67    HA   PRO  10           HA       PRO  10   4.234  -0.224  -2.360
   68    HB2  PRO  10           2HB      PRO  10   3.070   1.475  -0.386
   69    HB3  PRO  10           1HB      PRO  10   3.049   1.690  -2.137
   70    HG2  PRO  10           2HG      PRO  10   0.984   0.533  -0.348
   71    HG3  PRO  10           1HG      PRO  10   0.789   1.398  -1.884
   72    HD2  PRO  10           2HD      PRO  10   0.426  -1.239  -1.741
   73    HD3  PRO  10           1HD      PRO  10   1.224  -0.511  -3.150
   74    H    TYR  11           H        TYR  11   2.864  -1.526   0.583
   75    HA   TYR  11           HA       TYR  11   4.700  -0.740   2.492
   76    HD1  TYR  11           2HD      TYR  11   2.715   0.034   2.306
   77    HD2  TYR  11           1HD      TYR  11   1.515  -3.556   4.257
   78    HE1  TYR  11           2HE      TYR  11   0.634   1.125   3.026
   79    HE2  TYR  11           1HE      TYR  11  -0.568  -2.471   4.980
   80    HH   TYR  11           HH       TYR  11  -1.810   0.178   3.685
   81    HB2  TYR  11           2HB      TYR  11   3.275  -3.396   2.212
   82    HB3  TYR  11           1HB      TYR  11   4.078  -2.837   3.678
   83    H    PHE  12           H        PHE  12   4.924  -3.295   0.082
   84    HA   PHE  12           HA       PHE  12   7.311  -4.458   1.108
   85    HD1  PHE  12           1HD      PHE  12   4.023  -4.838   0.181
   86    HD2  PHE  12           2HD      PHE  12   7.088  -7.698  -0.553
   87    HE1  PHE  12           1HE      PHE  12   2.580  -6.608   1.082
   88    HE2  PHE  12           2HE      PHE  12   5.645  -9.476   0.345
   89    HZ   PHE  12           HZ       PHE  12   3.389  -8.932   1.164
   90    HB2  PHE  12           2HB      PHE  12   6.034  -4.603  -1.629
   91    HB3  PHE  12           1HB      PHE  12   7.456  -5.535  -1.159
   92    H    GLY  13           H        GLY  13   6.620  -1.934  -1.249
   93    HA2  GLY  13           2HA      GLY  13   7.987  -0.411  -2.290
   94    HA3  GLY  13           1HA      GLY  13   9.050  -0.612  -0.906
   95    HA   PRO  14           HA       PRO  14  10.441  -3.444  -4.640
   96    HB2  PRO  14           2HB      PRO  14  10.391  -2.050  -6.975
   97    HB3  PRO  14           1HB      PRO  14   9.064  -3.097  -6.445
   98    HG2  PRO  14           2HG      PRO  14   9.331  -0.120  -6.237
   99    HG3  PRO  14           1HG      PRO  14   7.922  -1.087  -6.710
  100    HD2  PRO  14           2HD      PRO  14   8.194  -0.041  -4.232
  101    HD3  PRO  14           1HD      PRO  14   7.376  -1.590  -4.525
  102    H    ALA  15           H        ALA  15  12.587  -3.476  -4.504
  103    HA   ALA  15           HA       ALA  15  14.051  -0.931  -4.486
  104    HB1  ALA  15           3HB      ALA  15  15.893  -2.254  -3.482
  105    HB2  ALA  15           1HB      ALA  15  14.844  -3.671  -3.507
  106    HB3  ALA  15           2HB      ALA  15  14.412  -2.273  -2.524
  107    H    ALA  16           H        ALA  16  14.559  -0.413  -6.540
  108    HA   ALA  16           HA       ALA  16  16.509  -2.006  -7.910
  109    HB1  ALA  16           3HB      ALA  16  13.855  -1.620  -9.287
  110    HB2  ALA  16           1HB      ALA  16  14.402  -3.135  -8.569
  111    HB3  ALA  16           2HB      ALA  16  15.276  -2.438  -9.932
  Start of MODEL   12
    1    H1   GLY   1           1HT      GLY   1 -13.009   0.908  -9.710
    2    H2   GLY   1           2HT      GLY   1 -11.502   1.678  -9.767
    3    H3   GLY   1           3HT      GLY   1 -12.876   2.544  -9.292
    4    HA2  GLY   1           1HA      GLY   1 -12.114   2.131  -7.231
    5    HA3  GLY   1           2HA      GLY   1 -12.971   0.620  -7.488
    6    H    ALA   2           H        ALA   2  -9.834   2.179  -7.472
    7    HA   ALA   2           HA       ALA   2  -8.587  -0.327  -6.740
    8    HB1  ALA   2           3HB      ALA   2  -8.379  -0.609  -9.073
    9    HB2  ALA   2           1HB      ALA   2  -6.807  -0.034  -8.519
   10    HB3  ALA   2           2HB      ALA   2  -7.922   1.077  -9.313
   11    H    ALA   3           H        ALA   3  -8.958   1.892  -5.193
   12    HA   ALA   3           HA       ALA   3  -6.296   3.154  -5.104
   13    HB1  ALA   3           3HB      ALA   3  -8.477   4.355  -3.530
   14    HB2  ALA   3           1HB      ALA   3  -8.652   4.442  -5.282
   15    HB3  ALA   3           2HB      ALA   3  -7.222   5.119  -4.503
   16    H    ILE   4           H        ILE   4  -8.374   0.983  -3.514
   17    HA   ILE   4           HA       ILE   4  -6.757   1.181  -1.065
   18    HB   ILE   4           HB       ILE   4  -9.073   1.784  -0.599
   19   HG12  ILE   4          2HG1      ILE   4  -9.529   0.154   1.184
   20   HG13  ILE   4          1HG1      ILE   4  -8.390  -0.973   0.454
   21   HG21  ILE   4          1HG2      ILE   4 -10.159   0.621  -2.425
   22   HG22  ILE   4          2HG2      ILE   4 -10.876   0.135  -0.888
   23   HG23  ILE   4          3HG2      ILE   4  -9.744  -0.938  -1.711
   24   HD11  ILE   4          3HD1      ILE   4  -7.886   1.029   2.364
   25   HD12  ILE   4          1HD1      ILE   4  -7.078   1.519   0.873
   26   HD13  ILE   4          2HD1      ILE   4  -6.733  -0.057   1.587
   27    H    GLY   5           H        GLY   5  -8.306  -0.933  -3.374
   28    HA2  GLY   5           2HA      GLY   5  -7.665  -3.405  -2.217
   29    HA3  GLY   5           1HA      GLY   5  -7.936  -3.129  -3.931
   30    H    LEU   6           H        LEU   6  -5.676  -1.094  -3.838
   31    HA   LEU   6           HA       LEU   6  -3.436  -3.004  -3.734
   32    HG   LEU   6           HG       LEU   6  -3.813  -3.866  -6.136
   33    HB2  LEU   6           2HB      LEU   6  -3.910  -0.864  -5.811
   34    HB3  LEU   6           1HB      LEU   6  -2.458  -1.835  -5.687
   35   HD11  LEU   6          1HD1      LEU   6  -6.001  -3.674  -5.713
   36   HD12  LEU   6          2HD1      LEU   6  -6.097  -2.976  -7.330
   37   HD13  LEU   6          3HD1      LEU   6  -5.988  -1.922  -5.921
   38   HD21  LEU   6          3HD2      LEU   6  -4.502  -2.952  -8.553
   39   HD22  LEU   6          1HD2      LEU   6  -2.831  -3.266  -8.084
   40   HD23  LEU   6          2HD2      LEU   6  -3.468  -1.623  -8.030
   41    H    ALA   7           H        ALA   7  -4.343  -1.089  -1.741
   42    HA   ALA   7           HA       ALA   7  -2.199   0.915  -1.792
   43    HB1  ALA   7           3HB      ALA   7  -3.532   1.769   0.260
   44    HB2  ALA   7           1HB      ALA   7  -4.814   0.732  -0.364
   45    HB3  ALA   7           2HB      ALA   7  -4.170   2.037  -1.362
   46    H    TRP   8           H        TRP   8  -2.179  -2.091  -0.977
   47    HA   TRP   8           HA       TRP   8  -0.983  -1.722   1.689
   48    HD1  TRP   8           HD       TRP   8  -3.847  -3.585  -0.885
   49    HE1  TRP   8           1HE      TRP   8  -3.633  -5.552  -2.531
   50    HE3  TRP   8           3HE      TRP   8   0.144  -5.975   1.226
   51    HZ2  TRP   8           2HZ      TRP   8  -1.972  -7.807  -2.901
   52    HZ3  TRP   8           3HZ      TRP   8   1.001  -8.016   0.156
   53    HH2  TRP   8           HH       TRP   8  -0.039  -8.913  -1.865
   54    HB2  TRP   8           2HB      TRP   8  -1.326  -4.153   1.994
   55    HB3  TRP   8           1HB      TRP   8  -2.849  -3.312   1.678
   56    H    ILE   9           H        ILE   9  -0.583  -3.196  -1.480
   57    HA   ILE   9           HA       ILE   9   1.788  -4.547  -1.085
   58    HB   ILE   9           HB       ILE   9   0.576  -4.896  -3.097
   59   HG12  ILE   9          2HG1      ILE   9   3.068  -5.164  -3.107
   60   HG13  ILE   9          1HG1      ILE   9   2.342  -4.959  -4.699
   61   HG21  ILE   9          1HG2      ILE   9   1.294  -2.187  -4.146
   62   HG22  ILE   9          2HG2      ILE   9  -0.194  -2.475  -3.249
   63   HG23  ILE   9          3HG2      ILE   9   0.111  -3.338  -4.755
   64   HD11  ILE   9          3HD1      ILE   9   3.856  -3.385  -5.067
   65   HD12  ILE   9          1HD1      ILE   9   4.387  -3.424  -3.388
   66   HD13  ILE   9          2HD1      ILE   9   3.043  -2.389  -3.864
   67    HA   PRO  10           HA       PRO  10   3.981  -0.235  -2.479
   68    HB2  PRO  10           2HB      PRO  10   2.903   1.498  -0.481
   69    HB3  PRO  10           1HB      PRO  10   2.781   1.667  -2.233
   70    HG2  PRO  10           2HG      PRO  10   0.844   0.520  -0.302
   71    HG3  PRO  10           1HG      PRO  10   0.545   1.338  -1.846
   72    HD2  PRO  10           2HD      PRO  10   0.242  -1.299  -1.615
   73    HD3  PRO  10           1HD      PRO  10   0.952  -0.598  -3.084
   74    H    TYR  11           H        TYR  11   2.821  -1.460   0.583
   75    HA   TYR  11           HA       TYR  11   4.790  -0.589   2.330
   76    HD1  TYR  11           2HD      TYR  11   2.803   0.206   2.244
   77    HD2  TYR  11           1HD      TYR  11   1.705  -3.268   4.445
   78    HE1  TYR  11           2HE      TYR  11   0.795   1.363   3.058
   79    HE2  TYR  11           1HE      TYR  11  -0.308  -2.118   5.263
   80    HH   TYR  11           HH       TYR  11  -0.939   0.462   5.616
   81    HB2  TYR  11           2HB      TYR  11   3.314  -3.230   2.274
   82    HB3  TYR  11           1HB      TYR  11   4.226  -2.622   3.652
   83    H    PHE  12           H        PHE  12   4.784  -3.323   0.097
   84    HA   PHE  12           HA       PHE  12   7.343  -4.291   0.994
   85    HD1  PHE  12           1HD      PHE  12   3.967  -4.829   0.733
   86    HD2  PHE  12           2HD      PHE  12   6.928  -7.827   0.133
   87    HE1  PHE  12           1HE      PHE  12   2.728  -6.344   2.220
   88    HE2  PHE  12           2HE      PHE  12   5.691  -9.349   1.618
   89    HZ   PHE  12           HZ       PHE  12   3.588  -8.609   2.663
   90    HB2  PHE  12           2HB      PHE  12   5.648  -5.033  -1.398
   91    HB3  PHE  12           1HB      PHE  12   7.153  -5.841  -0.959
   92    H    GLY  13           H        GLY  13   6.151  -2.226  -1.574
   93    HA2  GLY  13           2HA      GLY  13   7.764  -0.512  -2.325
   94    HA3  GLY  13           1HA      GLY  13   8.955  -1.799  -2.411
   95    HA   PRO  14           HA       PRO  14   5.773  -2.010  -6.157
   96    HB2  PRO  14           2HB      PRO  14   5.841   0.877  -6.781
   97    HB3  PRO  14           1HB      PRO  14   4.469  -0.241  -6.771
   98    HG2  PRO  14           2HG      PRO  14   4.761   1.625  -4.871
   99    HG3  PRO  14           1HG      PRO  14   4.105   0.019  -4.502
  100    HD2  PRO  14           2HD      PRO  14   6.859   1.098  -4.024
  101    HD3  PRO  14           1HD      PRO  14   5.850   0.083  -2.973
  102    H    ALA  15           H        ALA  15   7.707  -2.979  -6.913
  103    HA   ALA  15           HA       ALA  15   9.113  -1.346  -8.879
  104    HB1  ALA  15           3HB      ALA  15  11.208  -1.546  -8.031
  105    HB2  ALA  15           1HB      ALA  15  10.869  -3.095  -7.259
  106    HB3  ALA  15           2HB      ALA  15  10.316  -1.597  -6.510
  107    H    ALA  16           H        ALA  16   7.647  -2.749 -10.161
  108    HA   ALA  16           HA       ALA  16   7.291  -4.492 -11.581
  109    HB1  ALA  16           3HB      ALA  16   9.406  -4.139 -12.510
  110    HB2  ALA  16           1HB      ALA  16   9.382  -5.864 -12.142
  111    HB3  ALA  16           2HB      ALA  16  10.238  -4.747 -11.078
  Start of MODEL   13
    1    H1   GLY   1           1HT      GLY   1  -4.964   0.822   1.150
    2    H2   GLY   1           2HT      GLY   1  -4.481  -0.632   0.434
    3    H3   GLY   1           3HT      GLY   1  -5.357  -0.653   1.880
    4    HA2  GLY   1           1HA      GLY   1  -6.296  -0.017  -0.843
    5    HA3  GLY   1           2HA      GLY   1  -6.944  -1.192   0.291
    6    H    ALA   2           H        ALA   2  -6.189   2.290   0.445
    7    HA   ALA   2           HA       ALA   2  -8.931   2.725   1.442
    8    HB1  ALA   2           3HB      ALA   2  -8.155   4.431   2.882
    9    HB2  ALA   2           1HB      ALA   2  -6.565   4.455   2.119
   10    HB3  ALA   2           2HB      ALA   2  -7.052   3.073   3.099
   11    H    ALA   3           H        ALA   3  -8.191   2.738  -1.318
   12    HA   ALA   3           HA       ALA   3  -9.387   5.145  -2.145
   13    HB1  ALA   3           3HB      ALA   3  -6.838   5.667  -1.489
   14    HB2  ALA   3           1HB      ALA   3  -7.705   6.523  -2.763
   15    HB3  ALA   3           2HB      ALA   3  -6.621   5.194  -3.174
   16    H    ILE   4           H        ILE   4  -7.084   2.621  -3.109
   17    HA   ILE   4           HA       ILE   4  -8.605   2.303  -5.614
   18    HB   ILE   4           HB       ILE   4  -6.350   3.054  -6.080
   19   HG12  ILE   4          2HG1      ILE   4  -6.642   0.099  -6.670
   20   HG13  ILE   4          1HG1      ILE   4  -7.354   1.404  -7.615
   21   HG21  ILE   4          1HG2      ILE   4  -4.620   2.494  -4.813
   22   HG22  ILE   4          2HG2      ILE   4  -4.806   0.797  -5.257
   23   HG23  ILE   4          3HG2      ILE   4  -5.673   1.445  -3.865
   24   HD11  ILE   4          3HD1      ILE   4  -4.534   1.817  -7.333
   25   HD12  ILE   4          1HD1      ILE   4  -5.497   1.615  -8.795
   26   HD13  ILE   4          2HD1      ILE   4  -4.858   0.200  -7.956
   27    H    GLY   5           H        GLY   5  -7.677   0.844  -2.684
   28    HA2  GLY   5           2HA      GLY   5  -8.491  -1.183  -1.853
   29    HA3  GLY   5           1HA      GLY   5  -8.961  -1.635  -3.486
   30    H    LEU   6           H        LEU   6  -5.923  -0.539  -3.846
   31    HA   LEU   6           HA       LEU   6  -4.672  -3.112  -3.166
   32    HG   LEU   6           HG       LEU   6  -5.104  -3.677  -6.848
   33    HB2  LEU   6           2HB      LEU   6  -4.341  -1.601  -5.756
   34    HB3  LEU   6           1HB      LEU   6  -3.405  -3.006  -5.288
   35   HD11  LEU   6          1HD1      LEU   6  -6.171  -4.606  -4.215
   36   HD12  LEU   6          2HD1      LEU   6  -4.546  -5.051  -4.736
   37   HD13  LEU   6          3HD1      LEU   6  -5.941  -5.510  -5.713
   38   HD21  LEU   6          3HD2      LEU   6  -6.638  -1.686  -5.741
   39   HD22  LEU   6          1HD2      LEU   6  -7.429  -3.156  -5.173
   40   HD23  LEU   6          2HD2      LEU   6  -7.193  -2.893  -6.899
   41    H    ALA   7           H        ALA   7  -4.647  -0.454  -1.893
   42    HA   ALA   7           HA       ALA   7  -1.919   0.474  -2.330
   43    HB1  ALA   7           3HB      ALA   7  -3.800   2.090  -2.090
   44    HB2  ALA   7           1HB      ALA   7  -2.485   2.341  -0.943
   45    HB3  ALA   7           2HB      ALA   7  -3.976   1.563  -0.417
   46    H    TRP   8           H        TRP   8  -1.855  -2.041  -1.412
   47    HA   TRP   8           HA       TRP   8  -1.116  -1.778   1.437
   48    HD1  TRP   8           HD       TRP   8  -3.685  -3.522  -1.520
   49    HE1  TRP   8           1HE      TRP   8  -3.272  -5.416  -3.213
   50    HE3  TRP   8           3HE      TRP   8   0.047  -6.000   0.935
   51    HZ2  TRP   8           2HZ      TRP   8  -1.568  -7.651  -3.483
   52    HZ3  TRP   8           3HZ      TRP   8   1.032  -7.992  -0.117
   53    HH2  TRP   8           HH       TRP   8   0.239  -8.800  -2.282
   54    HB2  TRP   8           2HB      TRP   8  -1.529  -4.218   1.613
   55    HB3  TRP   8           1HB      TRP   8  -2.987  -3.336   1.137
   56    H    ILE   9           H        ILE   9  -0.365  -3.099  -1.704
   57    HA   ILE   9           HA       ILE   9   1.944  -4.519  -1.109
   58    HB   ILE   9           HB       ILE   9   0.830  -4.749  -3.232
   59   HG12  ILE   9          2HG1      ILE   9   3.662  -3.720  -3.465
   60   HG13  ILE   9          1HG1      ILE   9   3.159  -5.383  -3.168
   61   HG21  ILE   9          1HG2      ILE   9   0.796  -3.082  -4.921
   62   HG22  ILE   9          2HG2      ILE   9   1.854  -2.025  -3.989
   63   HG23  ILE   9          3HG2      ILE   9   0.207  -2.335  -3.437
   64   HD11  ILE   9          3HD1      ILE   9   3.644  -4.134  -5.637
   65   HD12  ILE   9          1HD1      ILE   9   1.911  -4.453  -5.551
   66   HD13  ILE   9          2HD1      ILE   9   3.062  -5.773  -5.336
   67    HA   PRO  10           HA       PRO  10   4.182  -0.127  -2.266
   68    HB2  PRO  10           2HB      PRO  10   3.043   1.485  -0.204
   69    HB3  PRO  10           1HB      PRO  10   2.951   1.745  -1.948
   70    HG2  PRO  10           2HG      PRO  10   1.002   0.446  -0.119
   71    HG3  PRO  10           1HG      PRO  10   0.707   1.380  -1.597
   72    HD2  PRO  10           2HD      PRO  10   0.424  -1.252  -1.606
   73    HD3  PRO  10           1HD      PRO  10   1.202  -0.442  -2.983
   74    H    TYR  11           H        TYR  11   2.938  -1.490   0.712
   75    HA   TYR  11           HA       TYR  11   4.832  -0.721   2.563
   76    HD1  TYR  11           2HD      TYR  11   2.804  -0.008   2.465
   77    HD2  TYR  11           1HD      TYR  11   1.814  -3.674   4.389
   78    HE1  TYR  11           2HE      TYR  11   0.724   0.999   3.301
   79    HE2  TYR  11           1HE      TYR  11  -0.269  -2.676   5.229
   80    HH   TYR  11           HH       TYR  11  -1.777  -0.855   4.715
   81    HB2  TYR  11           2HB      TYR  11   3.469  -3.405   2.259
   82    HB3  TYR  11           1HB      TYR  11   4.317  -2.873   3.708
   83    H    PHE  12           H        PHE  12   4.940  -3.423   0.274
   84    HA   PHE  12           HA       PHE  12   7.614  -4.170   1.086
   85    HD1  PHE  12           1HD      PHE  12   7.439  -6.302   2.007
   86    HD2  PHE  12           2HD      PHE  12   4.039  -6.318  -0.553
   87    HE1  PHE  12           1HE      PHE  12   6.243  -7.734   3.610
   88    HE2  PHE  12           2HE      PHE  12   2.837  -7.749   1.047
   89    HZ   PHE  12           HZ       PHE  12   3.939  -8.460   3.131
   90    HB2  PHE  12           2HB      PHE  12   5.897  -5.162  -1.202
   91    HB3  PHE  12           1HB      PHE  12   7.431  -5.873  -0.692
   92    H    GLY  13           H        GLY  13   6.090  -2.330  -1.465
   93    HA2  GLY  13           2HA      GLY  13   8.585  -1.119  -2.181
   94    HA3  GLY  13           1HA      GLY  13   8.016  -2.231  -3.415
   95    HA   PRO  14           HA       PRO  14   4.996   1.686  -2.819
   96    HB2  PRO  14           2HB      PRO  14   7.310   3.561  -2.922
   97    HB3  PRO  14           1HB      PRO  14   5.776   3.707  -2.047
   98    HG2  PRO  14           2HG      PRO  14   8.021   3.097  -0.753
   99    HG3  PRO  14           1HG      PRO  14   6.483   2.328  -0.318
  100    HD2  PRO  14           2HD      PRO  14   8.784   1.222  -1.868
  101    HD3  PRO  14           1HD      PRO  14   7.715   0.414  -0.703
  102    H    ALA  15           H        ALA  15   4.162   2.175  -4.751
  103    HA   ALA  15           HA       ALA  15   5.581   1.675  -7.151
  104    HB1  ALA  15           3HB      ALA  15   3.064   1.504  -6.723
  105    HB2  ALA  15           1HB      ALA  15   3.586   2.157  -8.276
  106    HB3  ALA  15           2HB      ALA  15   3.026   3.244  -7.004
  107    H    ALA  16           H        ALA  16   5.152   3.521  -8.968
  108    HA   ALA  16           HA       ALA  16   5.943   5.460  -9.861
  109    HB1  ALA  16           3HB      ALA  16   5.036   6.335  -7.153
  110    HB2  ALA  16           1HB      ALA  16   4.377   6.730  -8.741
  111    HB3  ALA  16           2HB      ALA  16   5.885   7.470  -8.202
  Start of MODEL   14
    1    H1   GLY   1           1HT      GLY   1  -8.864   1.223  -6.186
    2    H2   GLY   1           2HT      GLY   1 -10.129   0.559  -7.088
    3    H3   GLY   1           3HT      GLY   1  -9.257   1.872  -7.699
    4    HA2  GLY   1           1HA      GLY   1  -7.564   0.620  -8.432
    5    HA3  GLY   1           2HA      GLY   1  -7.648  -0.437  -7.032
    6    H    ALA   2           H        ALA   2  -7.342  -2.209  -8.497
    7    HA   ALA   2           HA       ALA   2  -9.456  -2.770 -10.406
    8    HB1  ALA   2           3HB      ALA   2  -8.130  -4.616 -11.114
    9    HB2  ALA   2           1HB      ALA   2  -7.136  -4.539  -9.661
   10    HB3  ALA   2           2HB      ALA   2  -7.039  -3.254 -10.864
   11    H    ALA   3           H        ALA   3  -8.446  -3.767  -7.215
   12    HA   ALA   3           HA       ALA   3 -10.805  -5.525  -7.074
   13    HB1  ALA   3           3HB      ALA   3  -8.077  -5.997  -5.886
   14    HB2  ALA   3           1HB      ALA   3  -8.899  -6.964  -7.111
   15    HB3  ALA   3           2HB      ALA   3  -9.513  -6.927  -5.457
   16    H    ILE   4           H        ILE   4  -8.437  -4.465  -4.648
   17    HA   ILE   4           HA       ILE   4 -10.666  -3.326  -3.102
   18    HB   ILE   4           HB       ILE   4  -9.570  -5.193  -1.974
   19   HG12  ILE   4          2HG1      ILE   4  -8.917  -2.519  -0.712
   20   HG13  ILE   4          1HG1      ILE   4 -10.461  -3.359  -0.607
   21   HG21  ILE   4          1HG2      ILE   4  -7.082  -3.541  -2.333
   22   HG22  ILE   4          2HG2      ILE   4  -7.395  -5.174  -2.919
   23   HG23  ILE   4          3HG2      ILE   4  -7.200  -4.880  -1.192
   24   HD11  ILE   4          3HD1      ILE   4  -7.863  -4.007   0.703
   25   HD12  ILE   4          1HD1      ILE   4  -9.059  -5.272   0.430
   26   HD13  ILE   4          2HD1      ILE   4  -9.475  -3.864   1.408
   27    H    GLY   5           H        GLY   5  -7.702  -2.620  -4.676
   28    HA2  GLY   5           2HA      GLY   5  -7.643  -0.082  -5.066
   29    HA3  GLY   5           1HA      GLY   5  -7.521  -0.016  -3.315
   30    H    LEU   6           H        LEU   6  -5.874  -2.648  -3.668
   31    HA   LEU   6           HA       LEU   6  -3.663  -3.161  -3.555
   32    HG   LEU   6           HG       LEU   6  -5.065  -3.245  -6.332
   33    HB2  LEU   6           2HB      LEU   6  -3.631  -1.307  -5.926
   34    HB3  LEU   6           1HB      LEU   6  -2.305  -2.363  -5.480
   35   HD11  LEU   6          1HD1      LEU   6  -3.504  -2.298  -8.086
   36   HD12  LEU   6          2HD1      LEU   6  -4.091  -3.937  -8.363
   37   HD13  LEU   6          3HD1      LEU   6  -2.456  -3.676  -7.758
   38   HD21  LEU   6          3HD2      LEU   6  -3.581  -5.465  -6.457
   39   HD22  LEU   6          1HD2      LEU   6  -4.508  -5.011  -5.028
   40   HD23  LEU   6          2HD2      LEU   6  -2.781  -4.665  -5.103
   41    H    ALA   7           H        ALA   7  -4.531  -0.964  -1.912
   42    HA   ALA   7           HA       ALA   7  -2.236   0.857  -1.939
   43    HB1  ALA   7           3HB      ALA   7  -4.823   1.447  -1.626
   44    HB2  ALA   7           1HB      ALA   7  -3.528   2.397  -0.899
   45    HB3  ALA   7           2HB      ALA   7  -4.381   1.191   0.064
   46    H    TRP   8           H        TRP   8  -2.001  -1.931  -1.133
   47    HA   TRP   8           HA       TRP   8  -1.138  -1.535   1.664
   48    HD1  TRP   8           HD       TRP   8  -3.993  -3.485  -0.937
   49    HE1  TRP   8           1HE      TRP   8  -3.687  -5.476  -2.540
   50    HE3  TRP   8           3HE      TRP   8   0.025  -5.710   1.298
   51    HZ2  TRP   8           2HZ      TRP   8  -1.949  -7.685  -2.832
   52    HZ3  TRP   8           3HZ      TRP   8   0.968  -7.741   0.285
   53    HH2  TRP   8           HH       TRP   8  -0.003  -8.709  -1.738
   54    HB2  TRP   8           2HB      TRP   8  -1.578  -3.944   2.034
   55    HB3  TRP   8           1HB      TRP   8  -3.050  -3.072   1.592
   56    H    ILE   9           H        ILE   9  -0.602  -3.054  -1.437
   57    HA   ILE   9           HA       ILE   9   1.683  -4.516  -0.908
   58    HB   ILE   9           HB       ILE   9   0.458  -4.752  -2.978
   59   HG12  ILE   9          2HG1      ILE   9   3.334  -3.897  -3.348
   60   HG13  ILE   9          1HG1      ILE   9   2.755  -5.514  -2.966
   61   HG21  ILE   9          1HG2      ILE   9  -0.041  -2.323  -3.252
   62   HG22  ILE   9          2HG2      ILE   9   0.476  -3.140  -4.727
   63   HG23  ILE   9          3HG2      ILE   9   1.607  -2.110  -3.845
   64   HD11  ILE   9          3HD1      ILE   9   2.559  -5.983  -5.112
   65   HD12  ILE   9          1HD1      ILE   9   3.213  -4.391  -5.498
   66   HD13  ILE   9          2HD1      ILE   9   1.470  -4.614  -5.339
   67    HA   PRO  10           HA       PRO  10   4.030  -0.256  -2.319
   68    HB2  PRO  10           2HB      PRO  10   3.058   1.427  -0.210
   69    HB3  PRO  10           1HB      PRO  10   2.945   1.692  -1.950
   70    HG2  PRO  10           2HG      PRO  10   0.948   0.566  -0.079
   71    HG3  PRO  10           1HG      PRO  10   0.700   1.431  -1.606
   72    HD2  PRO  10           2HD      PRO  10   0.278  -1.193  -1.431
   73    HD3  PRO  10           1HD      PRO  10   1.018  -0.490  -2.884
   74    H    TYR  11           H        TYR  11   2.946  -1.521   0.765
   75    HA   TYR  11           HA       TYR  11   4.986  -0.761   2.459
   76    HD1  TYR  11           2HD      TYR  11   2.988   0.022   2.463
   77    HD2  TYR  11           1HD      TYR  11   1.990  -3.536   4.575
   78    HE1  TYR  11           2HE      TYR  11   1.001   1.134   3.387
   79    HE2  TYR  11           1HE      TYR  11  -0.000  -2.431   5.503
   80    HH   TYR  11           HH       TYR  11  -1.431   0.048   4.362
   81    HB2  TYR  11           2HB      TYR  11   3.523  -3.406   2.353
   82    HB3  TYR  11           1HB      TYR  11   4.477  -2.840   3.719
   83    H    PHE  12           H        PHE  12   4.956  -3.223  -0.029
   84    HA   PHE  12           HA       PHE  12   7.606  -4.171   0.732
   85    HD1  PHE  12           1HD      PHE  12   4.047  -4.776   0.444
   86    HD2  PHE  12           2HD      PHE  12   7.137  -7.698   0.281
   87    HE1  PHE  12           1HE      PHE  12   2.790  -6.186   2.017
   88    HE2  PHE  12           2HE      PHE  12   5.881  -9.116   1.851
   89    HZ   PHE  12           HZ       PHE  12   3.704  -8.362   2.720
   90    HB2  PHE  12           2HB      PHE  12   5.806  -5.056  -1.540
   91    HB3  PHE  12           1HB      PHE  12   7.308  -5.839  -1.042
   92    H    GLY  13           H        GLY  13   5.977  -2.311  -1.749
   93    HA2  GLY  13           2HA      GLY  13   7.992  -2.182  -3.678
   94    HA3  GLY  13           1HA      GLY  13   6.769  -0.950  -3.412
   95    HA   PRO  14           HA       PRO  14  10.914   0.168  -1.111
   96    HB2  PRO  14           2HB      PRO  14  12.833  -0.495  -3.218
   97    HB3  PRO  14           1HB      PRO  14  12.855  -0.940  -1.507
   98    HG2  PRO  14           2HG      PRO  14  12.405  -2.747  -3.467
   99    HG3  PRO  14           1HG      PRO  14  11.668  -2.879  -1.860
  100    HD2  PRO  14           2HD      PRO  14  10.470  -1.866  -4.417
  101    HD3  PRO  14           1HD      PRO  14   9.755  -2.924  -3.181
  102    H    ALA  15           H        ALA  15  11.661   2.238  -1.297
  103    HA   ALA  15           HA       ALA  15  11.882   4.347  -2.120
  104    HB1  ALA  15           3HB      ALA  15  12.865   2.593  -4.266
  105    HB2  ALA  15           1HB      ALA  15  13.629   3.982  -3.490
  106    HB3  ALA  15           2HB      ALA  15  12.437   4.229  -4.765
  107    H    ALA  16           H        ALA  16  11.173   5.701  -4.287
  108    HA   ALA  16           HA       ALA  16   8.316   5.076  -4.666
  109    HB1  ALA  16           3HB      ALA  16   9.229   7.213  -3.316
  110    HB2  ALA  16           1HB      ALA  16   7.717   7.209  -4.226
  111    HB3  ALA  16           2HB      ALA  16   9.179   7.883  -4.946
  Start of MODEL   15
    1    H1   GLY   1           1HT      GLY   1 -10.921  -1.692  -3.637
    2    H2   GLY   1           2HT      GLY   1 -10.293  -3.159  -4.195
    3    H3   GLY   1           3HT      GLY   1 -11.965  -2.967  -4.024
    4    HA2  GLY   1           1HA      GLY   1 -11.746  -2.691  -6.274
    5    HA3  GLY   1           2HA      GLY   1 -11.672  -1.035  -5.689
    6    H    ALA   2           H        ALA   2 -10.318  -0.025  -7.039
    7    HA   ALA   2           HA       ALA   2  -7.610  -1.138  -7.315
    8    HB1  ALA   2           3HB      ALA   2  -7.793   0.110  -9.661
    9    HB2  ALA   2           1HB      ALA   2  -9.491  -0.317  -9.452
   10    HB3  ALA   2           2HB      ALA   2  -8.258  -1.577  -9.448
   11    H    ALA   3           H        ALA   3  -8.659   0.864  -5.494
   12    HA   ALA   3           HA       ALA   3  -6.883   3.068  -6.251
   13    HB1  ALA   3           3HB      ALA   3  -9.562   3.643  -5.024
   14    HB2  ALA   3           1HB      ALA   3  -9.329   3.584  -6.771
   15    HB3  ALA   3           2HB      ALA   3  -8.441   4.760  -5.802
   16    H    ILE   4           H        ILE   4  -8.863   1.612  -3.690
   17    HA   ILE   4           HA       ILE   4  -6.855   2.509  -1.734
   18    HB   ILE   4           HB       ILE   4  -9.023   3.537  -1.310
   19   HG12  ILE   4          2HG1      ILE   4  -9.329   2.812   1.022
   20   HG13  ILE   4          1HG1      ILE   4  -8.391   1.357   0.695
   21   HG21  ILE   4          1HG2      ILE   4 -10.551   2.048  -2.313
   22   HG22  ILE   4          2HG2      ILE   4 -10.916   2.020  -0.587
   23   HG23  ILE   4          3HG2      ILE   4 -10.007   0.698  -1.318
   24   HD11  ILE   4          3HD1      ILE   4  -6.857   3.623  -0.079
   25   HD12  ILE   4          1HD1      ILE   4  -6.528   2.434   1.181
   26   HD13  ILE   4          2HD1      ILE   4  -7.473   3.876   1.554
   27    H    GLY   5           H        GLY   5  -8.762  -0.139  -2.924
   28    HA2  GLY   5           2HA      GLY   5  -8.021  -1.993  -0.873
   29    HA3  GLY   5           1HA      GLY   5  -8.785  -2.387  -2.405
   30    H    LEU   6           H        LEU   6  -6.344  -0.700  -3.511
   31    HA   LEU   6           HA       LEU   6  -4.485  -2.988  -3.511
   32    HG   LEU   6           HG       LEU   6  -6.786  -2.619  -5.647
   33    HB2  LEU   6           2HB      LEU   6  -4.980  -0.968  -5.700
   34    HB3  LEU   6           1HB      LEU   6  -3.790  -2.255  -5.759
   35   HD11  LEU   6          1HD1      LEU   6  -4.911  -3.336  -7.882
   36   HD12  LEU   6          2HD1      LEU   6  -5.746  -1.784  -7.800
   37   HD13  LEU   6          3HD1      LEU   6  -6.673  -3.280  -7.904
   38   HD21  LEU   6          3HD2      LEU   6  -4.514  -4.474  -5.293
   39   HD22  LEU   6          1HD2      LEU   6  -5.833  -5.026  -6.326
   40   HD23  LEU   6          2HD2      LEU   6  -6.158  -4.555  -4.657
   41    H    ALA   7           H        ALA   7  -4.425  -0.913  -1.566
   42    HA   ALA   7           HA       ALA   7  -1.929   0.472  -2.307
   43    HB1  ALA   7           3HB      ALA   7  -3.871   1.971  -1.926
   44    HB2  ALA   7           1HB      ALA   7  -2.521   2.262  -0.829
   45    HB3  ALA   7           2HB      ALA   7  -3.944   1.385  -0.264
   46    H    TRP   8           H        TRP   8  -1.998  -2.170  -1.296
   47    HA   TRP   8           HA       TRP   8  -0.978  -1.833   1.448
   48    HD1  TRP   8           HD       TRP   8  -3.642  -3.682  -1.349
   49    HE1  TRP   8           1HE      TRP   8  -3.290  -5.614  -3.012
   50    HE3  TRP   8           3HE      TRP   8   0.233  -6.057   0.983
   51    HZ2  TRP   8           2HZ      TRP   8  -1.575  -7.840  -3.307
   52    HZ3  TRP   8           3HZ      TRP   8   1.188  -8.067  -0.063
   53    HH2  TRP   8           HH       TRP   8   0.299  -8.940  -2.165
   54    HB2  TRP   8           2HB      TRP   8  -1.316  -4.272   1.685
   55    HB3  TRP   8           1HB      TRP   8  -2.821  -3.438   1.277
   56    H    ILE   9           H        ILE   9  -0.332  -3.199  -1.720
   57    HA   ILE   9           HA       ILE   9   2.021  -4.547  -1.179
   58    HB   ILE   9           HB       ILE   9   0.952  -4.887  -3.270
   59   HG12  ILE   9          2HG1      ILE   9   3.445  -5.107  -3.120
   60   HG13  ILE   9          1HG1      ILE   9   2.821  -4.892  -4.753
   61   HG21  ILE   9          1HG2      ILE   9   0.155  -2.470  -3.435
   62   HG22  ILE   9          2HG2      ILE   9   0.555  -3.314  -4.928
   63   HG23  ILE   9          3HG2      ILE   9   1.688  -2.154  -4.242
   64   HD11  ILE   9          3HD1      ILE   9   3.412  -2.322  -3.845
   65   HD12  ILE   9          1HD1      ILE   9   4.330  -3.288  -4.997
   66   HD13  ILE   9          2HD1      ILE   9   4.738  -3.334  -3.283
   67    HA   PRO  10           HA       PRO  10   4.231  -0.182  -2.368
   68    HB2  PRO  10           2HB      PRO  10   3.003   1.499  -0.414
   69    HB3  PRO  10           1HB      PRO  10   2.988   1.698  -2.167
   70    HG2  PRO  10           2HG      PRO  10   0.948   0.495  -0.382
   71    HG3  PRO  10           1HG      PRO  10   0.738   1.329  -1.931
   72    HD2  PRO  10           2HD      PRO  10   0.462  -1.315  -1.752
   73    HD3  PRO  10           1HD      PRO  10   1.248  -0.583  -3.166
   74    H    TYR  11           H        TYR  11   2.902  -1.475   0.594
   75    HA   TYR  11           HA       TYR  11   4.754  -0.605   2.468
   76    HD1  TYR  11           2HD      TYR  11   2.773   0.185   2.272
   77    HD2  TYR  11           1HD      TYR  11   1.570  -3.312   4.380
   78    HE1  TYR  11           2HE      TYR  11   0.719   1.329   2.985
   79    HE2  TYR  11           1HE      TYR  11  -0.489  -2.174   5.097
   80    HH   TYR  11           HH       TYR  11  -1.800   0.270   3.768
   81    HB2  TYR  11           2HB      TYR  11   3.292  -3.246   2.294
   82    HB3  TYR  11           1HB      TYR  11   4.124  -2.657   3.730
   83    H    PHE  12           H        PHE  12   4.894  -3.320   0.215
   84    HA   PHE  12           HA       PHE  12   7.391  -4.297   1.258
   85    HD1  PHE  12           1HD      PHE  12   4.042  -4.828   0.771
   86    HD2  PHE  12           2HD      PHE  12   7.032  -7.820   0.311
   87    HE1  PHE  12           1HE      PHE  12   2.706  -6.367   2.144
   88    HE2  PHE  12           2HE      PHE  12   5.699  -9.366   1.683
   89    HZ   PHE  12           HZ       PHE  12   3.534  -8.640   2.602
   90    HB2  PHE  12           2HB      PHE  12   5.858  -4.999  -1.252
   91    HB3  PHE  12           1HB      PHE  12   7.332  -5.816  -0.726
   92    H    GLY  13           H        GLY  13   6.371  -2.207  -1.369
   93    HA2  GLY  13           2HA      GLY  13   8.135  -0.492  -1.893
   94    HA3  GLY  13           1HA      GLY  13   9.212  -1.862  -2.109
   95    HA   PRO  14           HA       PRO  14   6.300  -1.557  -5.908
   96    HB2  PRO  14           2HB      PRO  14   5.380   0.877  -6.525
   97    HB3  PRO  14           1HB      PRO  14   4.562  -0.139  -5.325
   98    HG2  PRO  14           2HG      PRO  14   6.392   2.187  -4.913
   99    HG3  PRO  14           1HG      PRO  14   4.925   1.741  -4.024
  100    HD2  PRO  14           2HD      PRO  14   7.525   1.214  -3.196
  101    HD3  PRO  14           1HD      PRO  14   6.077   0.373  -2.613
  102    H    ALA  15           H        ALA  15   8.190   1.402  -5.295
  103    HA   ALA  15           HA       ALA  15   9.883   2.401  -6.440
  104    HB1  ALA  15           3HB      ALA  15  10.484   0.085  -8.152
  105    HB2  ALA  15           1HB      ALA  15  10.521  -0.225  -6.415
  106    HB3  ALA  15           2HB      ALA  15  11.542   1.035  -7.109
  107    H    ALA  16           H        ALA  16  10.615   3.056  -8.664
  108    HA   ALA  16           HA       ALA  16  10.152   3.941 -10.707
  109    HB1  ALA  16           3HB      ALA  16   9.654   1.332 -10.986
  110    HB2  ALA  16           1HB      ALA  16   9.415   2.496 -12.290
  111    HB3  ALA  16           2HB      ALA  16   8.040   1.963 -11.321
  Start of MODEL   16
    1    H1   GLY   1           1HT      GLY   1  -2.687   1.602  -9.760
    2    H2   GLY   1           2HT      GLY   1  -3.079   0.537  -8.507
    3    H3   GLY   1           3HT      GLY   1  -1.461   0.926  -8.811
    4    HA2  GLY   1           1HA      GLY   1  -1.556   2.898  -7.753
    5    HA3  GLY   1           2HA      GLY   1  -3.214   3.174  -8.264
    6    H    ALA   2           H        ALA   2  -2.869   3.908  -5.818
    7    HA   ALA   2           HA       ALA   2  -3.485   1.656  -4.041
    8    HB1  ALA   2           3HB      ALA   2  -1.892   2.792  -2.900
    9    HB2  ALA   2           1HB      ALA   2  -3.289   3.712  -2.344
   10    HB3  ALA   2           2HB      ALA   2  -2.289   4.334  -3.658
   11    H    ALA   3           H        ALA   3  -5.369   2.936  -5.999
   12    HA   ALA   3           HA       ALA   3  -7.427   3.823  -4.084
   13    HB1  ALA   3           3HB      ALA   3  -7.160   5.642  -5.479
   14    HB2  ALA   3           1HB      ALA   3  -8.486   4.780  -6.257
   15    HB3  ALA   3           2HB      ALA   3  -6.848   4.642  -6.897
   16    H    ILE   4           H        ILE   4  -6.640   1.630  -6.682
   17    HA   ILE   4           HA       ILE   4  -9.286   0.660  -7.086
   18    HB   ILE   4           HB       ILE   4  -8.182  -1.079  -8.403
   19   HG12  ILE   4          2HG1      ILE   4  -5.617   0.199  -7.458
   20   HG13  ILE   4          1HG1      ILE   4  -6.193  -1.402  -7.006
   21   HG21  ILE   4          1HG2      ILE   4  -8.556   1.378  -9.153
   22   HG22  ILE   4          2HG2      ILE   4  -7.615   0.285 -10.168
   23   HG23  ILE   4          3HG2      ILE   4  -6.794   1.451  -9.130
   24   HD11  ILE   4          3HD1      ILE   4  -4.473  -1.558  -8.694
   25   HD12  ILE   4          1HD1      ILE   4  -5.398  -0.507  -9.767
   26   HD13  ILE   4          2HD1      ILE   4  -6.017  -2.104  -9.348
   27    H    GLY   5           H        GLY   5  -7.111   0.272  -4.577
   28    HA2  GLY   5           2HA      GLY   5  -7.992  -1.064  -2.692
   29    HA3  GLY   5           1HA      GLY   5  -8.285  -2.343  -3.863
   30    H    LEU   6           H        LEU   6  -5.503  -1.075  -4.911
   31    HA   LEU   6           HA       LEU   6  -3.921  -3.082  -3.493
   32    HG   LEU   6           HG       LEU   6  -1.208  -2.259  -4.878
   33    HB2  LEU   6           2HB      LEU   6  -3.908  -3.074  -5.958
   34    HB3  LEU   6           1HB      LEU   6  -3.265  -1.444  -5.944
   35   HD11  LEU   6          1HD1      LEU   6  -1.882  -4.112  -3.609
   36   HD12  LEU   6          2HD1      LEU   6  -0.886  -4.784  -4.900
   37   HD13  LEU   6          3HD1      LEU   6  -2.644  -4.892  -4.996
   38   HD21  LEU   6          3HD2      LEU   6  -0.279  -2.855  -6.844
   39   HD22  LEU   6          1HD2      LEU   6  -1.869  -2.424  -7.477
   40   HD23  LEU   6          2HD2      LEU   6  -1.476  -4.112  -7.152
   41    H    ALA   7           H        ALA   7  -4.500  -1.060  -1.839
   42    HA   ALA   7           HA       ALA   7  -2.176   0.735  -1.836
   43    HB1  ALA   7           3HB      ALA   7  -4.728   1.419  -1.539
   44    HB2  ALA   7           1HB      ALA   7  -3.418   2.281  -0.734
   45    HB3  ALA   7           2HB      ALA   7  -4.347   1.070   0.147
   46    H    TRP   8           H        TRP   8  -1.911  -2.032  -1.129
   47    HA   TRP   8           HA       TRP   8  -1.143  -1.753   1.709
   48    HD1  TRP   8           HD       TRP   8  -3.842  -3.537  -1.083
   49    HE1  TRP   8           1HE      TRP   8  -3.530  -5.465  -2.760
   50    HE3  TRP   8           3HE      TRP   8  -0.011  -6.003   1.228
   51    HZ2  TRP   8           2HZ      TRP   8  -1.860  -7.722  -3.072
   52    HZ3  TRP   8           3HZ      TRP   8   0.902  -8.024   0.167
   53    HH2  TRP   8           HH       TRP   8  -0.005  -8.865  -1.940
   54    HB2  TRP   8           2HB      TRP   8  -1.532  -4.193   1.946
   55    HB3  TRP   8           1HB      TRP   8  -3.013  -3.318   1.535
   56    H    ILE   9           H        ILE   9  -0.476  -3.082  -1.446
   57    HA   ILE   9           HA       ILE   9   1.877  -4.471  -0.862
   58    HB   ILE   9           HB       ILE   9   0.665  -4.818  -2.927
   59   HG12  ILE   9          2HG1      ILE   9   3.494  -3.815  -3.282
   60   HG13  ILE   9          1HG1      ILE   9   2.989  -5.460  -2.908
   61   HG21  ILE   9          1HG2      ILE   9   1.668  -2.134  -3.845
   62   HG22  ILE   9          2HG2      ILE   9   0.036  -2.419  -3.241
   63   HG23  ILE   9          3HG2      ILE   9   0.591  -3.236  -4.703
   64   HD11  ILE   9          3HD1      ILE   9   1.692  -4.624  -5.300
   65   HD12  ILE   9          1HD1      ILE   9   2.842  -5.940  -5.055
   66   HD13  ILE   9          2HD1      ILE   9   3.426  -4.319  -5.436
   67    HA   PRO  10           HA       PRO  10   3.913  -0.070  -2.363
   68    HB2  PRO  10           2HB      PRO  10   2.898   1.551  -0.232
   69    HB3  PRO  10           1HB      PRO  10   2.691   1.791  -1.968
   70    HG2  PRO  10           2HG      PRO  10   0.880   0.500  -0.007
   71    HG3  PRO  10           1HG      PRO  10   0.485   1.375  -1.499
   72    HD2  PRO  10           2HD      PRO  10   0.261  -1.266  -1.387
   73    HD3  PRO  10           1HD      PRO  10   0.923  -0.490  -2.841
   74    H    TYR  11           H        TYR  11   3.017  -1.413   0.740
   75    HA   TYR  11           HA       TYR  11   5.162  -0.510   2.294
   76    HD1  TYR  11           1HD      TYR  11   1.814  -0.909   1.958
   77    HD2  TYR  11           2HD      TYR  11   3.939  -1.647   5.570
   78    HE1  TYR  11           1HE      TYR  11   0.175   0.439   3.189
   79    HE2  TYR  11           2HE      TYR  11   2.300  -0.301   6.812
   80    HH   TYR  11           HH       TYR  11  -0.394   0.326   6.226
   81    HB2  TYR  11           2HB      TYR  11   3.488  -3.016   2.434
   82    HB3  TYR  11           1HB      TYR  11   4.707  -2.622   3.641
   83    H    PHE  12           H        PHE  12   4.783  -3.409   0.294
   84    HA   PHE  12           HA       PHE  12   7.483  -4.293   0.819
   85    HD1  PHE  12           1HD      PHE  12   7.257  -6.331   1.937
   86    HD2  PHE  12           2HD      PHE  12   3.580  -6.244  -0.202
   87    HE1  PHE  12           1HE      PHE  12   6.160  -7.534   3.782
   88    HE2  PHE  12           2HE      PHE  12   2.476  -7.446   1.639
   89    HZ   PHE  12           HZ       PHE  12   3.766  -8.092   3.636
   90    HB2  PHE  12           2HB      PHE  12   5.428  -5.310  -1.157
   91    HB3  PHE  12           1HB      PHE  12   6.955  -6.105  -0.767
   92    H    GLY  13           H        GLY  13   5.747  -2.612  -1.726
   93    HA2  GLY  13           2HA      GLY  13   7.529  -1.047  -2.828
   94    HA3  GLY  13           1HA      GLY  13   8.152  -2.582  -3.404
   95    HA   PRO  14           HA       PRO  14   3.835  -1.180  -5.478
   96    HB2  PRO  14           2HB      PRO  14   5.220   1.242  -6.524
   97    HB3  PRO  14           1HB      PRO  14   3.527   1.025  -6.053
   98    HG2  PRO  14           2HG      PRO  14   5.219   2.353  -4.481
   99    HG3  PRO  14           1HG      PRO  14   3.987   1.277  -3.794
  100    HD2  PRO  14           2HD      PRO  14   6.922   0.843  -4.115
  101    HD3  PRO  14           1HD      PRO  14   5.838   0.316  -2.812
  102    H    ALA  15           H        ALA  15   4.638  -3.052  -6.601
  103    HA   ALA  15           HA       ALA  15   5.432  -4.207  -8.399
  104    HB1  ALA  15           3HB      ALA  15   4.738  -3.413 -10.414
  105    HB2  ALA  15           1HB      ALA  15   5.354  -1.788 -10.116
  106    HB3  ALA  15           2HB      ALA  15   3.847  -2.313  -9.364
  107    H    ALA  16           H        ALA  16   6.998  -3.562 -10.559
  108    HA   ALA  16           HA       ALA  16   9.356  -2.147  -9.657
  109    HB1  ALA  16           3HB      ALA  16   9.786  -4.257  -8.617
  110    HB2  ALA  16           1HB      ALA  16  10.841  -4.118 -10.022
  111    HB3  ALA  16           2HB      ALA  16   9.395  -5.127 -10.101
  Start of MODEL   17
    1    H1   GLY   1           1HT      GLY   1  -4.833   6.955  -7.562
    2    H2   GLY   1           2HT      GLY   1  -4.651   5.372  -6.996
    3    H3   GLY   1           3HT      GLY   1  -4.599   6.669  -5.911
    4    HA2  GLY   1           1HA      GLY   1  -6.911   7.186  -6.353
    5    HA3  GLY   1           2HA      GLY   1  -6.969   5.861  -7.504
    6    H    ALA   2           H        ALA   2  -5.705   3.839  -6.230
    7    HA   ALA   2           HA       ALA   2  -6.045   2.154  -4.740
    8    HB1  ALA   2           3HB      ALA   2  -6.220   4.602  -3.070
    9    HB2  ALA   2           1HB      ALA   2  -5.095   3.245  -2.980
   10    HB3  ALA   2           2HB      ALA   2  -6.734   3.075  -2.351
   11    H    ALA   3           H        ALA   3  -8.171   2.674  -6.439
   12    HA   ALA   3           HA       ALA   3 -10.626   2.755  -4.927
   13    HB1  ALA   3           3HB      ALA   3 -10.083   2.265  -7.850
   14    HB2  ALA   3           1HB      ALA   3 -10.625   3.767  -7.102
   15    HB3  ALA   3           2HB      ALA   3 -11.694   2.364  -7.139
   16    H    ILE   4           H        ILE   4  -8.628   0.314  -6.489
   17    HA   ILE   4           HA       ILE   4 -10.533  -1.789  -5.975
   18    HB   ILE   4           HB       ILE   4  -8.847  -3.224  -7.011
   19   HG12  ILE   4          2HG1      ILE   4  -7.220  -0.696  -7.258
   20   HG13  ILE   4          1HG1      ILE   4  -6.832  -2.071  -6.229
   21   HG21  ILE   4          1HG2      ILE   4  -9.451  -2.636  -9.103
   22   HG22  ILE   4          2HG2      ILE   4  -8.927  -0.965  -8.893
   23   HG23  ILE   4          3HG2      ILE   4 -10.476  -1.493  -8.236
   24   HD11  ILE   4          3HD1      ILE   4  -6.787  -1.910  -9.221
   25   HD12  ILE   4          1HD1      ILE   4  -6.765  -3.446  -8.357
   26   HD13  ILE   4          2HD1      ILE   4  -5.465  -2.281  -8.116
   27    H    GLY   5           H        GLY   5  -8.704  -0.173  -3.912
   28    HA2  GLY   5           2HA      GLY   5  -7.938  -0.672  -1.803
   29    HA3  GLY   5           1HA      GLY   5  -8.555  -2.302  -2.029
   30    H    LEU   6           H        LEU   6  -6.317  -0.991  -4.332
   31    HA   LEU   6           HA       LEU   6  -4.358  -2.991  -3.517
   32    HG   LEU   6           HG       LEU   6  -2.145  -2.036  -5.535
   33    HB2  LEU   6           2HB      LEU   6  -5.038  -2.838  -5.885
   34    HB3  LEU   6           1HB      LEU   6  -4.423  -1.197  -5.946
   35   HD11  LEU   6          1HD1      LEU   6  -3.452  -4.749  -5.636
   36   HD12  LEU   6          2HD1      LEU   6  -2.668  -4.011  -4.239
   37   HD13  LEU   6          3HD1      LEU   6  -1.714  -4.453  -5.655
   38   HD21  LEU   6          3HD2      LEU   6  -1.832  -3.143  -7.702
   39   HD22  LEU   6          1HD2      LEU   6  -2.898  -1.742  -7.824
   40   HD23  LEU   6          2HD2      LEU   6  -3.576  -3.371  -7.829
   41    H    ALA   7           H        ALA   7  -4.460  -1.102  -1.633
   42    HA   ALA   7           HA       ALA   7  -2.052   0.531  -2.113
   43    HB1  ALA   7           3HB      ALA   7  -2.973   2.339  -1.122
   44    HB2  ALA   7           1HB      ALA   7  -3.899   1.372   0.027
   45    HB3  ALA   7           2HB      ALA   7  -4.477   1.571  -1.628
   46    H    TRP   8           H        TRP   8  -1.858  -2.091  -1.277
   47    HA   TRP   8           HA       TRP   8  -1.048  -1.799   1.551
   48    HD1  TRP   8           HD       TRP   8  -3.780  -3.532  -1.213
   49    HE1  TRP   8           1HE      TRP   8  -3.508  -5.422  -2.938
   50    HE3  TRP   8           3HE      TRP   8   0.091  -6.057   0.963
   51    HZ2  TRP   8           2HZ      TRP   8  -1.851  -7.674  -3.335
   52    HZ3  TRP   8           3HZ      TRP   8   0.977  -8.056  -0.161
   53    HH2  TRP   8           HH       TRP   8   0.023  -8.847  -2.267
   54    HB2  TRP   8           2HB      TRP   8  -1.413  -4.256   1.754
   55    HB3  TRP   8           1HB      TRP   8  -2.900  -3.371   1.391
   56    H    ILE   9           H        ILE   9  -0.352  -3.083  -1.614
   57    HA   ILE   9           HA       ILE   9   1.982  -4.494  -1.041
   58    HB   ILE   9           HB       ILE   9   0.806  -4.781  -3.128
   59   HG12  ILE   9          2HG1      ILE   9   3.631  -3.755  -3.424
   60   HG13  ILE   9          1HG1      ILE   9   3.129  -5.413  -3.111
   61   HG21  ILE   9          1HG2      ILE   9   0.164  -2.379  -3.381
   62   HG22  ILE   9          2HG2      ILE   9   0.739  -3.148  -4.859
   63   HG23  ILE   9          3HG2      ILE   9   1.800  -2.065  -3.958
   64   HD11  ILE   9          3HD1      ILE   9   3.571  -4.172  -5.597
   65   HD12  ILE   9          1HD1      ILE   9   1.845  -4.517  -5.479
   66   HD13  ILE   9          2HD1      ILE   9   3.021  -5.817  -5.274
   67    HA   PRO  10           HA       PRO  10   4.127  -0.113  -2.368
   68    HB2  PRO  10           2HB      PRO  10   3.037   1.585  -0.366
   69    HB3  PRO  10           1HB      PRO  10   2.851   1.740  -2.114
   70    HG2  PRO  10           2HG      PRO  10   1.036   0.482  -0.116
   71    HG3  PRO  10           1HG      PRO  10   0.634   1.370  -1.600
   72    HD2  PRO  10           2HD      PRO  10   0.399  -1.260  -1.530
   73    HD3  PRO  10           1HD      PRO  10   1.102  -0.481  -2.965
   74    H    TYR  11           H        TYR  11   3.018  -1.475   0.641
   75    HA   TYR  11           HA       TYR  11   4.991  -0.566   2.390
   76    HD1  TYR  11           1HD      TYR  11   1.751  -0.929   1.773
   77    HD2  TYR  11           2HD      TYR  11   3.508  -1.911   5.522
   78    HE1  TYR  11           1HE      TYR  11   0.001   0.353   2.921
   79    HE2  TYR  11           2HE      TYR  11   1.759  -0.630   6.681
   80    HH   TYR  11           HH       TYR  11   0.176   1.120   6.265
   81    HB2  TYR  11           2HB      TYR  11   3.362  -3.100   2.306
   82    HB3  TYR  11           1HB      TYR  11   4.478  -2.746   3.622
   83    H    PHE  12           H        PHE  12   4.878  -3.482   0.362
   84    HA   PHE  12           HA       PHE  12   7.467  -4.385   1.149
   85    HD1  PHE  12           1HD      PHE  12   7.215  -6.557   1.910
   86    HD2  PHE  12           2HD      PHE  12   3.806  -6.187  -0.610
   87    HE1  PHE  12           1HE      PHE  12   5.931  -7.986   3.446
   88    HE2  PHE  12           2HE      PHE  12   2.515  -7.614   0.924
   89    HZ   PHE  12           HZ       PHE  12   3.577  -8.516   2.953
   90    HB2  PHE  12           2HB      PHE  12   5.744  -5.142  -1.219
   91    HB3  PHE  12           1HB      PHE  12   7.228  -5.977  -0.749
   92    H    GLY  13           H        GLY  13   6.344  -2.103  -1.187
   93    HA2  GLY  13           2HA      GLY  13   8.639  -0.824  -1.727
   94    HA3  GLY  13           1HA      GLY  13   8.776  -2.227  -2.772
   95    HA   PRO  14           HA       PRO  14   5.342   0.769  -4.402
   96    HB2  PRO  14           2HB      PRO  14   6.032   3.363  -4.241
   97    HB3  PRO  14           1HB      PRO  14   5.182   2.540  -2.924
   98    HG2  PRO  14           2HG      PRO  14   8.095   3.180  -3.195
   99    HG3  PRO  14           1HG      PRO  14   7.044   3.326  -1.774
  100    HD2  PRO  14           2HD      PRO  14   8.754   1.231  -2.187
  101    HD3  PRO  14           1HD      PRO  14   7.263   1.109  -1.236
  102    H    ALA  15           H        ALA  15   5.311   1.436  -6.539
  103    HA   ALA  15           HA       ALA  15   6.069   1.709  -8.667
  104    HB1  ALA  15           3HB      ALA  15   7.811   3.378  -7.012
  105    HB2  ALA  15           1HB      ALA  15   6.961   3.759  -8.509
  106    HB3  ALA  15           2HB      ALA  15   8.513   2.924  -8.565
  107    H    ALA  16           H        ALA  16   8.408   1.504  -9.951
  108    HA   ALA  16           HA       ALA  16   9.930   0.023 -10.765
  109    HB1  ALA  16           3HB      ALA  16  11.242  -1.287  -9.119
  110    HB2  ALA  16           1HB      ALA  16  10.146  -0.728  -7.853
  111    HB3  ALA  16           2HB      ALA  16  11.146   0.430  -8.730
  Start of MODEL   18
    1    H1   GLY   1           1HT      GLY   1  -5.400   6.333  -4.795
    2    H2   GLY   1           2HT      GLY   1  -6.100   4.978  -5.527
    3    H3   GLY   1           3HT      GLY   1  -4.806   5.769  -6.277
    4    HA2  GLY   1           1HA      GLY   1  -3.553   4.180  -5.353
    5    HA3  GLY   1           2HA      GLY   1  -3.699   5.190  -3.921
    6    H    ALA   2           H        ALA   2  -6.416   4.686  -3.337
    7    HA   ALA   2           HA       ALA   2  -6.294   1.834  -2.598
    8    HB1  ALA   2           3HB      ALA   2  -6.938   4.251  -1.022
    9    HB2  ALA   2           1HB      ALA   2  -6.171   2.740  -0.527
   10    HB3  ALA   2           2HB      ALA   2  -7.924   2.820  -0.713
   11    H    ALA   3           H        ALA   3  -7.499   3.003  -4.994
   12    HA   ALA   3           HA       ALA   3 -10.364   2.846  -4.543
   13    HB1  ALA   3           3HB      ALA   3 -10.439   3.231  -7.049
   14    HB2  ALA   3           1HB      ALA   3  -8.689   3.428  -6.970
   15    HB3  ALA   3           2HB      ALA   3  -9.741   4.525  -6.076
   16    H    ILE   4           H        ILE   4  -7.921   1.094  -6.464
   17    HA   ILE   4           HA       ILE   4  -9.773  -0.992  -7.137
   18    HB   ILE   4           HB       ILE   4  -7.845  -1.997  -8.255
   19   HG12  ILE   4          2HG1      ILE   4  -6.309   0.362  -7.168
   20   HG13  ILE   4          1HG1      ILE   4  -6.096  -1.315  -6.678
   21   HG21  ILE   4          1HG2      ILE   4  -7.475  -0.220  -9.918
   22   HG22  ILE   4          2HG2      ILE   4  -8.218   0.933  -8.808
   23   HG23  ILE   4          3HG2      ILE   4  -9.173  -0.394  -9.471
   24   HD11  ILE   4          3HD1      ILE   4  -4.502  -1.422  -8.213
   25   HD12  ILE   4          1HD1      ILE   4  -4.986   0.115  -8.929
   26   HD13  ILE   4          2HD1      ILE   4  -5.785  -1.378  -9.423
   27    H    GLY   5           H        GLY   5  -8.237  -0.309  -4.331
   28    HA2  GLY   5           2HA      GLY   5  -8.095  -1.642  -2.430
   29    HA3  GLY   5           1HA      GLY   5  -8.415  -3.053  -3.428
   30    H    LEU   6           H        LEU   6  -5.953  -0.999  -4.607
   31    HA   LEU   6           HA       LEU   6  -3.930  -2.924  -3.681
   32    HG   LEU   6           HG       LEU   6  -1.594  -1.566  -5.307
   33    HB2  LEU   6           2HB      LEU   6  -4.237  -2.788  -6.116
   34    HB3  LEU   6           1HB      LEU   6  -3.881  -1.073  -6.067
   35   HD11  LEU   6          1HD1      LEU   6  -1.481  -3.527  -4.180
   36   HD12  LEU   6          2HD1      LEU   6  -1.037  -4.133  -5.775
   37   HD13  LEU   6          3HD1      LEU   6  -2.692  -4.310  -5.195
   38   HD21  LEU   6          3HD2      LEU   6  -1.474  -1.314  -7.554
   39   HD22  LEU   6          1HD2      LEU   6  -2.701  -2.541  -7.869
   40   HD23  LEU   6          2HD2      LEU   6  -1.049  -3.024  -7.483
   41    H    ALA   7           H        ALA   7  -4.258  -1.420  -1.686
   42    HA   ALA   7           HA       ALA   7  -2.195   0.678  -1.840
   43    HB1  ALA   7           3HB      ALA   7  -3.980   2.050  -1.542
   44    HB2  ALA   7           1HB      ALA   7  -3.663   1.650   0.147
   45    HB3  ALA   7           2HB      ALA   7  -4.940   0.811  -0.735
   46    H    TRP   8           H        TRP   8  -1.861  -2.067  -1.120
   47    HA   TRP   8           HA       TRP   8  -1.075  -1.759   1.709
   48    HD1  TRP   8           HD       TRP   8  -3.787  -3.547  -1.039
   49    HE1  TRP   8           1HE      TRP   8  -3.510  -5.484  -2.710
   50    HE3  TRP   8           3HE      TRP   8   0.040  -6.042   1.248
   51    HZ2  TRP   8           2HZ      TRP   8  -1.866  -7.759  -3.027
   52    HZ3  TRP   8           3HZ      TRP   8   0.922  -8.076   0.189
   53    HH2  TRP   8           HH       TRP   8  -0.013  -8.917  -1.906
   54    HB2  TRP   8           2HB      TRP   8  -1.443  -4.206   1.966
   55    HB3  TRP   8           1HB      TRP   8  -2.934  -3.337   1.581
   56    H    ILE   9           H        ILE   9  -0.435  -3.121  -1.440
   57    HA   ILE   9           HA       ILE   9   1.928  -4.491  -0.865
   58    HB   ILE   9           HB       ILE   9   0.699  -4.869  -2.913
   59   HG12  ILE   9          2HG1      ILE   9   3.520  -3.856  -3.305
   60   HG13  ILE   9          1HG1      ILE   9   3.025  -5.499  -2.912
   61   HG21  ILE   9          1HG2      ILE   9   0.052  -2.480  -3.252
   62   HG22  ILE   9          2HG2      ILE   9   0.600  -3.309  -4.708
   63   HG23  ILE   9          3HG2      ILE   9   1.676  -2.190  -3.871
   64   HD11  ILE   9          3HD1      ILE   9   3.425  -4.367  -5.457
   65   HD12  ILE   9          1HD1      ILE   9   1.701  -4.704  -5.297
   66   HD13  ILE   9          2HD1      ILE   9   2.878  -5.995  -5.055
   67    HA   PRO  10           HA       PRO  10   3.943  -0.106  -2.430
   68    HB2  PRO  10           2HB      PRO  10   2.932   1.554  -0.333
   69    HB3  PRO  10           1HB      PRO  10   2.705   1.751  -2.072
   70    HG2  PRO  10           2HG      PRO  10   0.925   0.487  -0.062
   71    HG3  PRO  10           1HG      PRO  10   0.506   1.340  -1.560
   72    HD2  PRO  10           2HD      PRO  10   0.294  -1.298  -1.414
   73    HD3  PRO  10           1HD      PRO  10   0.942  -0.540  -2.886
   74    H    TYR  11           H        TYR  11   3.046  -1.414   0.683
   75    HA   TYR  11           HA       TYR  11   5.185  -0.487   2.235
   76    HD1  TYR  11           1HD      TYR  11   1.843  -0.864   1.877
   77    HD2  TYR  11           2HD      TYR  11   3.922  -1.576   5.521
   78    HE1  TYR  11           1HE      TYR  11   0.201   0.511   3.075
   79    HE2  TYR  11           2HE      TYR  11   2.280  -0.203   6.729
   80    HH   TYR  11           HH       TYR  11   0.211   1.893   5.281
   81    HB2  TYR  11           2HB      TYR  11   3.496  -2.981   2.402
   82    HB3  TYR  11           1HB      TYR  11   4.708  -2.573   3.612
   83    H    PHE  12           H        PHE  12   4.786  -3.456   0.335
   84    HA   PHE  12           HA       PHE  12   7.254  -4.632   0.928
   85    HD1  PHE  12           2HD      PHE  12   5.419  -5.212   1.850
   86    HD2  PHE  12           1HD      PHE  12   4.683  -7.335  -1.766
   87    HE1  PHE  12           2HE      PHE  12   3.827  -6.665   3.031
   88    HE2  PHE  12           1HE      PHE  12   3.089  -8.791  -0.588
   89    HZ   PHE  12           HZ       PHE  12   2.660  -8.458   1.813
   90    HB2  PHE  12           2HB      PHE  12   5.608  -4.835  -1.605
   91    HB3  PHE  12           1HB      PHE  12   6.929  -5.919  -1.165
   92    H    GLY  13           H        GLY  13   6.394  -2.097  -1.313
   93    HA2  GLY  13           2HA      GLY  13   8.567  -0.689  -1.612
   94    HA3  GLY  13           1HA      GLY  13   9.093  -2.130  -2.468
   95    HA   PRO  14           HA       PRO  14   7.323  -0.422  -6.130
   96    HB2  PRO  14           2HB      PRO  14   6.837  -2.655  -7.579
   97    HB3  PRO  14           1HB      PRO  14   8.476  -2.053  -7.276
   98    HG2  PRO  14           2HG      PRO  14   6.976  -4.248  -5.894
   99    HG3  PRO  14           1HG      PRO  14   8.667  -4.214  -6.430
  100    HD2  PRO  14           2HD      PRO  14   7.927  -3.777  -3.853
  101    HD3  PRO  14           1HD      PRO  14   9.356  -3.021  -4.586
  102    H    ALA  15           H        ALA  15   5.364   0.500  -5.995
  103    HA   ALA  15           HA       ALA  15   3.017  -1.250  -5.655
  104    HB1  ALA  15           3HB      ALA  15   3.731   1.351  -4.514
  105    HB2  ALA  15           1HB      ALA  15   2.632   0.111  -3.914
  106    HB3  ALA  15           2HB      ALA  15   2.082   1.259  -5.134
  107    H    ALA  16           H        ALA  16   3.394  -1.556  -8.055
  108    HA   ALA  16           HA       ALA  16   1.452  -0.086  -9.492
  109    HB1  ALA  16           3HB      ALA  16   2.610   1.402 -10.729
  110    HB2  ALA  16           1HB      ALA  16   4.039   0.372 -10.827
  111    HB3  ALA  16           2HB      ALA  16   3.739   1.331  -9.377
  Start of MODEL   19
    1    H1   GLY   1           1HT      GLY   1  -6.234  -2.097   2.248
    2    H2   GLY   1           2HT      GLY   1  -4.921  -1.692   1.262
    3    H3   GLY   1           3HT      GLY   1  -5.220  -3.311   1.646
    4    HA2  GLY   1           1HA      GLY   1  -6.120  -1.913  -0.566
    5    HA3  GLY   1           2HA      GLY   1  -6.534  -3.556  -0.098
    6    H    ALA   2           H        ALA   2  -7.330  -0.399   1.344
    7    HA   ALA   2           HA       ALA   2 -10.171  -1.159   1.169
    8    HB1  ALA   2           3HB      ALA   2  -9.094  -0.858   3.459
    9    HB2  ALA   2           1HB      ALA   2 -10.597   0.015   3.157
   10    HB3  ALA   2           2HB      ALA   2  -9.053   0.865   3.085
   11    H    ALA   3           H        ALA   3  -7.895   1.533   0.851
   12    HA   ALA   3           HA       ALA   3  -9.819   3.433  -0.017
   13    HB1  ALA   3           3HB      ALA   3  -7.970   4.530   0.712
   14    HB2  ALA   3           1HB      ALA   3  -7.567   4.464  -1.004
   15    HB3  ALA   3           2HB      ALA   3  -6.863   3.295   0.113
   16    H    ILE   4           H        ILE   4  -7.316   1.641  -1.824
   17    HA   ILE   4           HA       ILE   4  -8.972   1.958  -4.245
   18    HB   ILE   4           HB       ILE   4  -5.960   1.741  -4.073
   19   HG12  ILE   4          2HG1      ILE   4  -6.781   3.928  -3.353
   20   HG13  ILE   4          1HG1      ILE   4  -5.985   4.058  -4.920
   21   HG21  ILE   4          1HG2      ILE   4  -7.878   1.605  -6.331
   22   HG22  ILE   4          2HG2      ILE   4  -6.319   0.808  -6.117
   23   HG23  ILE   4          3HG2      ILE   4  -6.383   2.507  -6.585
   24   HD11  ILE   4          3HD1      ILE   4  -8.713   3.550  -5.402
   25   HD12  ILE   4          1HD1      ILE   4  -7.793   5.015  -5.738
   26   HD13  ILE   4          2HD1      ILE   4  -8.613   4.825  -4.188
   27    H    GLY   5           H        GLY   5  -7.819  -0.233  -1.998
   28    HA2  GLY   5           2HA      GLY   5  -8.226  -2.532  -1.985
   29    HA3  GLY   5           1HA      GLY   5  -8.536  -2.463  -3.716
   30    H    LEU   6           H        LEU   6  -5.877  -0.805  -3.753
   31    HA   LEU   6           HA       LEU   6  -4.052  -3.107  -3.554
   32    HG   LEU   6           HG       LEU   6  -4.655  -4.073  -5.859
   33    HB2  LEU   6           2HB      LEU   6  -4.161  -1.093  -5.802
   34    HB3  LEU   6           1HB      LEU   6  -2.916  -2.311  -5.604
   35   HD11  LEU   6          1HD1      LEU   6  -6.397  -1.738  -5.799
   36   HD12  LEU   6          2HD1      LEU   6  -6.764  -3.439  -5.512
   37   HD13  LEU   6          3HD1      LEU   6  -6.717  -2.812  -7.159
   38   HD21  LEU   6          3HD2      LEU   6  -3.260  -2.924  -7.744
   39   HD22  LEU   6          1HD2      LEU   6  -4.831  -2.303  -8.252
   40   HD23  LEU   6          2HD2      LEU   6  -4.561  -4.044  -8.155
   41    H    ALA   7           H        ALA   7  -4.594  -0.764  -1.807
   42    HA   ALA   7           HA       ALA   7  -2.075   0.715  -2.017
   43    HB1  ALA   7           3HB      ALA   7  -4.006   1.388   0.108
   44    HB2  ALA   7           1HB      ALA   7  -4.537   1.657  -1.552
   45    HB3  ALA   7           2HB      ALA   7  -3.073   2.440  -0.956
   46    H    TRP   8           H        TRP   8  -1.894  -1.972  -1.258
   47    HA   TRP   8           HA       TRP   8  -1.041  -1.718   1.559
   48    HD1  TRP   8           HD       TRP   8  -3.880  -3.451  -1.151
   49    HE1  TRP   8           1HE      TRP   8  -3.636  -5.364  -2.855
   50    HE3  TRP   8           3HE      TRP   8   0.027  -5.950   0.993
   51    HZ2  TRP   8           2HZ      TRP   8  -1.986  -7.621  -3.252
   52    HZ3  TRP   8           3HZ      TRP   8   0.895  -7.962  -0.120
   53    HH2  TRP   8           HH       TRP   8  -0.094  -8.780  -2.200
   54    HB2  TRP   8           2HB      TRP   8  -1.485  -4.150   1.795
   55    HB3  TRP   8           1HB      TRP   8  -2.953  -3.239   1.423
   56    H    ILE   9           H        ILE   9  -0.482  -3.058  -1.614
   57    HA   ILE   9           HA       ILE   9   1.817  -4.535  -1.120
   58    HB   ILE   9           HB       ILE   9   0.598  -4.754  -3.187
   59   HG12  ILE   9          2HG1      ILE   9   3.440  -3.795  -3.557
   60   HG13  ILE   9          1HG1      ILE   9   2.916  -5.441  -3.220
   61   HG21  ILE   9          1HG2      ILE   9   0.527  -3.102  -4.886
   62   HG22  ILE   9          2HG2      ILE   9   1.656  -2.064  -4.016
   63   HG23  ILE   9          3HG2      ILE   9   0.030  -2.324  -3.385
   64   HD11  ILE   9          3HD1      ILE   9   2.713  -5.852  -5.378
   65   HD12  ILE   9          1HD1      ILE   9   3.317  -4.231  -5.721
   66   HD13  ILE   9          2HD1      ILE   9   1.582  -4.510  -5.555
   67    HA   PRO  10           HA       PRO  10   4.125  -0.237  -2.400
   68    HB2  PRO  10           2HB      PRO  10   3.106   1.511  -0.411
   69    HB3  PRO  10           1HB      PRO  10   2.910   1.661  -2.160
   70    HG2  PRO  10           2HG      PRO  10   1.067   0.481  -0.139
   71    HG3  PRO  10           1HG      PRO  10   0.684   1.389  -1.616
   72    HD2  PRO  10           2HD      PRO  10   0.346  -1.231  -1.552
   73    HD3  PRO  10           1HD      PRO  10   1.064  -0.474  -2.990
   74    H    TYR  11           H        TYR  11   2.891  -1.486   0.622
   75    HA   TYR  11           HA       TYR  11   4.776  -0.709   2.461
   76    HD1  TYR  11           2HD      TYR  11   2.752  -0.010   2.359
   77    HD2  TYR  11           1HD      TYR  11   1.773  -3.683   4.275
   78    HE1  TYR  11           2HE      TYR  11   0.660   0.981   3.181
   79    HE2  TYR  11           1HE      TYR  11  -0.321  -2.699   5.101
   80    HH   TYR  11           HH       TYR  11  -0.945   0.604   5.061
   81    HB2  TYR  11           2HB      TYR  11   3.441  -3.406   2.163
   82    HB3  TYR  11           1HB      TYR  11   4.277  -2.860   3.614
   83    H    PHE  12           H        PHE  12   4.917  -3.483   0.248
   84    HA   PHE  12           HA       PHE  12   7.542  -4.264   1.084
   85    HD1  PHE  12           1HD      PHE  12   7.316  -6.456   1.808
   86    HD2  PHE  12           2HD      PHE  12   4.049  -6.222  -0.909
   87    HE1  PHE  12           1HE      PHE  12   6.030  -7.999   3.227
   88    HE2  PHE  12           2HE      PHE  12   2.757  -7.766   0.505
   89    HZ   PHE  12           HZ       PHE  12   3.747  -8.655   2.576
   90    HB2  PHE  12           2HB      PHE  12   5.947  -5.041  -1.368
   91    HB3  PHE  12           1HB      PHE  12   7.447  -5.813  -0.846
   92    H    GLY  13           H        GLY  13   6.237  -2.152  -1.365
   93    HA2  GLY  13           2HA      GLY  13   8.985  -1.662  -2.337
   94    HA3  GLY  13           1HA      GLY  13   7.556  -1.511  -3.349
   95    HA   PRO  14           HA       PRO  14   7.318   2.263  -0.371
   96    HB2  PRO  14           2HB      PRO  14   9.358   2.675   1.359
   97    HB3  PRO  14           1HB      PRO  14   7.952   1.675   1.761
   98    HG2  PRO  14           2HG      PRO  14  10.679   0.835   0.847
   99    HG3  PRO  14           1HG      PRO  14   9.665   0.141   2.127
  100    HD2  PRO  14           2HD      PRO  14   9.859  -0.953  -0.349
  101    HD3  PRO  14           1HD      PRO  14   8.387  -1.061   0.636
  102    H    ALA  15           H        ALA  15   7.781   4.140  -1.341
  103    HA   ALA  15           HA       ALA  15  10.186   4.341  -2.953
  104    HB1  ALA  15           3HB      ALA  15   8.953   6.676  -3.404
  105    HB2  ALA  15           1HB      ALA  15   7.576   5.724  -2.849
  106    HB3  ALA  15           2HB      ALA  15   8.522   5.182  -4.236
  107    H    ALA  16           H        ALA  16  11.984   5.288  -2.275
  108    HA   ALA  16           HA       ALA  16  13.449   6.577  -1.103
  109    HB1  ALA  16           3HB      ALA  16  11.006   8.322  -0.983
  110    HB2  ALA  16           1HB      ALA  16  12.421   8.485  -2.022
  111    HB3  ALA  16           2HB      ALA  16  12.555   8.810  -0.295
  Start of MODEL   20
    1    H1   GLY   1           1HT      GLY   1  -6.443   1.396   2.477
    2    H2   GLY   1           2HT      GLY   1  -6.373   0.949   0.847
    3    H3   GLY   1           3HT      GLY   1  -5.118   0.519   1.897
    4    HA2  GLY   1           1HA      GLY   1  -6.315  -1.442   1.676
    5    HA3  GLY   1           2HA      GLY   1  -6.851  -0.764   3.207
    6    H    ALA   2           H        ALA   2  -8.402   1.351   1.834
    7    HA   ALA   2           HA       ALA   2 -10.514  -0.223   0.549
    8    HB1  ALA   2           3HB      ALA   2 -12.135   1.231   1.993
    9    HB2  ALA   2           1HB      ALA   2 -10.754   1.330   3.086
   10    HB3  ALA   2           2HB      ALA   2 -11.431  -0.242   2.659
   11    H    ALA   3           H        ALA   3  -8.559   1.697  -0.448
   12    HA   ALA   3           HA       ALA   3 -10.382   3.843  -1.330
   13    HB1  ALA   3           3HB      ALA   3  -7.533   3.877  -0.542
   14    HB2  ALA   3           1HB      ALA   3  -8.780   5.110  -0.355
   15    HB3  ALA   3           2HB      ALA   3  -7.987   4.887  -1.914
   16    H    ILE   4           H        ILE   4  -7.563   1.922  -2.376
   17    HA   ILE   4           HA       ILE   4  -8.588   2.092  -5.135
   18    HB   ILE   4           HB       ILE   4  -5.729   1.734  -4.224
   19   HG12  ILE   4          2HG1      ILE   4  -6.539   4.015  -3.890
   20   HG13  ILE   4          1HG1      ILE   4  -5.384   3.963  -5.220
   21   HG21  ILE   4          1HG2      ILE   4  -5.596   0.674  -6.216
   22   HG22  ILE   4          2HG2      ILE   4  -5.545   2.322  -6.839
   23   HG23  ILE   4          3HG2      ILE   4  -7.065   1.428  -6.838
   24   HD11  ILE   4          3HD1      ILE   4  -6.873   4.946  -6.516
   25   HD12  ILE   4          1HD1      ILE   4  -8.054   4.923  -5.207
   26   HD13  ILE   4          2HD1      ILE   4  -7.944   3.559  -6.321
   27    H    GLY   5           H        GLY   5  -8.000   0.029  -2.520
   28    HA2  GLY   5           2HA      GLY   5  -8.413  -2.240  -2.350
   29    HA3  GLY   5           1HA      GLY   5  -8.707  -2.281  -4.082
   30    H    LEU   6           H        LEU   6  -5.833  -0.725  -3.715
   31    HA   LEU   6           HA       LEU   6  -4.219  -3.161  -3.535
   32    HG   LEU   6           HG       LEU   6  -1.852  -2.186  -5.397
   33    HB2  LEU   6           2HB      LEU   6  -4.761  -2.821  -5.921
   34    HB3  LEU   6           1HB      LEU   6  -4.062  -1.216  -5.840
   35   HD11  LEU   6          1HD1      LEU   6  -1.753  -4.744  -5.888
   36   HD12  LEU   6          2HD1      LEU   6  -3.429  -4.717  -5.341
   37   HD13  LEU   6          3HD1      LEU   6  -2.143  -4.169  -4.266
   38   HD21  LEU   6          3HD2      LEU   6  -2.719  -3.744  -7.745
   39   HD22  LEU   6          1HD2      LEU   6  -1.424  -2.558  -7.580
   40   HD23  LEU   6          2HD2      LEU   6  -3.092  -2.021  -7.771
   41    H    ALA   7           H        ALA   7  -4.672  -0.723  -1.891
   42    HA   ALA   7           HA       ALA   7  -2.072   0.608  -2.048
   43    HB1  ALA   7           3HB      ALA   7  -4.683   1.253  -0.792
   44    HB2  ALA   7           1HB      ALA   7  -3.598   2.270  -1.740
   45    HB3  ALA   7           2HB      ALA   7  -3.220   1.908  -0.055
   46    H    TRP   8           H        TRP   8  -1.781  -1.980  -1.336
   47    HA   TRP   8           HA       TRP   8  -1.122  -1.814   1.537
   48    HD1  TRP   8           HD       TRP   8  -3.722  -3.466  -1.404
   49    HE1  TRP   8           1HE      TRP   8  -3.373  -5.325  -3.150
   50    HE3  TRP   8           3HE      TRP   8   0.008  -6.068   0.923
   51    HZ2  TRP   8           2HZ      TRP   8  -1.715  -7.584  -3.504
   52    HZ3  TRP   8           3HZ      TRP   8   0.938  -8.053  -0.192
   53    HH2  TRP   8           HH       TRP   8   0.090  -8.794  -2.360
   54    HB2  TRP   8           2HB      TRP   8  -1.507  -4.266   1.664
   55    HB3  TRP   8           1HB      TRP   8  -2.979  -3.375   1.253
   56    H    ILE   9           H        ILE   9  -0.347  -3.016  -1.645
   57    HA   ILE   9           HA       ILE   9   1.985  -4.427  -1.035
   58    HB   ILE   9           HB       ILE   9   0.849  -4.707  -3.149
   59   HG12  ILE   9          2HG1      ILE   9   3.680  -3.674  -3.374
   60   HG13  ILE   9          1HG1      ILE   9   3.174  -5.335  -3.079
   61   HG21  ILE   9          1HG2      ILE   9   1.864  -1.989  -3.949
   62   HG22  ILE   9          2HG2      ILE   9   0.218  -2.296  -3.393
   63   HG23  ILE   9          3HG2      ILE   9   0.807  -3.066  -4.865
   64   HD11  ILE   9          3HD1      ILE   9   3.119  -5.731  -5.248
   65   HD12  ILE   9          1HD1      ILE   9   3.676  -4.085  -5.547
   66   HD13  ILE   9          2HD1      ILE   9   1.947  -4.431  -5.476
   67    HA   PRO  10           HA       PRO  10   4.090   0.007  -2.299
   68    HB2  PRO  10           2HB      PRO  10   2.988   1.597  -0.199
   69    HB3  PRO  10           1HB      PRO  10   2.836   1.853  -1.938
   70    HG2  PRO  10           2HG      PRO  10   0.969   0.520  -0.051
   71    HG3  PRO  10           1HG      PRO  10   0.613   1.438  -1.528
   72    HD2  PRO  10           2HD      PRO  10   0.388  -1.201  -1.501
   73    HD3  PRO  10           1HD      PRO  10   1.099  -0.388  -2.911
   74    H    TYR  11           H        TYR  11   3.034  -1.439   0.696
   75    HA   TYR  11           HA       TYR  11   5.082  -0.582   2.402
   76    HD1  TYR  11           1HD      TYR  11   1.768  -0.929   1.848
   77    HD2  TYR  11           2HD      TYR  11   3.644  -1.816   5.563
   78    HE1  TYR  11           1HE      TYR  11   0.065   0.396   3.016
   79    HE2  TYR  11           2HE      TYR  11   1.941  -0.492   6.742
   80    HH   TYR  11           HH       TYR  11   0.360   1.272   6.315
   81    HB2  TYR  11           2HB      TYR  11   3.385  -3.075   2.363
   82    HB3  TYR  11           1HB      TYR  11   4.531  -2.728   3.655
   83    H    PHE  12           H        PHE  12   4.796  -3.458   0.345
   84    HA   PHE  12           HA       PHE  12   7.418  -4.417   1.018
   85    HD1  PHE  12           1HD      PHE  12   7.063  -6.510   1.968
   86    HD2  PHE  12           2HD      PHE  12   3.586  -6.193  -0.466
   87    HE1  PHE  12           1HE      PHE  12   5.786  -7.797   3.631
   88    HE2  PHE  12           2HE      PHE  12   2.302  -7.478   1.192
   89    HZ   PHE  12           HZ       PHE  12   3.403  -8.282   3.246
   90    HB2  PHE  12           2HB      PHE  12   5.529  -5.245  -1.197
   91    HB3  PHE  12           1HB      PHE  12   6.998  -6.107  -0.735
   92    H    GLY  13           H        GLY  13   6.105  -2.264  -1.351
   93    HA2  GLY  13           2HA      GLY  13   7.997  -2.484  -3.395
   94    HA3  GLY  13           1HA      GLY  13   7.093  -1.028  -3.014
   95    HA   PRO  14           HA       PRO  14  11.076   0.736  -2.099
   96    HB2  PRO  14           2HB      PRO  14  10.211   2.968  -0.782
   97    HB3  PRO  14           1HB      PRO  14  10.190   2.803  -2.545
   98    HG2  PRO  14           2HG      PRO  14   7.963   2.424  -0.578
   99    HG3  PRO  14           1HG      PRO  14   7.940   3.242  -2.153
  100    HD2  PRO  14           2HD      PRO  14   6.989   0.742  -1.831
  101    HD3  PRO  14           1HD      PRO  14   7.801   1.253  -3.325
  102    H    ALA  15           H        ALA  15  12.102   1.853  -0.068
  103    HA   ALA  15           HA       ALA  15  11.764  -0.020   2.127
  104    HB1  ALA  15           3HB      ALA  15  13.909   0.426   2.689
  105    HB2  ALA  15           1HB      ALA  15  13.760   2.147   2.334
  106    HB3  ALA  15           2HB      ALA  15  13.984   0.993   1.020
  107    H    ALA  16           H        ALA  16   9.689   0.775   2.833
  108    HA   ALA  16           HA       ALA  16   9.920   3.233   4.443
  109    HB1  ALA  16           3HB      ALA  16   7.941   4.040   3.717
  110    HB2  ALA  16           1HB      ALA  16   7.220   2.438   3.560
  111    HB3  ALA  16           2HB      ALA  16   8.301   3.046   2.304