*HEADER    STRUCTURAL PROTEIN                      18-MAY-05   1ZPX              
*TITLE     NMR STRUCTURE OF MCOL1-[13-33] FROM HYDRA                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MINI-COLLAGEN;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HYDRA SP.           
*KEYWDS    CYSTEINE-RICH PEPTIDE                                                 
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    A.G.MILBRADT, C.BOULEGUE, L.MORODER, C.RENNER                         
*REVDAT   1   15-NOV-05 1ZPX    0                                                


!BIOSYM restraint 1
!
#remote_prochiral_center
!
#NOE_distance
1:ALA_12:HB* 1:PRO_2:HB*  1.000 4.800   2.800 50 50 1000
1:ALA_12:HB* 1:PRO_2:HD*  1.000 6.800 4.800 50 50 1000
1:CYS_7:HB* 1:CYS_3:HB*  1.000 4.100 2.300 50 50 1000
1:PRO_2:HA 1:CYS_3:HN         1.000   3.400   3.400   50.00   50.00   1000.0   
1:PRO_2:HB* 1:CYS_3:HN         1.000   4.300   3.400   50.00   50.00   1000.0
1:PRO_2:HG* 1:CYS_3:HN         1.000   4.900   4.000   50.00   50.00   1000.0
1:GLY_4:HN 1:CYS_3:HN  1.000 2.300 2.300 50.0 50.00 1000.0
1:SER_9:HA 1:CYS_3:HN  1.000 4.000 4.000 50 50 1000
1:ALA_12:HB* 1:CYS_3:HN  1.000 5.900 4.800 50 50 1000
1:PRO_2:HG* 1:GLY_4:HN  1.000 4.900   4.000   50.00   50.00   1000.0
1:CYS_3:HA 1:GLY_4:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:CYS_3:HB* 1:GLY_4:HN  1.000 4.900 4.000 50.0 50.00 1000.0
1:SER_5:HN 1:GLY_4:HN  1.000 4.000 4.000 50.0 50.00 1000.0
1:GLY_4:HA* 1:SER_5:HN  1.000 3.200 2.300 50.0 50.00 1000.0
1:TYR_6:HN 1:SER_5:HN  1.000 2.800 2.800 50.0 50.00 1000.0
1:SER_5:HB* 1:TYR_6:HD*  1.000 6.500 3.400 50.0 50.00 1000.0
1:TYR_6:HA 1:TYR_6:HD*  1.000 5.000 2.800 50.0 50.00 1000.0
1:TYR_6:HA 1:TYR_6:HE*  1.000 6.200 4.000 50.0 50.00 1000.0
1:TYR_6:HN 1:TYR_6:HD*  1.000 5.000 2.800 50.0 50.00 1000.0
1:CYS_7:HB* 1:TYR_6:HD*  1.000 7.900 4.800 50.0 50.00 1000.0
1:CYS_20:HB* 1:TYR_6:HD*  1.000 7.900 4.800 50.0 50.00 1000.0
1:CYS_20:HB* 1:TYR_6:HE*  1.000 6.500 3.400 50.0 50.00 1000.0
1:TYR_6:HN 1:TYR_6:HE*  1.000 5.600 3.400 50.0 50.00 1000.0
1:ALA_14:HB* 1:TYR_6:HE*  1.000 7.300 4.000 50.0 50.00 1000.0
1:ALA_16:HB* 1:TYR_6:HE*  1.000 7.300 4.000 50.0 50.00 1000.0
1:GLY_4:HA* 1:TYR_6:HN  1.000 4.900 4.000 50.0 50.00 1000.0
1:SER_5:HA 1:TYR_6:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:SER_5:HB* 1:TYR_6:HN  1.000 4.900 4.000 50.0 50.00 1000.0
1:CYS_7:HN 1:TYR_6:HN  1.000 2.800 2.800 50.0 50.00 1000.0
1:PRO_8:HD* 1:CYS_7:HA  1.000 3.200 2.300 50 50 1000
1:CYS_20:HA 1:CYS_7:HA  1.000 3.400 3.400 50 50 1000
1:SER_5:HA 1:CYS_7:HN  1.000 4.000 4.000 50 50 1000
1:TYR_6:HA 1:CYS_7:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:TYR_6:HB* 1:CYS_7:HN  1.000 4.900 4.000 50.0 50.00 1000.0
1:CYS_7:HB* 1:PRO_8:HD*  1.000 5.800 4.000 50 50 1000
1:CYS_20:HA 1:PRO_8:HD*  1.000 3.700 2.800 50 50 1000
1:PRO_8:HA 1:SER_9:HN  1.000 2.300 2.300 50 50 1000
1:PRO_8:HB* 1:SER_9:HN  1.000 4.300 3.400 50 50 1000
1:VAL_10:HG* 1:SER_9:HN  1.000 7.000 3.400 50 50 1000
1:VAL_10:HN 1:SER_9:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:PRO_8:HA 1:VAL_10:HN  1.000 3.400 3.400 50 50 1000
1:PRO_8:HB* 1:VAL_10:HN  1.000 4.300 3.400 50 50 1000
1:SER_9:HA 1:VAL_10:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:SER_9:HB* 1:VAL_10:HN  1.000 4.300 3.400 50.0 50.00 1000.0
1:PRO_8:HB* 1:CYS_11:HN  1.000 4.300 3.400 50.0 50.00 1000.0
1:SER_9:HA 1:CYS_11:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:SER_9:HB* 1:CYS_11:HN  1.000 5.700 4.800 50.0 50.0 1000.0
1:VAL_10:HA 1:CYS_11:HN  1.000 3.400 3.400 50.0 50.0 1000.0
1:VAL_10:HB 1:CYS_11:HN  1.000 4.000 4.000 50.0 50.0 1000.0
1:VAL_10:HG* 1:CYS_11:HN  1.000 5.400 2.800 50.0 50.0 1000.0
1:ALA_12:HN 1:CYS_11:HN  1.000 2.800 2.800 50.0 50.00 1000.0
1:PRO_13:HA 1:ALA_12:HA  1.000 2.800 2.800 50.0 50.00 1000.0
1:PRO_13:HA 1:ALA_12:HB*  1.000 3.400 2.300 50.0 50.00 1000.0
1:SER_9:HA 1:ALA_12:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:SER_9:HB* 1:ALA_12:HN  1.000 4.300 3.400 50.0 50.00 1000.0
1:VAL_10:HA 1:ALA_12:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:CYS_11:HA 1:ALA_12:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:CYS_11:HB* 1:ALA_12:HN  1.000 4.300 3.400 50.0 50.00 1000.0
1:PRO_13:HA 1:ALA_12:HN  1.000 4.300 4.000 50.0 50.00 1000.0
1:ALA_12:HB* 1:PRO_13:HD*  1.000 6.800 4.800 50.0 50.00 1000.0
1:ALA_14:HB* 1:PRO_13:HD*  1.000 6.000 4.000 50.0 50.00 1000.0
1:ALA_16:HA 1:ALA_14:HB*  1.000 5.100 4.000 50.0 50.00 1000.0
1:ALA_16:HB* 1:ALA_14:HB*  1.000 5.000 2.800 50.0 50.00 1000.0
1:ALA_12:HA 1:ALA_14:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:ALA_12:HB* 1:ALA_14:HN  1.000 5.900 4.800 50.0 50.00 1000.0
1:PRO_13:HA 1:ALA_14:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:PRO_13:HD* 1:ALA_14:HN  1.000 3.700 2.800 50.0 50.00 1000.0
1:PRO_13:HG* 1:ALA_14:HN  1.000 4.300 3.400 50.0 50.00 1000.0
1:CYS_15:HN 1:ALA_14:HN  1.000 2.800 2.800 50.0 50.00 1000.0
1:SER_9:HA 1:CYS_15:HA  1.000 4.000 4.000 50.0 50.00 1000.0
1:SER_9:HB* 1:CYS_15:HA  1.000 4.900 4.000 50.0 50.00 1000.0
1:ALA_16:HB* 1:CYS_15:HA  1.000 5.100 4.000 50.0 50.00 1000.0
1:CYS_3:HA 1:CYS_15:HB*  1.000 4.900 4.000 50.0 50.00 1000.0
1:CYS_7:HB* 1:CYS_15:HN  1.000 4.600 3.400 50.0 50.00 1000.0
1:ALA_12:HA 1:CYS_15:HN  1.000 2.800 2.800 50.0 50.00 1000.0
1:ALA_12:HB* 1:CYS_15:HN  1.000 5.100 4.000 50.0 50.00 1000.0
1:PRO_13:HA 1:CYS_15:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:ALA_14:HA 1:CYS_15:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:ALA_14:HB* 1:CYS_15:HN  1.000 3.900 2.800 50.0 50.00 1000.0
1:ALA_16:HN 1:CYS_15:HN  1.000 2.800 2.800 50.0 50.00 1000.0
1:PRO_17:HD* 1:ALA_16:HA  1.000 3.200 2.300 50.0 50.00 1000.0
1:PRO_17:HD* 1:ALA_16:HB*  1.000 4.800 2.800 50.0 50.00 1000.0
1:CYS_19:HB* 1:ALA_16:HB*  1.000 5.400 3.400 50.0 50.00 1000.0
1:CYS_7:HB* 1:ALA_16:HN  1.000 4.300 3.400 50.0 50.00 1000.0
1:ALA_14:HB* 1:ALA_16:HN  1.000 4.500 3.400 50.0 50.00 1000.0
!1:ALA_14:HN 1:ALA_16:HN  1.000 4.000 4.000 50.0 50.00 1000.0
1:CYS_15:HA 1:ALA_16:HN  1.000 2.800 2.800 50.0 50.00 1000.0
1:CYS_15:HB* 1:ALA_16:HN  1.000 5.700 4.800 50.0 50.00 1000.0
1:CYS_19:HB* 1:ALA_16:HN  1.000 4.300 3.400 50.0 50.00 1000.0
1:CYS_19:HN 1:ALA_16:HN  1.000 4.000 4.000 50.0 50.00 1000.0
1:CYS_20:HN 1:ALA_16:HN  1.000 4.800 4.800 50.0 50.00 1000.0
1:CYS_20:HB* 1:PRO_17:HA  1.000 3.700 2.800 50.0 50.00 1000.0
1:ALA_16:HB* 1:VAL_18:HN  1.000 3.900 2.800 50.0 50.00 1000.0
1:PRO_17:HA 1:VAL_18:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:PRO_17:HB* 1:VAL_18:HN  1.000 4.300 3.400 50.0 50.00 1000.0
1:PRO_17:HG* 1:VAL_18:HN  1.000 4.900 4.000 50.0 50.00 1000.0
1:CYS_19:HN 1:VAL_18:HN  1.000 2.800 2.800 50.0 50.00 1000.0
1:CYS_20:HN 1:VAL_18:HN  1.000 4.000 4.000 50.0 50.00 1000.0
1:ALA_16:HB* 1:CYS_19:HN  1.000 4.500 3.400 50.0 50.00 1000.0
1:PRO_17:HA 1:CYS_19:HN  1.000 4.800 4.800 50.0 50.00 1000.0
1:VAL_18:HA 1:CYS_19:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:VAL_18:HB 1:CYS_19:HN  1.000 4.000 4.000 50.0 50.00 1000.0
1:CYS_20:HN 1:CYS_19:HN  1.000 2.300 2.300 50.0 50.00 1000.0
1:CYS_7:HB* 1:CYS_20:HA  1.000 4.900 4.000 50.0 50.00 1000.0
1:PRO_22:HD* 1:CYS_20:HA  1.000 4.900 4.000 50.0 50.00 1000.0
1:CYS_7:HB* 1:CYS_20:HN  1.000 4.900 4.000 50.0 50.00 1000.0
1:ALA_16:HB* 1:CYS_20:HN  1.000 5.100 4.000 50.0 50.00 1000.0
1:VAL_18:HA 1:CYS_20:HN  1.000 4.000 4.000 50.0 50.00 1000.0
1:CYS_19:HA 1:CYS_20:HN  1.000 3.400 3.400 50.0 50.00 1000.0
1:CYS_19:HB* 1:CYS_20:HN  1.000 4.300 3.400 50.0 50.00 1000.0
1:PRO_22:HD* 1:TYR_21:HA  1.000 3.200 2.300 50.0 50.00 1000.0
1:CYS_20:HA 1:TYR_21:HN  1.000 4.000 4.000 50.0 50.00 1000.0
1:CYS_20:HB* 1:TYR_21:HN  1.000 4.300 3.400 50.0 50.00 1000.0
1:PRO_17:HA 1:TYR_21:HD*  1.000 4.000 2.800 50.0 50.00 1000.0
1:PRO_17:HB* 1:TYR_21:HD*  1.000 6.500 3.400 50.0 50.00 1000.0
1:TYR_6:HB* 1:TYR_21:HE*  1.000 7.900 4.800 50.0 50.00 1000.0
1:PRO_17:HA 1:TYR_21:HE*  1.000 6.200 4.000 50.0 50.00 1000.0
1:PRO_17:HB* 1:TYR_21:HE*  1.000 7.100 4.000 50.0 50.00 1000.0
1:CYS_20:HB* 1:TYR_21:HE*  1.000 6.500 3.400 50.0 50.00 1000.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE  12          1H        ACE  12  -7.323  -2.915  -0.021
    2   2H    ACE  12          2H        ACE  12  -7.467  -4.612  -0.525
    3   3H    ACE  12          3H        ACE  12  -6.473  -3.490  -1.483
    4    HA   PRO  13           HA       PRO  13  -6.691  -1.492  -2.732
    5   1HB   PRO  13          1HB       PRO  13  -7.728   0.906  -3.623
    6   2HB   PRO  13          2HB       PRO  13  -7.697  -0.565  -4.598
    7   1HG   PRO  13          1HG       PRO  13 -10.040   0.504  -2.934
    8   2HG   PRO  13          2HG       PRO  13 -10.055   0.022  -4.650
    9   1HD   PRO  13          1HD       PRO  13 -10.855  -1.717  -2.652
   10   2HD   PRO  13          2HD       PRO  13  -9.987  -2.328  -4.091
   11    H    CYS  14           H        CYS  14  -5.975   0.915  -2.042
   12    HA   CYS  14           HA       CYS  14  -5.844   0.560   0.912
   13   1HB   CYS  14          1HB       CYS  14  -4.353   2.657  -0.781
   14   2HB   CYS  14          2HB       CYS  14  -3.933   2.052   0.833
   15    H    GLY  15           H        GLY  15  -6.859   3.016  -1.273
   16   1HA   GLY  15          1HA       GLY  15  -8.310   5.034  -0.788
   17   2HA   GLY  15          2HA       GLY  15  -8.173   4.729   0.935
   18    H    SER  16           H        SER  16  -5.910   4.983   1.836
   19    HA   SER  16           HA       SER  16  -4.290   7.150   0.456
   20   1HB   SER  16          1HB       SER  16  -5.362   7.309   3.365
   21   2HB   SER  16          2HB       SER  16  -4.192   8.440   2.686
   22    HG   SER  16           HG       SER  16  -6.307   9.209   2.539
   23    H    TYR  17           H        TYR  17  -4.112   4.544   2.731
   24    HA   TYR  17           HA       TYR  17  -1.456   5.444   3.718
   25   1HB   TYR  17          1HB       TYR  17  -1.456   4.001   5.368
   26   2HB   TYR  17          2HB       TYR  17  -3.149   4.146   5.135
   27    HD1  TYR  17           HD1      TYR  17  -4.308   2.134   3.671
   28    HD2  TYR  17           HD2      TYR  17  -0.437   1.879   5.527
   29    HE1  TYR  17           HE1      TYR  17  -4.460  -0.371   3.744
   30    HE2  TYR  17           HE2      TYR  17  -0.629  -0.609   5.553
   31    HH   TYR  17           HH       TYR  17  -3.588  -2.217   4.458
   32    H    CYS  18           H        CYS  18  -2.151   3.725   0.884
   33    HA   CYS  18           HA       CYS  18   0.747   3.022   0.494
   34   1HB   CYS  18          1HB       CYS  18  -1.291   0.674   0.368
   35   2HB   CYS  18          2HB       CYS  18   0.412   0.537   0.048
   36    HA   PRO  19           HA       PRO  19  -0.540   3.349  -4.063
   37   1HB   PRO  19          1HB       PRO  19   1.775   1.439  -4.453
   38   2HB   PRO  19          2HB       PRO  19   1.420   2.967  -5.272
   39   1HG   PRO  19          1HG       PRO  19   3.414   2.819  -3.406
   40   2HG   PRO  19          2HG       PRO  19   2.374   4.258  -3.486
   41   1HD   PRO  19          1HD       PRO  19   2.150   1.895  -1.536
   42   2HD   PRO  19          2HD       PRO  19   2.057   3.652  -1.200
   43    H    SER  20           H        SER  20  -2.386   2.292  -4.273
   44    HA   SER  20           HA       SER  20  -2.645  -0.666  -3.761
   45   1HB   SER  20          1HB       SER  20  -4.874  -0.517  -3.908
   46   2HB   SER  20          2HB       SER  20  -4.343   0.902  -3.031
   47    HG   SER  20           HG       SER  20  -5.923   1.424  -4.560
   48    H    VAL  21           H        VAL  21  -1.195   0.640  -6.138
   49    HA   VAL  21           HA       VAL  21  -1.947  -1.449  -8.209
   50    HB   VAL  21           HB       VAL  21   0.211  -0.993  -9.371
   51   1HG1  VAL  21          1HG1      VAL  21  -1.489   1.545  -9.018
   52   2HG1  VAL  21          2HG1      VAL  21  -0.407   1.174 -10.380
   53   3HG1  VAL  21          3HG1      VAL  21  -1.855   0.183 -10.104
   54   1HG2  VAL  21          1HG2      VAL  21   0.675   1.335  -7.399
   55   2HG2  VAL  21          2HG2      VAL  21   1.647  -0.153  -7.500
   56   3HG2  VAL  21          3HG2      VAL  21   1.626   0.980  -8.861
   57    H    CYS  22           H        CYS  22   0.041  -1.247  -5.418
   58    HA   CYS  22           HA       CYS  22   1.102  -4.055  -5.634
   59   1HB   CYS  22          1HB       CYS  22   0.835  -2.216  -3.166
   60   2HB   CYS  22          2HB       CYS  22   1.770  -3.709  -3.253
   61    H    ALA  23           H        ALA  23  -2.092  -2.935  -5.094
   62    HA   ALA  23           HA       ALA  23  -3.004  -4.156  -2.902
   63   1HB   ALA  23          1HB       ALA  23  -4.419  -3.812  -5.645
   64   2HB   ALA  23          2HB       ALA  23  -5.305  -4.124  -4.149
   65   3HB   ALA  23          3HB       ALA  23  -4.352  -2.655  -4.289
   66    HA   PRO  24           HA       PRO  24  -4.798  -4.923  -2.190
   67   1HB   PRO  24          1HB       PRO  24  -6.831  -6.673  -1.467
   68   2HB   PRO  24          2HB       PRO  24  -6.610  -6.327  -3.185
   69   1HG   PRO  24          1HG       PRO  24  -5.552  -8.737  -1.591
   70   2HG   PRO  24          2HG       PRO  24  -6.423  -8.759  -3.150
   71   1HD   PRO  24          1HD       PRO  24  -3.561  -8.755  -2.785
   72   2HD   PRO  24          2HD       PRO  24  -4.402  -8.404  -4.324
   73    H    ALA  25           H        ALA  25  -2.463  -6.522  -1.163
   74    HA   ALA  25           HA       ALA  25  -2.996  -6.492   1.738
   75   1HB   ALA  25          1HB       ALA  25  -0.974  -7.642   0.916
   76   2HB   ALA  25          2HB       ALA  25  -0.338  -6.092   0.280
   77   3HB   ALA  25          3HB       ALA  25  -0.527  -6.335   2.039
   78    H    CYS  26           H        CYS  26  -1.896  -3.907  -0.429
   79    HA   CYS  26           HA       CYS  26  -1.366  -1.695  -0.109
   80   1HB   CYS  26          1HB       CYS  26  -3.427  -1.924   2.171
   81   2HB   CYS  26          2HB       CYS  26  -2.637  -0.415   1.712
   82    H    ALA  27           H        ALA  27   0.746  -2.968   0.392
   83    HA   ALA  27           HA       ALA  27   1.067  -3.858   3.177
   84   1HB   ALA  27          1HB       ALA  27   2.810  -4.222   0.673
   85   2HB   ALA  27          2HB       ALA  27   2.936  -5.158   2.199
   86   3HB   ALA  27          3HB       ALA  27   1.470  -5.265   1.202
   87    HA   PRO  28           HA       PRO  28   3.935  -0.561   4.690
   88   1HB   PRO  28          1HB       PRO  28   5.291  -2.957   6.038
   89   2HB   PRO  28          2HB       PRO  28   4.986  -1.340   6.708
   90   1HG   PRO  28          1HG       PRO  28   3.278  -3.343   7.326
   91   2HG   PRO  28          2HG       PRO  28   2.604  -1.757   6.886
   92   1HD   PRO  28          1HD       PRO  28   2.768  -4.273   5.147
   93   2HD   PRO  28          2HD       PRO  28   1.458  -3.059   5.269
   94    H    VAL  29           H        VAL  29   5.299  -3.252   3.024
   95    HA   VAL  29           HA       VAL  29   7.839  -1.795   2.396
   96    HB   VAL  29           HB       VAL  29   8.483  -3.648   0.864
   97   1HG1  VAL  29          1HG1      VAL  29   7.847  -4.626   3.709
   98   2HG1  VAL  29          2HG1      VAL  29   9.062  -5.300   2.591
   99   3HG1  VAL  29          3HG1      VAL  29   9.262  -3.654   3.222
  100   1HG2  VAL  29          1HG2      VAL  29   5.972  -5.155   1.832
  101   2HG2  VAL  29          2HG2      VAL  29   6.250  -4.546   0.182
  102   3HG2  VAL  29          3HG2      VAL  29   7.290  -5.823   0.836
  103    H    CYS  30           H        CYS  30   4.819  -2.265   0.701
  104    HA   CYS  30           HA       CYS  30   5.776  -0.666  -1.676
  105   1HB   CYS  30          1HB       CYS  30   4.060  -2.501  -1.913
  106   2HB   CYS  30          2HB       CYS  30   2.940  -1.587  -0.891
  107    H    CYS  31           H        CYS  31   4.284  -0.123   1.382
  108    HA   CYS  31           HA       CYS  31   3.121   2.579   0.809
  109   1HB   CYS  31          1HB       CYS  31   3.683   1.518   3.633
  110   2HB   CYS  31          2HB       CYS  31   2.466   2.684   3.143
  111    H    TYR  32           H        TYR  32   6.042   1.481   2.587
  112    HA   TYR  32           HA       TYR  32   6.801   4.413   3.097
  113   1HB   TYR  32          1HB       TYR  32   7.487   2.045   4.901
  114   2HB   TYR  32          2HB       TYR  32   7.687   3.741   5.235
  115    HD1  TYR  32           HD1      TYR  32   5.732   1.027   6.114
  116    HD2  TYR  32           HD2      TYR  32   5.181   5.113   4.867
  117    HE1  TYR  32           HE1      TYR  32   3.483   1.030   7.086
  118    HE2  TYR  32           HE2      TYR  32   2.929   5.093   5.846
  119    HH   TYR  32           HH       TYR  32   1.380   3.901   6.900
  120    HA   PRO  33           HA       PRO  33  10.329   2.514   0.628
  121   1HB   PRO  33          1HB       PRO  33  10.950   4.669  -1.007
  122   2HB   PRO  33          2HB       PRO  33   9.607   3.553  -1.297
  123   1HG   PRO  33          1HG       PRO  33   9.473   6.305   0.039
  124   2HG   PRO  33          2HG       PRO  33   8.438   5.664  -1.260
  125   1HD   PRO  33          1HD       PRO  33   7.645   5.608   1.384
  126   2HD   PRO  33          2HD       PRO  33   7.199   4.288   0.266
  127   1HN   NH2  34          1HN       NH2  34  12.277   2.352   1.630
  128   2HN   NH2  34          2HN       NH2  34  13.175   3.719   2.457
  Start of MODEL    2
    1   1H    ACE  12          1H        ACE  12  -7.309  -4.643  -0.627
    2   2H    ACE  12          2H        ACE  12  -6.361  -3.443  -1.537
    3   3H    ACE  12          3H        ACE  12  -7.176  -2.978  -0.018
    4    HA   PRO  13           HA       PRO  13  -6.620  -1.454  -2.719
    5   1HB   PRO  13          1HB       PRO  13  -7.674   0.940  -3.580
    6   2HB   PRO  13          2HB       PRO  13  -7.691  -0.532  -4.556
    7   1HG   PRO  13          1HG       PRO  13  -9.968   0.551  -2.799
    8   2HG   PRO  13          2HG       PRO  13 -10.051   0.089  -4.518
    9   1HD   PRO  13          1HD       PRO  13 -10.784  -1.664  -2.503
   10   2HD   PRO  13          2HD       PRO  13  -9.988  -2.265  -3.989
   11    H    CYS  14           H        CYS  14  -5.977   1.017  -2.040
   12    HA   CYS  14           HA       CYS  14  -5.665   0.563   0.888
   13   1HB   CYS  14          1HB       CYS  14  -4.312   2.732  -0.829
   14   2HB   CYS  14          2HB       CYS  14  -3.796   2.108   0.746
   15    H    GLY  15           H        GLY  15  -6.827   3.084  -1.142
   16   1HA   GLY  15          1HA       GLY  15  -8.233   5.105  -0.461
   17   2HA   GLY  15          2HA       GLY  15  -7.924   4.750   1.230
   18    H    SER  16           H        SER  16  -5.582   4.922   1.906
   19    HA   SER  16           HA       SER  16  -3.963   6.973   0.378
   20   1HB   SER  16          1HB       SER  16  -4.866   7.344   3.324
   21   2HB   SER  16          2HB       SER  16  -3.678   8.370   2.524
   22    HG   SER  16           HG       SER  16  -5.748   9.250   2.462
   23    H    TYR  17           H        TYR  17  -3.803   4.506   2.788
   24    HA   TYR  17           HA       TYR  17  -1.072   5.264   3.606
   25   1HB   TYR  17          1HB       TYR  17  -1.009   3.758   5.223
   26   2HB   TYR  17          2HB       TYR  17  -2.703   4.050   5.118
   27    HD1  TYR  17           HD1      TYR  17  -0.267   1.559   5.455
   28    HD2  TYR  17           HD2      TYR  17  -4.057   2.183   3.515
   29    HE1  TYR  17           HE1      TYR  17  -0.680  -0.890   5.451
   30    HE2  TYR  17           HE2      TYR  17  -4.429  -0.289   3.532
   31    HH   TYR  17           HH       TYR  17  -3.723  -2.225   4.210
   32    H    CYS  18           H        CYS  18  -2.015   3.435   0.905
   33    HA   CYS  18           HA       CYS  18   0.876   2.844   0.254
   34   1HB   CYS  18          1HB       CYS  18  -1.119   0.574   0.655
   35   2HB   CYS  18          2HB       CYS  18  -0.203   0.457  -0.823
   36    HA   PRO  19           HA       PRO  19  -0.661   3.415  -4.244
   37   1HB   PRO  19          1HB       PRO  19   1.695   1.542  -4.621
   38   2HB   PRO  19          2HB       PRO  19   1.256   3.000  -5.524
   39   1HG   PRO  19          1HG       PRO  19   3.323   3.054  -3.744
   40   2HG   PRO  19          2HG       PRO  19   2.207   4.441  -3.839
   41   1HD   PRO  19          1HD       PRO  19   2.173   2.148  -1.788
   42   2HD   PRO  19          2HD       PRO  19   2.031   3.911  -1.506
   43    H    SER  20           H        SER  20  -2.470   2.301  -4.409
   44    HA   SER  20           HA       SER  20  -2.681  -0.629  -3.759
   45   1HB   SER  20          1HB       SER  20  -4.934  -0.527  -4.108
   46   2HB   SER  20          2HB       SER  20  -4.449   0.872  -3.165
   47    HG   SER  20           HG       SER  20  -4.529   2.113  -5.112
   48    H    VAL  21           H        VAL  21  -1.111   0.503  -6.102
   49    HA   VAL  21           HA       VAL  21  -1.811  -1.631  -8.148
   50    HB   VAL  21           HB       VAL  21   0.787   0.008  -7.957
   51   1HG1  VAL  21          1HG1      VAL  21   1.308  -0.795 -10.279
   52   2HG1  VAL  21          2HG1      VAL  21   1.251  -2.142  -9.139
   53   3HG1  VAL  21          3HG1      VAL  21  -0.117  -1.869 -10.245
   54   1HG2  VAL  21          1HG2      VAL  21  -1.119   1.488  -8.642
   55   2HG2  VAL  21          2HG2      VAL  21  -0.020   1.237 -10.005
   56   3HG2  VAL  21          3HG2      VAL  21  -1.565   0.354  -9.940
   57    H    CYS  22           H        CYS  22   0.107  -1.353  -5.296
   58    HA   CYS  22           HA       CYS  22   1.064  -4.216  -5.332
   59   1HB   CYS  22          1HB       CYS  22   0.915  -2.259  -2.949
   60   2HB   CYS  22          2HB       CYS  22   1.785  -3.797  -2.997
   61    H    ALA  23           H        ALA  23  -2.119  -3.026  -5.000
   62    HA   ALA  23           HA       ALA  23  -3.130  -4.249  -2.800
   63   1HB   ALA  23          1HB       ALA  23  -4.382  -2.682  -4.221
   64   2HB   ALA  23          2HB       ALA  23  -4.419  -3.825  -5.592
   65   3HB   ALA  23          3HB       ALA  23  -5.363  -4.137  -4.125
   66    HA   PRO  24           HA       PRO  24  -4.921  -5.084  -2.203
   67   1HB   PRO  24          1HB       PRO  24  -6.841  -6.936  -1.426
   68   2HB   PRO  24          2HB       PRO  24  -6.698  -6.533  -3.143
   69   1HG   PRO  24          1HG       PRO  24  -5.492  -8.944  -1.674
   70   2HG   PRO  24          2HG       PRO  24  -6.415  -8.950  -3.201
   71   1HD   PRO  24          1HD       PRO  24  -3.552  -8.850  -2.928
   72   2HD   PRO  24          2HD       PRO  24  -4.447  -8.457  -4.431
   73    H    ALA  25           H        ALA  25  -2.479  -6.633  -1.274
   74    HA   ALA  25           HA       ALA  25  -2.848  -6.612   1.650
   75   1HB   ALA  25          1HB       ALA  25  -0.820  -7.642   0.672
   76   2HB   ALA  25          2HB       ALA  25  -0.309  -6.050   0.030
   77   3HB   ALA  25          3HB       ALA  25  -0.376  -6.328   1.793
   78    H    CYS  26           H        CYS  26  -1.958  -4.031  -0.604
   79    HA   CYS  26           HA       CYS  26  -1.457  -1.793  -0.342
   80   1HB   CYS  26          1HB       CYS  26  -3.606  -2.029   1.842
   81   2HB   CYS  26          2HB       CYS  26  -2.758  -0.517   1.515
   82    H    ALA  27           H        ALA  27   0.643  -3.010   0.176
   83    HA   ALA  27           HA       ALA  27   0.940  -3.970   2.881
   84   1HB   ALA  27          1HB       ALA  27   2.985  -5.039   1.964
   85   2HB   ALA  27          2HB       ALA  27   1.630  -5.162   0.816
   86   3HB   ALA  27          3HB       ALA  27   2.927  -3.971   0.526
   87    HA   PRO  28           HA       PRO  28   3.836  -0.931   4.948
   88   1HB   PRO  28          1HB       PRO  28   5.255  -3.526   5.746
   89   2HB   PRO  28          2HB       PRO  28   4.925  -2.087   6.738
   90   1HG   PRO  28          1HG       PRO  28   3.310  -4.256   6.980
   91   2HG   PRO  28          2HG       PRO  28   2.561  -2.644   6.899
   92   1HD   PRO  28          1HD       PRO  28   2.811  -4.716   4.652
   93   2HD   PRO  28          2HD       PRO  28   1.413  -3.682   5.092
   94    H    VAL  29           H        VAL  29   4.912  -3.100   2.521
   95    HA   VAL  29           HA       VAL  29   7.580  -1.735   2.258
   96    HB   VAL  29           HB       VAL  29   6.515  -4.048   0.552
   97   1HG1  VAL  29          1HG1      VAL  29   9.374  -2.870   0.604
   98   2HG1  VAL  29          2HG1      VAL  29   8.874  -4.336  -0.277
   99   3HG1  VAL  29          3HG1      VAL  29   8.223  -2.762  -0.742
  100   1HG2  VAL  29          1HG2      VAL  29   8.610  -4.169   2.830
  101   2HG2  VAL  29          2HG2      VAL  29   6.977  -4.867   2.874
  102   3HG2  VAL  29          3HG2      VAL  29   8.173  -5.517   1.748
  103    H    CYS  30           H        CYS  30   4.586  -1.840   0.447
  104    HA   CYS  30           HA       CYS  30   5.613   0.231  -1.514
  105   1HB   CYS  30          1HB       CYS  30   2.739  -0.797  -1.193
  106   2HB   CYS  30          2HB       CYS  30   3.339   0.298  -2.452
  107    H    CYS  31           H        CYS  31   4.017   0.135   1.515
  108    HA   CYS  31           HA       CYS  31   3.085   3.005   1.574
  109   1HB   CYS  31          1HB       CYS  31   3.417   1.084   3.960
  110   2HB   CYS  31          2HB       CYS  31   2.569   2.623   3.983
  111    H    TYR  32           H        TYR  32   5.757   1.131   3.089
  112    HA   TYR  32           HA       TYR  32   7.158   3.753   3.870
  113   1HB   TYR  32          1HB       TYR  32   7.325   1.214   5.557
  114   2HB   TYR  32          2HB       TYR  32   7.812   2.828   5.973
  115    HD1  TYR  32           HD1      TYR  32   5.701   4.643   5.922
  116    HD2  TYR  32           HD2      TYR  32   5.296   0.395   6.462
  117    HE1  TYR  32           HE1      TYR  32   3.460   4.971   6.877
  118    HE2  TYR  32           HE2      TYR  32   3.062   0.730   7.412
  119    HH   TYR  32           HH       TYR  32   1.651   3.991   7.718
  120    HA   PRO  33           HA       PRO  33   9.862   1.025   1.145
  121   1HB   PRO  33          1HB       PRO  33  10.935   2.936  -0.556
  122   2HB   PRO  33          2HB       PRO  33   9.300   2.273  -0.707
  123   1HG   PRO  33          1HG       PRO  33  10.118   4.909   0.619
  124   2HG   PRO  33          2HG       PRO  33   8.825   4.643  -0.575
  125   1HD   PRO  33          1HD       PRO  33   8.302   4.756   2.144
  126   2HD   PRO  33          2HD       PRO  33   7.371   3.672   1.070
  127   1HN   NH2  34          1HN       NH2  34  13.059   1.307   2.751
  128   2HN   NH2  34          2HN       NH2  34  11.707   0.281   2.047
  Start of MODEL    3
    1   1H    ACE  12          1H        ACE  12  -8.600  -2.978  -1.454
    2   2H    ACE  12          2H        ACE  12  -9.101  -4.488  -2.252
    3   3H    ACE  12          3H        ACE  12  -7.672  -3.612  -2.843
    4    HA   PRO  13           HA       PRO  13  -7.172  -1.334  -3.400
    5   1HB   PRO  13          1HB       PRO  13  -7.407   1.322  -4.078
    6   2HB   PRO  13          2HB       PRO  13  -7.420   0.023  -5.288
    7   1HG   PRO  13          1HG       PRO  13  -9.827   1.444  -4.034
    8   2HG   PRO  13          2HG       PRO  13  -9.480   1.225  -5.768
    9   1HD   PRO  13          1HD       PRO  13 -11.152  -0.518  -4.364
   10   2HD   PRO  13          2HD       PRO  13 -10.112  -1.116  -5.691
   11    H    CYS  14           H        CYS  14  -6.136   0.128  -1.955
   12    HA   CYS  14           HA       CYS  14  -7.602   0.633   0.642
   13   1HB   CYS  14          1HB       CYS  14  -4.644   0.733   0.078
   14   2HB   CYS  14          2HB       CYS  14  -5.415   1.016   1.647
   15    H    GLY  15           H        GLY  15  -5.950   2.434  -1.821
   16   1HA   GLY  15          1HA       GLY  15  -5.892   4.779  -2.322
   17   2HA   GLY  15          2HA       GLY  15  -7.080   5.057  -1.058
   18    H    SER  16           H        SER  16  -6.267   5.173   1.115
   19    HA   SER  16           HA       SER  16  -4.172   7.244   1.009
   20   1HB   SER  16          1HB       SER  16  -6.020   6.488   3.357
   21   2HB   SER  16          2HB       SER  16  -4.972   7.909   3.310
   22    HG   SER  16           HG       SER  16  -6.062   8.574   1.424
   23    H    TYR  17           H        TYR  17  -4.126   4.160   2.594
   24    HA   TYR  17           HA       TYR  17  -1.579   4.988   4.053
   25   1HB   TYR  17          1HB       TYR  17  -1.808   3.574   5.677
   26   2HB   TYR  17          2HB       TYR  17  -3.482   3.668   5.301
   27    HD1  TYR  17           HD1      TYR  17  -4.532   1.676   3.888
   28    HD2  TYR  17           HD2      TYR  17  -0.597   1.496   5.625
   29    HE1  TYR  17           HE1      TYR  17  -4.572  -0.796   3.779
   30    HE2  TYR  17           HE2      TYR  17  -0.664  -0.964   5.502
   31    HH   TYR  17           HH       TYR  17  -3.548  -2.671   4.319
   32    H    CYS  18           H        CYS  18  -2.277   3.659   1.055
   33    HA   CYS  18           HA       CYS  18   0.562   2.954   0.665
   34   1HB   CYS  18          1HB       CYS  18  -1.008   0.644   1.421
   35   2HB   CYS  18          2HB       CYS  18  -0.820   0.453  -0.313
   36    HA   PRO  19           HA       PRO  19  -0.562   3.400  -3.953
   37   1HB   PRO  19          1HB       PRO  19   1.863   1.579  -4.103
   38   2HB   PRO  19          2HB       PRO  19   1.461   3.016  -5.058
   39   1HG   PRO  19          1HG       PRO  19   3.348   3.154  -3.104
   40   2HG   PRO  19          2HG       PRO  19   2.196   4.497  -3.298
   41   1HD   PRO  19          1HD       PRO  19   2.068   2.200  -1.258
   42   2HD   PRO  19          2HD       PRO  19   1.836   3.958  -0.989
   43    H    SER  20           H        SER  20  -2.376   2.317  -4.035
   44    HA   SER  20           HA       SER  20  -2.575  -0.667  -3.624
   45   1HB   SER  20          1HB       SER  20  -4.941  -0.369  -3.880
   46   2HB   SER  20          2HB       SER  20  -4.274   0.756  -2.697
   47    HG   SER  20           HG       SER  20  -4.301   2.360  -4.343
   48    H    VAL  21           H        VAL  21  -1.114   0.559  -5.883
   49    HA   VAL  21           HA       VAL  21  -2.026  -1.377  -8.043
   50    HB   VAL  21           HB       VAL  21   0.670   0.093  -7.865
   51   1HG1  VAL  21          1HG1      VAL  21   1.045  -0.593 -10.261
   52   2HG1  VAL  21          2HG1      VAL  21   0.971  -1.996  -9.192
   53   3HG1  VAL  21          3HG1      VAL  21  -0.429  -1.596 -10.212
   54   1HG2  VAL  21          1HG2      VAL  21  -1.177   1.716  -8.379
   55   2HG2  VAL  21          2HG2      VAL  21  -0.136   1.498  -9.790
   56   3HG2  VAL  21          3HG2      VAL  21  -1.729   0.701  -9.727
   57    H    CYS  22           H        CYS  22   0.035  -1.370  -5.273
   58    HA   CYS  22           HA       CYS  22   0.886  -4.250  -5.491
   59   1HB   CYS  22          1HB       CYS  22   0.801  -2.446  -2.989
   60   2HB   CYS  22          2HB       CYS  22   1.646  -3.990  -3.150
   61    H    ALA  23           H        ALA  23  -2.240  -2.980  -5.000
   62    HA   ALA  23           HA       ALA  23  -3.220  -4.102  -2.787
   63   1HB   ALA  23          1HB       ALA  23  -4.608  -3.717  -5.540
   64   2HB   ALA  23          2HB       ALA  23  -5.505  -3.939  -4.027
   65   3HB   ALA  23          3HB       ALA  23  -4.461  -2.535  -4.212
   66    HA   PRO  24           HA       PRO  24  -4.998  -4.779  -2.009
   67   1HB   PRO  24          1HB       PRO  24  -6.996  -6.430  -1.052
   68   2HB   PRO  24          2HB       PRO  24  -6.941  -6.084  -2.786
   69   1HG   PRO  24          1HG       PRO  24  -5.868  -8.567  -1.337
   70   2HG   PRO  24          2HG       PRO  24  -6.887  -8.513  -2.796
   71   1HD   PRO  24          1HD       PRO  24  -4.010  -8.675  -2.730
   72   2HD   PRO  24          2HD       PRO  24  -4.974  -8.234  -4.168
   73    H    ALA  25           H        ALA  25  -2.627  -6.577  -1.180
   74    HA   ALA  25           HA       ALA  25  -2.868  -6.538   1.753
   75   1HB   ALA  25          1HB       ALA  25  -0.313  -6.267   0.077
   76   2HB   ALA  25          2HB       ALA  25  -0.390  -6.591   1.827
   77   3HB   ALA  25          3HB       ALA  25  -1.015  -7.800   0.681
   78    H    CYS  26           H        CYS  26  -1.888  -4.019  -0.533
   79    HA   CYS  26           HA       CYS  26  -1.245  -1.847  -0.316
   80   1HB   CYS  26          1HB       CYS  26  -3.201  -1.813   2.058
   81   2HB   CYS  26          2HB       CYS  26  -2.796  -0.442   1.029
   82    H    ALA  27           H        ALA  27   0.764  -3.086   0.271
   83    HA   ALA  27           HA       ALA  27   1.124  -3.797   3.038
   84   1HB   ALA  27          1HB       ALA  27   1.717  -5.227   1.105
   85   2HB   ALA  27          2HB       ALA  27   3.046  -4.123   0.650
   86   3HB   ALA  27          3HB       ALA  27   3.112  -5.029   2.190
   87    HA   PRO  28           HA       PRO  28   4.061  -0.597   4.741
   88   1HB   PRO  28          1HB       PRO  28   5.473  -3.117   5.780
   89   2HB   PRO  28          2HB       PRO  28   5.174  -1.585   6.629
   90   1HG   PRO  28          1HG       PRO  28   3.537  -3.684   7.111
   91   2HG   PRO  28          2HG       PRO  28   2.810  -2.075   6.861
   92   1HD   PRO  28          1HD       PRO  28   2.988  -4.385   4.856
   93   2HD   PRO  28          2HD       PRO  28   1.625  -3.270   5.190
   94    H    VAL  29           H        VAL  29   5.144  -2.947   2.494
   95    HA   VAL  29           HA       VAL  29   7.732  -1.456   2.084
   96    HB   VAL  29           HB       VAL  29   6.898  -4.087   0.734
   97   1HG1  VAL  29          1HG1      VAL  29   9.262  -4.273  -0.097
   98   2HG1  VAL  29          2HG1      VAL  29   8.467  -2.843  -0.768
   99   3HG1  VAL  29          3HG1      VAL  29   9.637  -2.658   0.558
  100   1HG2  VAL  29          1HG2      VAL  29   9.017  -3.665   2.951
  101   2HG2  VAL  29          2HG2      VAL  29   7.457  -4.491   3.146
  102   3HG2  VAL  29          3HG2      VAL  29   8.697  -5.199   2.102
  103    H    CYS  30           H        CYS  30   4.699  -1.885   0.414
  104    HA   CYS  30           HA       CYS  30   5.570   0.018  -1.768
  105   1HB   CYS  30          1HB       CYS  30   2.749  -1.007  -1.112
  106   2HB   CYS  30          2HB       CYS  30   3.174   0.088  -2.442
  107    H    CYS  31           H        CYS  31   4.014   0.132   1.312
  108    HA   CYS  31           HA       CYS  31   3.241   3.021   1.213
  109   1HB   CYS  31          1HB       CYS  31   3.567   1.571   3.883
  110   2HB   CYS  31          2HB       CYS  31   2.484   2.887   3.457
  111    H    TYR  32           H        TYR  32   5.918   1.242   2.790
  112    HA   TYR  32           HA       TYR  32   7.382   3.896   3.328
  113   1HB   TYR  32          1HB       TYR  32   7.644   1.485   5.184
  114   2HB   TYR  32          2HB       TYR  32   8.159   3.125   5.439
  115    HD1  TYR  32           HD1      TYR  32   6.080   4.945   5.409
  116    HD2  TYR  32           HD2      TYR  32   5.636   0.747   6.234
  117    HE1  TYR  32           HE1      TYR  32   3.915   5.378   6.496
  118    HE2  TYR  32           HE2      TYR  32   3.479   1.184   7.297
  119    HH   TYR  32           HH       TYR  32   2.147   4.488   7.505
  120    HA   PRO  33           HA       PRO  33   9.871   0.961   0.630
  121   1HB   PRO  33          1HB       PRO  33  10.908   2.743  -1.216
  122   2HB   PRO  33          2HB       PRO  33   9.245   2.135  -1.247
  123   1HG   PRO  33          1HG       PRO  33  10.232   4.797  -0.112
  124   2HG   PRO  33          2HG       PRO  33   8.858   4.517  -1.213
  125   1HD   PRO  33          1HD       PRO  33   8.503   4.793   1.518
  126   2HD   PRO  33          2HD       PRO  33   7.469   3.689   0.555
  127   1HN   NH2  34          1HN       NH2  34  11.744   0.192   1.455
  128   2HN   NH2  34          2HN       NH2  34  13.166   1.197   2.032
  Start of MODEL    4
    1   1H    ACE  12          1H        ACE  12  -7.817  -2.917  -0.937
    2   2H    ACE  12          2H        ACE  12  -8.400  -4.502  -1.491
    3   3H    ACE  12          3H        ACE  12  -7.188  -3.625  -2.452
    4    HA   PRO  13           HA       PRO  13  -6.948  -1.380  -3.297
    5   1HB   PRO  13          1HB       PRO  13  -7.487   1.188  -4.120
    6   2HB   PRO  13          2HB       PRO  13  -7.673  -0.221  -5.166
    7   1HG   PRO  13          1HG       PRO  13  -9.867   1.211  -3.566
    8   2HG   PRO  13          2HG       PRO  13  -9.875   0.808  -5.303
    9   1HD   PRO  13          1HD       PRO  13 -11.088  -0.828  -3.407
   10   2HD   PRO  13          2HD       PRO  13 -10.313  -1.512  -4.870
   11    H    CYS  14           H        CYS  14  -6.026   0.982  -2.448
   12    HA   CYS  14           HA       CYS  14  -6.092   0.474   0.497
   13   1HB   CYS  14          1HB       CYS  14  -4.229   2.327  -1.118
   14   2HB   CYS  14          2HB       CYS  14  -3.992   1.769   0.548
   15    H    GLY  15           H        GLY  15  -6.478   3.171  -1.623
   16   1HA   GLY  15          1HA       GLY  15  -7.644   5.352  -1.211
   17   2HA   GLY  15          2HA       GLY  15  -7.967   4.872   0.448
   18    H    SER  16           H        SER  16  -6.288   4.992   1.945
   19    HA   SER  16           HA       SER  16  -4.380   7.276   1.418
   20   1HB   SER  16          1HB       SER  16  -4.311   7.510   3.958
   21   2HB   SER  16          2HB       SER  16  -5.942   7.691   3.290
   22    HG   SER  16           HG       SER  16  -5.880   6.367   5.106
   23    H    TYR  17           H        TYR  17  -4.129   4.124   2.816
   24    HA   TYR  17           HA       TYR  17  -1.396   4.982   3.801
   25   1HB   TYR  17          1HB       TYR  17  -1.501   3.699   5.551
   26   2HB   TYR  17          2HB       TYR  17  -3.195   3.836   5.301
   27    HD1  TYR  17           HD1      TYR  17  -4.412   1.790   4.068
   28    HD2  TYR  17           HD2      TYR  17  -0.415   1.626   5.609
   29    HE1  TYR  17           HE1      TYR  17  -4.499  -0.722   4.101
   30    HE2  TYR  17           HE2      TYR  17  -0.521  -0.873   5.630
   31    HH   TYR  17           HH       TYR  17  -1.788  -2.642   5.310
   32    H    CYS  18           H        CYS  18  -2.039   3.895   0.927
   33    HA   CYS  18           HA       CYS  18   0.706   2.994   0.478
   34   1HB   CYS  18          1HB       CYS  18  -0.905   0.688   1.229
   35   2HB   CYS  18          2HB       CYS  18  -0.623   0.491  -0.493
   36    HA   PRO  19           HA       PRO  19  -0.416   3.345  -4.151
   37   1HB   PRO  19          1HB       PRO  19   1.927   1.424  -4.293
   38   2HB   PRO  19          2HB       PRO  19   1.577   2.865  -5.263
   39   1HG   PRO  19          1HG       PRO  19   3.494   2.936  -3.319
   40   2HG   PRO  19          2HG       PRO  19   2.411   4.332  -3.533
   41   1HD   PRO  19          1HD       PRO  19   2.177   2.075  -1.451
   42   2HD   PRO  19          2HD       PRO  19   2.039   3.844  -1.206
   43    H    SER  20           H        SER  20  -2.230   2.306  -4.386
   44    HA   SER  20           HA       SER  20  -2.561  -0.628  -3.783
   45   1HB   SER  20          1HB       SER  20  -4.810  -0.390  -4.084
   46   2HB   SER  20          2HB       SER  20  -4.257   1.021  -3.198
   47    HG   SER  20           HG       SER  20  -4.284   2.193  -5.185
   48    H    VAL  21           H        VAL  21  -0.924   0.477  -6.079
   49    HA   VAL  21           HA       VAL  21  -1.704  -1.604  -8.151
   50    HB   VAL  21           HB       VAL  21   0.968  -0.089  -7.916
   51   1HG1  VAL  21          1HG1      VAL  21   1.373  -2.243  -9.100
   52   2HG1  VAL  21          2HG1      VAL  21   0.019  -1.926 -10.213
   53   3HG1  VAL  21          3HG1      VAL  21   1.477  -0.899 -10.242
   54   1HG2  VAL  21          1HG2      VAL  21  -1.348   0.374  -9.925
   55   2HG2  VAL  21          2HG2      VAL  21  -0.865   1.475  -8.613
   56   3HG2  VAL  21          3HG2      VAL  21   0.239   1.185  -9.965
   57    H    CYS  22           H        CYS  22   0.181  -1.459  -5.271
   58    HA   CYS  22           HA       CYS  22   0.976  -4.374  -5.355
   59   1HB   CYS  22          1HB       CYS  22   0.972  -2.441  -2.950
   60   2HB   CYS  22          2HB       CYS  22   1.762  -4.020  -3.042
   61    H    ALA  23           H        ALA  23  -2.134  -3.015  -5.020
   62    HA   ALA  23           HA       ALA  23  -3.199  -4.093  -2.809
   63   1HB   ALA  23          1HB       ALA  23  -4.491  -3.758  -5.610
   64   2HB   ALA  23          2HB       ALA  23  -5.435  -3.963  -4.123
   65   3HB   ALA  23          3HB       ALA  23  -4.396  -2.553  -4.300
   66    HA   PRO  24           HA       PRO  24  -4.991  -4.804  -2.099
   67   1HB   PRO  24          1HB       PRO  24  -6.970  -6.524  -1.181
   68   2HB   PRO  24          2HB       PRO  24  -6.875  -6.198  -2.918
   69   1HG   PRO  24          1HG       PRO  24  -5.741  -8.611  -1.398
   70   2HG   PRO  24          2HG       PRO  24  -6.735  -8.623  -2.876
   71   1HD   PRO  24          1HD       PRO  24  -3.864  -8.684  -2.758
   72   2HD   PRO  24          2HD       PRO  24  -4.819  -8.270  -4.218
   73    H    ALA  25           H        ALA  25  -2.595  -6.494  -1.162
   74    HA   ALA  25           HA       ALA  25  -2.955  -6.519   1.757
   75   1HB   ALA  25          1HB       ALA  25  -1.024  -7.687   0.757
   76   2HB   ALA  25          2HB       ALA  25  -0.373  -6.135   0.150
   77   3HB   ALA  25          3HB       ALA  25  -0.458  -6.450   1.903
   78    H    CYS  26           H        CYS  26  -2.022  -3.908  -0.419
   79    HA   CYS  26           HA       CYS  26  -1.552  -1.671  -0.128
   80   1HB   CYS  26          1HB       CYS  26  -3.408  -1.986   2.318
   81   2HB   CYS  26          2HB       CYS  26  -2.798  -0.429   1.725
   82    H    ALA  27           H        ALA  27   0.629  -2.877   0.236
   83    HA   ALA  27           HA       ALA  27   1.060  -3.814   2.950
   84   1HB   ALA  27          1HB       ALA  27   2.815  -3.971   0.424
   85   2HB   ALA  27          2HB       ALA  27   2.999  -4.970   1.899
   86   3HB   ALA  27          3HB       ALA  27   1.531  -5.112   0.903
   87    HA   PRO  28           HA       PRO  28   3.922  -0.530   4.633
   88   1HB   PRO  28          1HB       PRO  28   5.276  -3.042   5.749
   89   2HB   PRO  28          2HB       PRO  28   5.018  -1.477   6.555
   90   1HG   PRO  28          1HG       PRO  28   3.307  -3.507   7.071
   91   2HG   PRO  28          2HG       PRO  28   2.635  -1.888   6.776
   92   1HD   PRO  28          1HD       PRO  28   2.742  -4.263   4.844
   93   2HD   PRO  28          2HD       PRO  28   1.426  -3.073   5.105
   94    H    VAL  29           H        VAL  29   5.097  -3.112   2.697
   95    HA   VAL  29           HA       VAL  29   7.682  -1.779   2.127
   96    HB   VAL  29           HB       VAL  29   7.456  -4.298   2.164
   97   1HG1  VAL  29          1HG1      VAL  29   5.355  -4.606   0.841
   98   2HG1  VAL  29          2HG1      VAL  29   6.210  -4.104  -0.638
   99   3HG1  VAL  29          3HG1      VAL  29   6.697  -5.587   0.219
  100   1HG2  VAL  29          1HG2      VAL  29   8.741  -3.204  -0.402
  101   2HG2  VAL  29          2HG2      VAL  29   9.493  -3.235   1.211
  102   3HG2  VAL  29          3HG2      VAL  29   9.106  -4.761   0.385
  103    H    CYS  30           H        CYS  30   4.668  -1.939   0.398
  104    HA   CYS  30           HA       CYS  30   5.741  -0.059  -1.729
  105   1HB   CYS  30          1HB       CYS  30   2.846  -0.952  -1.253
  106   2HB   CYS  30          2HB       CYS  30   3.415   0.085  -2.574
  107    H    CYS  31           H        CYS  31   4.135   0.141   1.304
  108    HA   CYS  31           HA       CYS  31   3.228   2.956   1.076
  109   1HB   CYS  31          1HB       CYS  31   3.663   1.586   3.783
  110   2HB   CYS  31          2HB       CYS  31   2.548   2.887   3.382
  111    H    TYR  32           H        TYR  32   6.076   1.569   2.743
  112    HA   TYR  32           HA       TYR  32   6.978   4.401   3.510
  113   1HB   TYR  32          1HB       TYR  32   7.569   1.858   5.098
  114   2HB   TYR  32          2HB       TYR  32   7.860   3.506   5.574
  115    HD1  TYR  32           HD1      TYR  32   5.742   0.814   6.177
  116    HD2  TYR  32           HD2      TYR  32   5.460   5.039   5.417
  117    HE1  TYR  32           HE1      TYR  32   3.497   0.849   7.167
  118    HE2  TYR  32           HE2      TYR  32   3.218   5.061   6.422
  119    HH   TYR  32           HH       TYR  32   1.598   3.856   7.336
  120    HA   PRO  33           HA       PRO  33  10.358   2.551   0.816
  121   1HB   PRO  33          1HB       PRO  33  11.079   4.790  -0.639
  122   2HB   PRO  33          2HB       PRO  33   9.651   3.801  -0.975
  123   1HG   PRO  33          1HG       PRO  33   9.753   6.414   0.617
  124   2HG   PRO  33          2HG       PRO  33   8.646   5.992  -0.709
  125   1HD   PRO  33          1HD       PRO  33   7.902   5.730   1.932
  126   2HD   PRO  33          2HD       PRO  33   7.340   4.553   0.710
  127   1HN   NH2  34          1HN       NH2  34  13.302   3.395   2.684
  128   2HN   NH2  34          2HN       NH2  34  12.297   2.170   1.762
  Start of MODEL    5
    1   1H    ACE  12          1H        ACE  12  -6.745  -4.015  -1.359
    2   2H    ACE  12          2H        ACE  12  -7.982  -3.337  -0.264
    3   3H    ACE  12          3H        ACE  12  -8.086  -5.035  -0.788
    4    HA   PRO  13           HA       PRO  13  -6.413  -1.979  -2.506
    5   1HB   PRO  13          1HB       PRO  13  -6.921   0.461  -3.703
    6   2HB   PRO  13          2HB       PRO  13  -6.641  -1.027  -4.624
    7   1HG   PRO  13          1HG       PRO  13  -9.323   0.217  -3.838
    8   2HG   PRO  13          2HG       PRO  13  -8.785  -0.246  -5.472
    9   1HD   PRO  13          1HD       PRO  13 -10.341  -1.958  -3.930
   10   2HD   PRO  13          2HD       PRO  13  -9.057  -2.618  -4.989
   11    H    CYS  14           H        CYS  14  -5.663  -0.204  -1.235
   12    HA   CYS  14           HA       CYS  14  -7.564   0.632   1.005
   13   1HB   CYS  14          1HB       CYS  14  -4.505   0.821   0.896
   14   2HB   CYS  14          2HB       CYS  14  -5.479   1.296   2.277
   15    H    GLY  15           H        GLY  15  -5.782   2.079  -1.582
   16   1HA   GLY  15          1HA       GLY  15  -5.648   4.352  -2.331
   17   2HA   GLY  15          2HA       GLY  15  -6.930   4.755  -1.197
   18    H    SER  16           H        SER  16  -6.202   5.017   1.104
   19    HA   SER  16           HA       SER  16  -4.278   7.223   0.905
   20   1HB   SER  16          1HB       SER  16  -6.016   6.381   3.309
   21   2HB   SER  16          2HB       SER  16  -5.093   7.884   3.210
   22    HG   SER  16           HG       SER  16  -7.113   7.068   1.405
   23    H    TYR  17           H        TYR  17  -3.959   4.214   2.592
   24    HA   TYR  17           HA       TYR  17  -1.362   5.253   3.821
   25   1HB   TYR  17          1HB       TYR  17  -1.345   3.972   5.558
   26   2HB   TYR  17          2HB       TYR  17  -3.053   4.037   5.375
   27    HD1  TYR  17           HD1      TYR  17  -4.293   1.921   4.533
   28    HD2  TYR  17           HD2      TYR  17  -0.060   1.895   5.311
   29    HE1  TYR  17           HE1      TYR  17  -4.317  -0.539   4.680
   30    HE2  TYR  17           HE2      TYR  17  -0.104  -0.564   5.415
   31    HH   TYR  17           HH       TYR  17  -3.144  -2.370   5.067
   32    H    CYS  18           H        CYS  18  -2.228   3.727   0.999
   33    HA   CYS  18           HA       CYS  18   0.615   2.949   0.528
   34   1HB   CYS  18          1HB       CYS  18  -1.068   0.717   1.266
   35   2HB   CYS  18          2HB       CYS  18  -0.935   0.556  -0.483
   36    HA   PRO  19           HA       PRO  19  -0.683   3.599  -4.028
   37   1HB   PRO  19          1HB       PRO  19   1.845   1.973  -4.422
   38   2HB   PRO  19          2HB       PRO  19   1.342   3.469  -5.199
   39   1HG   PRO  19          1HG       PRO  19   3.321   3.462  -3.296
   40   2HG   PRO  19          2HG       PRO  19   2.131   4.790  -3.319
   41   1HD   PRO  19          1HD       PRO  19   2.108   2.283  -1.528
   42   2HD   PRO  19          2HD       PRO  19   1.883   4.004  -1.064
   43    H    SER  20           H        SER  20  -2.469   2.334  -3.587
   44    HA   SER  20           HA       SER  20  -2.248  -0.668  -3.441
   45   1HB   SER  20          1HB       SER  20  -4.755   0.992  -3.394
   46   2HB   SER  20          2HB       SER  20  -4.529  -0.728  -2.977
   47    HG   SER  20           HG       SER  20  -3.061  -0.049  -1.372
   48    H    VAL  21           H        VAL  21  -1.469   0.788  -5.959
   49    HA   VAL  21           HA       VAL  21  -2.846  -1.083  -7.905
   50    HB   VAL  21           HB       VAL  21  -0.242   0.504  -8.299
   51   1HG1  VAL  21          1HG1      VAL  21  -0.216  -1.487  -9.800
   52   2HG1  VAL  21          2HG1      VAL  21  -1.843  -1.100 -10.407
   53   3HG1  VAL  21          3HG1      VAL  21  -0.468  -0.021 -10.752
   54   1HG2  VAL  21          1HG2      VAL  21  -2.198   2.062  -8.220
   55   2HG2  VAL  21          2HG2      VAL  21  -1.551   1.976  -9.861
   56   3HG2  VAL  21          3HG2      VAL  21  -3.050   1.101  -9.453
   57    H    CYS  22           H        CYS  22  -0.116  -1.143  -5.774
   58    HA   CYS  22           HA       CYS  22   0.669  -3.993  -6.376
   59   1HB   CYS  22          1HB       CYS  22   2.070  -3.837  -4.396
   60   2HB   CYS  22          2HB       CYS  22   2.254  -2.341  -5.322
   61    H    ALA  23           H        ALA  23  -2.192  -2.897  -5.054
   62    HA   ALA  23           HA       ALA  23  -2.962  -4.209  -2.902
   63   1HB   ALA  23          1HB       ALA  23  -4.490  -2.877  -4.257
   64   2HB   ALA  23          2HB       ALA  23  -4.412  -3.995  -5.647
   65   3HB   ALA  23          3HB       ALA  23  -5.279  -4.443  -4.180
   66    HA   PRO  24           HA       PRO  24  -4.760  -5.087  -2.190
   67   1HB   PRO  24          1HB       PRO  24  -6.640  -6.941  -1.396
   68   2HB   PRO  24          2HB       PRO  24  -6.445  -6.619  -3.126
   69   1HG   PRO  24          1HG       PRO  24  -5.283  -8.944  -1.501
   70   2HG   PRO  24          2HG       PRO  24  -6.105  -9.016  -3.075
   71   1HD   PRO  24          1HD       PRO  24  -3.254  -8.845  -2.635
   72   2HD   PRO  24          2HD       PRO  24  -4.078  -8.587  -4.198
   73    H    ALA  25           H        ALA  25  -2.311  -6.634  -0.996
   74    HA   ALA  25           HA       ALA  25  -3.006  -6.412   1.881
   75   1HB   ALA  25          1HB       ALA  25  -0.228  -6.257   0.601
   76   2HB   ALA  25          2HB       ALA  25  -0.568  -6.382   2.347
   77   3HB   ALA  25          3HB       ALA  25  -1.001  -7.731   1.266
   78    H    CYS  26           H        CYS  26  -1.875  -4.048  -0.496
   79    HA   CYS  26           HA       CYS  26  -1.113  -1.946  -0.390
   80   1HB   CYS  26          1HB       CYS  26  -2.692  -0.375   0.497
   81   2HB   CYS  26          2HB       CYS  26  -3.575  -1.741  -0.115
   82    H    ALA  27           H        ALA  27   0.709  -3.235   0.533
   83    HA   ALA  27           HA       ALA  27   0.897  -3.556   3.394
   84   1HB   ALA  27          1HB       ALA  27   2.931  -4.260   1.176
   85   2HB   ALA  27          2HB       ALA  27   2.923  -4.927   2.828
   86   3HB   ALA  27          3HB       ALA  27   1.575  -5.269   1.725
   87    HA   PRO  28           HA       PRO  28   3.781  -0.165   4.738
   88   1HB   PRO  28          1HB       PRO  28   5.102  -2.435   6.324
   89   2HB   PRO  28          2HB       PRO  28   4.715  -0.784   6.860
   90   1HG   PRO  28          1HG       PRO  28   3.064  -2.813   7.553
   91   2HG   PRO  28          2HG       PRO  28   2.352  -1.280   6.984
   92   1HD   PRO  28          1HD       PRO  28   2.697  -3.890   5.420
   93   2HD   PRO  28          2HD       PRO  28   1.306  -2.759   5.454
   94    H    VAL  29           H        VAL  29   5.033  -2.841   3.014
   95    HA   VAL  29           HA       VAL  29   7.582  -1.277   2.456
   96    HB   VAL  29           HB       VAL  29   7.109  -4.234   1.775
   97   1HG1  VAL  29          1HG1      VAL  29   8.678  -3.249   0.099
   98   2HG1  VAL  29          2HG1      VAL  29   9.690  -2.569   1.397
   99   3HG1  VAL  29          3HG1      VAL  29   9.555  -4.333   1.177
  100   1HG2  VAL  29          1HG2      VAL  29   8.887  -4.754   3.485
  101   2HG2  VAL  29          2HG2      VAL  29   8.980  -3.027   3.930
  102   3HG2  VAL  29          3HG2      VAL  29   7.498  -3.965   4.241
  103    H    CYS  30           H        CYS  30   4.663  -2.266   0.891
  104    HA   CYS  30           HA       CYS  30   5.383  -1.101  -1.773
  105   1HB   CYS  30          1HB       CYS  30   3.602  -2.793  -1.673
  106   2HB   CYS  30          2HB       CYS  30   2.695  -1.848  -0.477
  107    H    CYS  31           H        CYS  31   3.894  -0.079   1.182
  108    HA   CYS  31           HA       CYS  31   3.426   2.759   0.414
  109   1HB   CYS  31          1HB       CYS  31   3.633   1.952   3.351
  110   2HB   CYS  31          2HB       CYS  31   2.618   3.170   2.595
  111    H    TYR  32           H        TYR  32   5.855   1.201   2.548
  112    HA   TYR  32           HA       TYR  32   7.532   3.778   2.515
  113   1HB   TYR  32          1HB       TYR  32   7.488   1.963   4.956
  114   2HB   TYR  32          2HB       TYR  32   7.981   3.614   4.818
  115    HD1  TYR  32           HD1      TYR  32   5.435   1.500   6.055
  116    HD2  TYR  32           HD2      TYR  32   5.866   5.284   4.050
  117    HE1  TYR  32           HE1      TYR  32   3.177   2.135   6.751
  118    HE2  TYR  32           HE2      TYR  32   3.596   5.909   4.765
  119    HH   TYR  32           HH       TYR  32   1.753   5.269   5.825
  120    HA   PRO  33           HA       PRO  33   9.942   0.028   0.964
  121   1HB   PRO  33          1HB       PRO  33  11.255   1.138  -1.204
  122   2HB   PRO  33          2HB       PRO  33   9.555   0.641  -1.217
  123   1HG   PRO  33          1HG       PRO  33  10.661   3.465  -0.789
  124   2HG   PRO  33          2HG       PRO  33   9.364   2.952  -1.897
  125   1HD   PRO  33          1HD       PRO  33   8.805   4.018   0.591
  126   2HD   PRO  33          2HD       PRO  33   7.781   2.731  -0.107
  127   1HN   NH2  34          1HN       NH2  34  11.698  -0.592   2.108
  128   2HN   NH2  34          2HN       NH2  34  13.142   0.460   2.522
  Start of MODEL    6
    1   1H    ACE  12          1H        ACE  12  -8.353  -3.165  -0.969
    2   2H    ACE  12          2H        ACE  12  -8.803  -4.742  -1.650
    3   3H    ACE  12          3H        ACE  12  -7.411  -3.858  -2.319
    4    HA   PRO  13           HA       PRO  13  -6.983  -1.620  -3.036
    5   1HB   PRO  13          1HB       PRO  13  -7.309   0.968  -3.917
    6   2HB   PRO  13          2HB       PRO  13  -7.260  -0.411  -5.029
    7   1HG   PRO  13          1HG       PRO  13  -9.707   1.011  -3.867
    8   2HG   PRO  13          2HG       PRO  13  -9.360   0.684  -5.586
    9   1HD   PRO  13          1HD       PRO  13 -10.986  -1.009  -4.061
   10   2HD   PRO  13          2HD       PRO  13  -9.924  -1.670  -5.340
   11    H    CYS  14           H        CYS  14  -5.986  -0.121  -1.659
   12    HA   CYS  14           HA       CYS  14  -7.522   0.805   0.773
   13   1HB   CYS  14          1HB       CYS  14  -4.549   0.780   0.363
   14   2HB   CYS  14          2HB       CYS  14  -5.403   1.281   1.831
   15    H    GLY  15           H        GLY  15  -5.709   2.152  -1.857
   16   1HA   GLY  15          1HA       GLY  15  -4.647   4.350  -2.122
   17   2HA   GLY  15          2HA       GLY  15  -6.361   4.656  -2.359
   18    H    SER  16           H        SER  16  -4.281   4.296   0.517
   19    HA   SER  16           HA       SER  16  -4.317   7.133   1.179
   20   1HB   SER  16          1HB       SER  16  -6.712   6.556   1.906
   21   2HB   SER  16          2HB       SER  16  -6.060   5.406   3.075
   22    HG   SER  16           HG       SER  16  -5.519   8.192   2.936
   23    H    TYR  17           H        TYR  17  -3.787   3.966   2.399
   24    HA   TYR  17           HA       TYR  17  -1.298   4.985   3.861
   25   1HB   TYR  17          1HB       TYR  17  -1.323   3.643   5.588
   26   2HB   TYR  17          2HB       TYR  17  -3.022   3.827   5.423
   27    HD1  TYR  17           HD1      TYR  17  -4.307   1.799   4.129
   28    HD2  TYR  17           HD2      TYR  17  -0.327   1.493   5.739
   29    HE1  TYR  17           HE1      TYR  17  -4.501  -0.675   4.220
   30    HE2  TYR  17           HE2      TYR  17  -0.557  -0.957   5.827
   31    HH   TYR  17           HH       TYR  17  -3.542  -2.568   4.781
   32    H    CYS  18           H        CYS  18  -2.033   3.770   0.977
   33    HA   CYS  18           HA       CYS  18   0.705   2.811   0.539
   34   1HB   CYS  18          1HB       CYS  18  -0.902   0.615   1.367
   35   2HB   CYS  18          2HB       CYS  18  -0.925   0.422  -0.389
   36    HA   PRO  19           HA       PRO  19  -0.543   3.415  -4.040
   37   1HB   PRO  19          1HB       PRO  19   1.853   1.583  -4.344
   38   2HB   PRO  19          2HB       PRO  19   1.448   3.071  -5.212
   39   1HG   PRO  19          1HG       PRO  19   3.405   3.065  -3.308
   40   2HG   PRO  19          2HG       PRO  19   2.286   4.445  -3.398
   41   1HD   PRO  19          1HD       PRO  19   2.141   2.043  -1.480
   42   2HD   PRO  19          2HD       PRO  19   1.991   3.792  -1.114
   43    H    SER  20           H        SER  20  -2.377   2.351  -4.012
   44    HA   SER  20           HA       SER  20  -2.552  -0.654  -3.667
   45   1HB   SER  20          1HB       SER  20  -4.931  -0.337  -3.656
   46   2HB   SER  20          2HB       SER  20  -4.134   0.739  -2.510
   47    HG   SER  20           HG       SER  20  -4.327   2.412  -4.080
   48    H    VAL  21           H        VAL  21  -1.414   0.741  -6.081
   49    HA   VAL  21           HA       VAL  21  -2.488  -1.247  -8.123
   50    HB   VAL  21           HB       VAL  21  -0.468  -0.858  -9.516
   51   1HG1  VAL  21          1HG1      VAL  21  -1.136   1.326 -10.434
   52   2HG1  VAL  21          2HG1      VAL  21  -2.569   0.381  -9.985
   53   3HG1  VAL  21          3HG1      VAL  21  -2.036   1.728  -8.948
   54   1HG2  VAL  21          1HG2      VAL  21   0.290   1.426  -7.581
   55   2HG2  VAL  21          2HG2      VAL  21   1.204  -0.080  -7.823
   56   3HG2  VAL  21          3HG2      VAL  21   1.049   1.079  -9.154
   57    H    CYS  22           H        CYS  22  -0.116  -1.096  -5.648
   58    HA   CYS  22           HA       CYS  22   0.692  -4.026  -5.917
   59   1HB   CYS  22          1HB       CYS  22   2.458  -2.454  -5.322
   60   2HB   CYS  22          2HB       CYS  22   1.495  -1.728  -4.030
   61    H    ALA  23           H        ALA  23  -2.241  -2.851  -5.100
   62    HA   ALA  23           HA       ALA  23  -2.965  -3.968  -2.685
   63   1HB   ALA  23          1HB       ALA  23  -4.414  -3.700  -5.432
   64   2HB   ALA  23          2HB       ALA  23  -5.287  -4.044  -3.942
   65   3HB   ALA  23          3HB       ALA  23  -4.397  -2.534  -4.081
   66    HA   PRO  24           HA       PRO  24  -4.797  -4.842  -2.039
   67   1HB   PRO  24          1HB       PRO  24  -6.780  -6.648  -1.356
   68   2HB   PRO  24          2HB       PRO  24  -6.558  -6.220  -3.058
   69   1HG   PRO  24          1HG       PRO  24  -5.523  -8.710  -1.596
   70   2HG   PRO  24          2HG       PRO  24  -6.348  -8.631  -3.172
   71   1HD   PRO  24          1HD       PRO  24  -3.496  -8.646  -2.742
   72   2HD   PRO  24          2HD       PRO  24  -4.310  -8.206  -4.271
   73    H    ALA  25           H        ALA  25  -2.448  -6.588  -0.939
   74    HA   ALA  25           HA       ALA  25  -3.087  -6.534   1.955
   75   1HB   ALA  25          1HB       ALA  25  -0.339  -6.366   0.601
   76   2HB   ALA  25          2HB       ALA  25  -0.628  -6.615   2.341
   77   3HB   ALA  25          3HB       ALA  25  -1.136  -7.859   1.178
   78    H    CYS  26           H        CYS  26  -1.881  -4.077  -0.272
   79    HA   CYS  26           HA       CYS  26  -1.259  -1.906  -0.063
   80   1HB   CYS  26          1HB       CYS  26  -3.138  -1.672   2.369
   81   2HB   CYS  26          2HB       CYS  26  -2.763  -0.419   1.192
   82    H    ALA  27           H        ALA  27   0.753  -3.202   0.557
   83    HA   ALA  27           HA       ALA  27   1.093  -3.795   3.413
   84   1HB   ALA  27          1HB       ALA  27   1.536  -5.420   1.600
   85   2HB   ALA  27          2HB       ALA  27   2.850  -4.412   0.944
   86   3HB   ALA  27          3HB       ALA  27   3.014  -5.170   2.552
   87    HA   PRO  28           HA       PRO  28   3.932  -0.356   4.772
   88   1HB   PRO  28          1HB       PRO  28   5.484  -2.740   5.914
   89   2HB   PRO  28          2HB       PRO  28   5.188  -1.152   6.656
   90   1HG   PRO  28          1HG       PRO  28   3.615  -3.239   7.365
   91   2HG   PRO  28          2HG       PRO  28   2.842  -1.672   7.037
   92   1HD   PRO  28          1HD       PRO  28   2.940  -4.131   5.238
   93   2HD   PRO  28          2HD       PRO  28   1.608  -2.958   5.485
   94    H    VAL  29           H        VAL  29   5.311  -3.032   3.076
   95    HA   VAL  29           HA       VAL  29   7.743  -1.523   2.251
   96    HB   VAL  29           HB       VAL  29   7.802  -4.010   2.731
   97   1HG1  VAL  29          1HG1      VAL  29   6.570  -4.464  -0.046
   98   2HG1  VAL  29          2HG1      VAL  29   7.217  -5.700   1.061
   99   3HG1  VAL  29          3HG1      VAL  29   5.762  -4.782   1.509
  100   1HG2  VAL  29          1HG2      VAL  29   8.981  -3.250  -0.007
  101   2HG2  VAL  29          2HG2      VAL  29   9.707  -2.897   1.581
  102   3HG2  VAL  29          3HG2      VAL  29   9.516  -4.578   1.052
  103    H    CYS  30           H        CYS  30   4.769  -2.281   0.659
  104    HA   CYS  30           HA       CYS  30   5.496  -0.746  -1.835
  105   1HB   CYS  30          1HB       CYS  30   2.829  -1.864  -0.795
  106   2HB   CYS  30          2HB       CYS  30   2.950  -0.811  -2.215
  107    H    CYS  31           H        CYS  31   4.007  -0.152   1.218
  108    HA   CYS  31           HA       CYS  31   3.160   2.657   0.779
  109   1HB   CYS  31          1HB       CYS  31   3.736   1.298   3.480
  110   2HB   CYS  31          2HB       CYS  31   2.546   2.527   3.161
  111    H    TYR  32           H        TYR  32   6.072   4.556   2.295
  112    HA   TYR  32           HA       TYR  32   3.023   4.374   2.496
  113   1HB   TYR  32          1HB       TYR  32   5.004   5.670   4.467
  114   2HB   TYR  32          2HB       TYR  32   3.285   5.905   4.521
  115    HD1  TYR  32           HD1      TYR  32   5.959   3.278   5.029
  116    HD2  TYR  32           HD2      TYR  32   1.744   4.145   5.398
  117    HE1  TYR  32           HE1      TYR  32   5.699   1.445   6.614
  118    HE2  TYR  32           HE2      TYR  32   1.520   2.303   6.984
  119    HH   TYR  32           HH       TYR  32   4.314   0.319   7.935
  120    HA   PRO  33           HA       PRO  33   3.424   8.008  -0.178
  121   1HB   PRO  33          1HB       PRO  33   0.767   8.652  -0.571
  122   2HB   PRO  33          2HB       PRO  33   1.527   7.194  -1.223
  123   1HG   PRO  33          1HG       PRO  33  -0.178   7.431   1.309
  124   2HG   PRO  33          2HG       PRO  33  -0.312   6.218   0.014
  125   1HD   PRO  33          1HD       PRO  33   1.057   5.725   2.380
  126   2HD   PRO  33          2HD       PRO  33   1.558   4.984   0.833
  127   1HN   NH2  34          1HN       NH2  34   3.366  11.041   1.745
  128   2HN   NH2  34          2HN       NH2  34   4.100  10.005   0.421
  Start of MODEL    7
    1   1H    ACE  12          1H        ACE  12  -7.892  -3.450  -1.008
    2   2H    ACE  12          2H        ACE  12  -8.202  -5.067  -1.679
    3   3H    ACE  12          3H        ACE  12  -6.809  -4.126  -2.255
    4    HA   PRO  13           HA       PRO  13  -6.470  -1.862  -2.921
    5   1HB   PRO  13          1HB       PRO  13  -6.824   0.673  -3.954
    6   2HB   PRO  13          2HB       PRO  13  -6.619  -0.748  -4.990
    7   1HG   PRO  13          1HG       PRO  13  -9.236   0.587  -4.133
    8   2HG   PRO  13          2HG       PRO  13  -8.695   0.213  -5.796
    9   1HD   PRO  13          1HD       PRO  13 -10.370  -1.510  -4.376
   10   2HD   PRO  13          2HD       PRO  13  -9.148  -2.140  -5.521
   11    H    CYS  14           H        CYS  14  -5.718  -0.131  -1.535
   12    HA   CYS  14           HA       CYS  14  -7.671   0.671   0.658
   13   1HB   CYS  14          1HB       CYS  14  -4.692   0.866   0.805
   14   2HB   CYS  14          2HB       CYS  14  -5.843   1.353   2.064
   15    H    GLY  15           H        GLY  15  -5.655   2.160  -1.738
   16   1HA   GLY  15          1HA       GLY  15  -5.488   4.441  -2.487
   17   2HA   GLY  15          2HA       GLY  15  -6.861   4.834  -1.465
   18    H    SER  16           H        SER  16  -6.317   5.083   0.895
   19    HA   SER  16           HA       SER  16  -4.488   7.338   0.872
   20   1HB   SER  16          1HB       SER  16  -6.789   7.267   2.018
   21   2HB   SER  16          2HB       SER  16  -6.080   6.271   3.288
   22    HG   SER  16           HG       SER  16  -5.222   8.866   2.495
   23    H    TYR  17           H        TYR  17  -4.166   4.338   2.550
   24    HA   TYR  17           HA       TYR  17  -1.577   5.358   3.835
   25   1HB   TYR  17          1HB       TYR  17  -1.719   4.148   5.630
   26   2HB   TYR  17          2HB       TYR  17  -3.412   4.214   5.336
   27    HD1  TYR  17           HD1      TYR  17  -4.540   2.073   4.201
   28    HD2  TYR  17           HD2      TYR  17  -0.527   2.075   5.755
   29    HE1  TYR  17           HE1      TYR  17  -4.559  -0.405   4.339
   30    HE2  TYR  17           HE2      TYR  17  -0.572  -0.383   5.876
   31    HH   TYR  17           HH       TYR  17  -1.795  -2.209   5.621
   32    H    CYS  18           H        CYS  18  -2.337   3.893   1.014
   33    HA   CYS  18           HA       CYS  18   0.438   2.933   0.658
   34   1HB   CYS  18          1HB       CYS  18  -1.202   0.797   1.530
   35   2HB   CYS  18          2HB       CYS  18  -1.267   0.564  -0.218
   36    HA   PRO  19           HA       PRO  19  -0.774   3.533  -3.929
   37   1HB   PRO  19          1HB       PRO  19   1.829   2.028  -4.234
   38   2HB   PRO  19          2HB       PRO  19   1.280   3.513  -5.027
   39   1HG   PRO  19          1HG       PRO  19   3.194   3.598  -3.076
   40   2HG   PRO  19          2HG       PRO  19   1.950   4.869  -3.153
   41   1HD   PRO  19          1HD       PRO  19   1.971   2.388  -1.332
   42   2HD   PRO  19          2HD       PRO  19   1.666   4.100  -0.895
   43    H    SER  20           H        SER  20  -2.493   2.253  -3.709
   44    HA   SER  20           HA       SER  20  -2.205  -0.780  -3.541
   45   1HB   SER  20          1HB       SER  20  -4.671   0.920  -3.245
   46   2HB   SER  20          2HB       SER  20  -4.530  -0.848  -3.091
   47    HG   SER  20           HG       SER  20  -2.979  -0.514  -1.468
   48    H    VAL  21           H        VAL  21  -1.467   0.783  -5.967
   49    HA   VAL  21           HA       VAL  21  -2.737  -1.185  -7.922
   50    HB   VAL  21           HB       VAL  21  -0.252   0.570  -8.332
   51   1HG1  VAL  21          1HG1      VAL  21  -0.064  -1.494  -9.741
   52   2HG1  VAL  21          2HG1      VAL  21  -1.691  -1.221 -10.404
   53   3HG1  VAL  21          3HG1      VAL  21  -0.366  -0.080 -10.756
   54   1HG2  VAL  21          1HG2      VAL  21  -2.330   1.968  -8.345
   55   2HG2  VAL  21          2HG2      VAL  21  -1.654   1.863  -9.975
   56   3HG2  VAL  21          3HG2      VAL  21  -3.083   0.888  -9.542
   57    H    CYS  22           H        CYS  22   0.017  -0.861  -5.865
   58    HA   CYS  22           HA       CYS  22   1.053  -3.690  -6.171
   59   1HB   CYS  22          1HB       CYS  22   2.578  -1.801  -5.693
   60   2HB   CYS  22          2HB       CYS  22   1.698  -1.381  -4.225
   61    H    ALA  23           H        ALA  23  -1.877  -2.755  -5.008
   62    HA   ALA  23           HA       ALA  23  -2.628  -3.985  -2.701
   63   1HB   ALA  23          1HB       ALA  23  -3.689  -3.948  -5.637
   64   2HB   ALA  23          2HB       ALA  23  -4.708  -4.539  -4.344
   65   3HB   ALA  23          3HB       ALA  23  -4.131  -2.886  -4.272
   66    HA   PRO  24           HA       PRO  24  -4.532  -5.086  -2.354
   67   1HB   PRO  24          1HB       PRO  24  -6.283  -7.117  -1.760
   68   2HB   PRO  24          2HB       PRO  24  -5.871  -6.778  -3.446
   69   1HG   PRO  24          1HG       PRO  24  -4.694  -8.955  -1.637
   70   2HG   PRO  24          2HG       PRO  24  -5.304  -9.127  -3.299
   71   1HD   PRO  24          1HD       PRO  24  -2.567  -8.693  -2.585
   72   2HD   PRO  24          2HD       PRO  24  -3.258  -8.394  -4.203
   73    H    ALA  25           H        ALA  25  -2.233  -6.621  -0.579
   74    HA   ALA  25           HA       ALA  25  -3.589  -6.334   2.063
   75   1HB   ALA  25          1HB       ALA  25  -1.664  -7.882   1.909
   76   2HB   ALA  25          2HB       ALA  25  -0.585  -6.533   1.448
   77   3HB   ALA  25          3HB       ALA  25  -1.309  -6.588   3.072
   78    H    CYS  26           H        CYS  26  -2.208  -3.938  -0.059
   79    HA   CYS  26           HA       CYS  26  -1.476  -1.817   0.186
   80   1HB   CYS  26          1HB       CYS  26  -3.300  -1.604   2.652
   81   2HB   CYS  26          2HB       CYS  26  -2.974  -0.356   1.458
   82    H    ALA  27           H        ALA  27   0.406  -3.289   0.850
   83    HA   ALA  27           HA       ALA  27   0.965  -3.620   3.684
   84   1HB   ALA  27          1HB       ALA  27   2.549  -4.454   1.153
   85   2HB   ALA  27          2HB       ALA  27   2.762  -5.151   2.781
   86   3HB   ALA  27          3HB       ALA  27   1.230  -5.369   1.923
   87    HA   PRO  28           HA       PRO  28   4.246  -0.479   4.431
   88   1HB   PRO  28          1HB       PRO  28   5.943  -1.747   6.240
   89   2HB   PRO  28          2HB       PRO  28   4.336  -1.123   6.617
   90   1HG   PRO  28          1HG       PRO  28   5.088  -4.005   5.912
   91   2HG   PRO  28          2HG       PRO  28   4.121  -3.436   7.297
   92   1HD   PRO  28          1HD       PRO  28   2.925  -4.386   5.010
   93   2HD   PRO  28          2HD       PRO  28   2.191  -3.011   5.895
   94    H    VAL  29           H        VAL  29   4.970  -3.060   2.444
   95    HA   VAL  29           HA       VAL  29   7.475  -1.585   1.582
   96    HB   VAL  29           HB       VAL  29   8.185  -3.539   0.202
   97   1HG1  VAL  29          1HG1      VAL  29   9.284  -3.085   2.388
   98   2HG1  VAL  29          2HG1      VAL  29   8.138  -4.166   3.212
   99   3HG1  VAL  29          3HG1      VAL  29   9.274  -4.818   2.006
  100   1HG2  VAL  29          1HG2      VAL  29   7.384  -5.844   0.607
  101   2HG2  VAL  29          2HG2      VAL  29   6.137  -5.256   1.734
  102   3HG2  VAL  29          3HG2      VAL  29   6.053  -4.831   0.008
  103    H    CYS  30           H        CYS  30   4.329  -2.439   0.568
  104    HA   CYS  30           HA       CYS  30   4.556  -1.176  -2.141
  105   1HB   CYS  30          1HB       CYS  30   2.112  -1.647  -0.323
  106   2HB   CYS  30          2HB       CYS  30   2.037  -0.945  -1.933
  107    H    CYS  31           H        CYS  31   3.654  -0.255   1.073
  108    HA   CYS  31           HA       CYS  31   3.253   2.651   0.499
  109   1HB   CYS  31          1HB       CYS  31   3.533   1.738   3.393
  110   2HB   CYS  31          2HB       CYS  31   2.485   2.967   2.689
  111    H    TYR  32           H        TYR  32   5.802   0.848   2.273
  112    HA   TYR  32           HA       TYR  32   7.593   3.351   2.165
  113   1HB   TYR  32          1HB       TYR  32   7.770   1.354   4.465
  114   2HB   TYR  32          2HB       TYR  32   8.469   2.937   4.331
  115    HD1  TYR  32           HD1      TYR  32   6.651   4.969   4.140
  116    HD2  TYR  32           HD2      TYR  32   5.744   1.055   5.682
  117    HE1  TYR  32           HE1      TYR  32   4.648   5.862   5.254
  118    HE2  TYR  32           HE2      TYR  32   3.758   1.956   6.788
  119    HH   TYR  32           HH       TYR  32   2.878   5.402   6.510
  120    HA   PRO  33           HA       PRO  33   9.497  -0.346  -0.022
  121   1HB   PRO  33          1HB       PRO  33  10.512   0.873  -2.298
  122   2HB   PRO  33          2HB       PRO  33   8.818   0.410  -2.067
  123   1HG   PRO  33          1HG       PRO  33  10.063   3.173  -1.649
  124   2HG   PRO  33          2HG       PRO  33   8.580   2.766  -2.546
  125   1HD   PRO  33          1HD       PRO  33   8.492   3.680   0.061
  126   2HD   PRO  33          2HD       PRO  33   7.319   2.464  -0.527
  127   1HN   NH2  34          1HN       NH2  34  11.618   2.641  -0.217
  128   2HN   NH2  34          2HN       NH2  34  13.053   1.770   0.518
  Start of MODEL    8
    1   1H    ACE  12          1H        ACE  12  -7.611  -3.820  -0.629
    2   2H    ACE  12          2H        ACE  12  -8.797  -3.096   0.492
    3   3H    ACE  12          3H        ACE  12  -8.989  -4.779  -0.053
    4    HA   PRO  13           HA       PRO  13  -7.031  -2.149  -2.123
    5   1HB   PRO  13          1HB       PRO  13  -7.277   0.312  -3.369
    6   2HB   PRO  13          2HB       PRO  13  -7.331  -1.226  -4.241
    7   1HG   PRO  13          1HG       PRO  13  -9.676   0.473  -3.249
    8   2HG   PRO  13          2HG       PRO  13  -9.408  -0.141  -4.902
    9   1HD   PRO  13          1HD       PRO  13 -11.038  -1.494  -3.113
   10   2HD   PRO  13          2HD       PRO  13 -10.011  -2.412  -4.252
   11    H    CYS  14           H        CYS  14  -5.882  -0.197  -1.290
   12    HA   CYS  14           HA       CYS  14  -7.076   0.762   1.319
   13   1HB   CYS  14          1HB       CYS  14  -4.711   1.744   1.694
   14   2HB   CYS  14          2HB       CYS  14  -4.874  -0.012   1.705
   15    H    GLY  15           H        GLY  15  -5.738   2.113  -1.592
   16   1HA   GLY  15          1HA       GLY  15  -5.832   4.374  -2.495
   17   2HA   GLY  15          2HA       GLY  15  -7.118   4.733  -1.356
   18    H    SER  16           H        SER  16  -6.449   5.224   0.842
   19    HA   SER  16           HA       SER  16  -4.470   7.399   0.610
   20   1HB   SER  16          1HB       SER  16  -6.411   6.758   2.916
   21   2HB   SER  16          2HB       SER  16  -5.434   8.220   2.816
   22    HG   SER  16           HG       SER  16  -7.504   8.514   1.989
   23    H    TYR  17           H        TYR  17  -4.379   4.535   2.551
   24    HA   TYR  17           HA       TYR  17  -1.966   5.611   4.065
   25   1HB   TYR  17          1HB       TYR  17  -2.092   4.189   5.709
   26   2HB   TYR  17          2HB       TYR  17  -3.765   4.224   5.316
   27    HD1  TYR  17           HD1      TYR  17  -0.827   2.138   5.748
   28    HD2  TYR  17           HD2      TYR  17  -4.767   2.149   4.019
   29    HE1  TYR  17           HE1      TYR  17  -0.834  -0.335   5.721
   30    HE2  TYR  17           HE2      TYR  17  -4.738  -0.336   4.006
   31    HH   TYR  17           HH       TYR  17  -2.018  -2.162   5.325
   32    H    CYS  18           H        CYS  18  -2.490   3.909   1.176
   33    HA   CYS  18           HA       CYS  18   0.418   3.264   0.873
   34   1HB   CYS  18          1HB       CYS  18  -1.602   0.898   0.930
   35   2HB   CYS  18          2HB       CYS  18   0.074   0.765   0.422
   36    HA   PRO  19           HA       PRO  19  -0.777   3.394  -3.761
   37   1HB   PRO  19          1HB       PRO  19   1.688   1.631  -3.859
   38   2HB   PRO  19          2HB       PRO  19   1.243   3.008  -4.881
   39   1HG   PRO  19          1HG       PRO  19   3.143   3.301  -2.948
   40   2HG   PRO  19          2HG       PRO  19   1.935   4.592  -3.170
   41   1HD   PRO  19          1HD       PRO  19   1.909   2.340  -1.077
   42   2HD   PRO  19          2HD       PRO  19   1.644   4.099  -0.838
   43    H    SER  20           H        SER  20  -2.536   2.260  -3.950
   44    HA   SER  20           HA       SER  20  -2.566  -0.760  -3.529
   45   1HB   SER  20          1HB       SER  20  -4.864  -0.695  -3.576
   46   2HB   SER  20          2HB       SER  20  -4.292   0.577  -2.518
   47    HG   SER  20           HG       SER  20  -4.623   2.077  -4.226
   48    H    VAL  21           H        VAL  21  -1.117   0.468  -5.662
   49    HA   VAL  21           HA       VAL  21  -2.169  -1.148  -8.015
   50    HB   VAL  21           HB       VAL  21   0.631   0.089  -7.706
   51   1HG1  VAL  21          1HG1      VAL  21  -0.626  -1.173 -10.236
   52   2HG1  VAL  21          2HG1      VAL  21   0.926  -0.298 -10.182
   53   3HG1  VAL  21          3HG1      VAL  21   0.747  -1.825  -9.310
   54   1HG2  VAL  21          1HG2      VAL  21  -0.100   1.793  -9.415
   55   2HG2  VAL  21          2HG2      VAL  21  -1.749   1.117  -9.398
   56   3HG2  VAL  21          3HG2      VAL  21  -1.078   1.900  -7.948
   57    H    CYS  22           H        CYS  22   0.100  -1.618  -5.457
   58    HA   CYS  22           HA       CYS  22   0.542  -4.563  -6.002
   59   1HB   CYS  22          1HB       CYS  22   1.670  -4.495  -3.792
   60   2HB   CYS  22          2HB       CYS  22   2.244  -3.177  -4.826
   61    H    ALA  23           H        ALA  23  -2.271  -3.070  -5.118
   62    HA   ALA  23           HA       ALA  23  -3.307  -4.006  -2.941
   63   1HB   ALA  23          1HB       ALA  23  -5.610  -3.986  -4.129
   64   2HB   ALA  23          2HB       ALA  23  -4.568  -2.640  -4.552
   65   3HB   ALA  23          3HB       ALA  23  -4.756  -4.002  -5.685
   66    HA   PRO  24           HA       PRO  24  -5.089  -4.558  -2.016
   67   1HB   PRO  24          1HB       PRO  24  -6.803  -6.118  -0.488
   68   2HB   PRO  24          2HB       PRO  24  -7.056  -5.985  -2.233
   69   1HG   PRO  24          1HG       PRO  24  -5.672  -8.251  -0.703
   70   2HG   PRO  24          2HG       PRO  24  -6.917  -8.390  -1.968
   71   1HD   PRO  24          1HD       PRO  24  -4.085  -8.533  -2.383
   72   2HD   PRO  24          2HD       PRO  24  -5.278  -8.208  -3.675
   73    H    ALA  25           H        ALA  25  -2.555  -6.190  -1.255
   74    HA   ALA  25           HA       ALA  25  -2.393  -4.675   1.393
   75   1HB   ALA  25          1HB       ALA  25  -2.227  -7.043   1.911
   76   2HB   ALA  25          2HB       ALA  25  -0.783  -7.178   0.837
   77   3HB   ALA  25          3HB       ALA  25  -0.761  -6.099   2.282
   78    H    CYS  26           H        CYS  26  -2.076  -3.496  -0.588
   79    HA   CYS  26           HA       CYS  26  -0.831  -1.306   0.035
   80   1HB   CYS  26          1HB       CYS  26  -3.269  -2.745   1.226
   81   2HB   CYS  26          2HB       CYS  26  -2.815  -1.110   1.659
   82    H    ALA  27           H        ALA  27   0.701  -3.194   0.794
   83    HA   ALA  27           HA       ALA  27   0.957  -3.552   3.720
   84   1HB   ALA  27          1HB       ALA  27   1.239  -5.296   1.974
   85   2HB   ALA  27          2HB       ALA  27   2.708  -4.500   1.362
   86   3HB   ALA  27          3HB       ALA  27   2.679  -5.215   3.010
   87    HA   PRO  28           HA       PRO  28   4.201  -0.578   4.974
   88   1HB   PRO  28          1HB       PRO  28   5.643  -2.998   6.181
   89   2HB   PRO  28          2HB       PRO  28   5.396  -1.386   6.894
   90   1HG   PRO  28          1HG       PRO  28   3.748  -3.405   7.635
   91   2HG   PRO  28          2HG       PRO  28   3.038  -1.813   7.272
   92   1HD   PRO  28          1HD       PRO  28   3.073  -4.303   5.490
   93   2HD   PRO  28          2HD       PRO  28   1.763  -3.114   5.761
   94    H    VAL  29           H        VAL  29   5.290  -3.150   2.976
   95    HA   VAL  29           HA       VAL  29   7.772  -1.588   2.239
   96    HB   VAL  29           HB       VAL  29   7.999  -4.065   2.607
   97   1HG1  VAL  29          1HG1      VAL  29   7.406  -5.721   0.909
   98   2HG1  VAL  29          2HG1      VAL  29   5.928  -4.923   1.483
   99   3HG1  VAL  29          3HG1      VAL  29   6.611  -4.489  -0.102
  100   1HG2  VAL  29          1HG2      VAL  29   9.627  -4.444   0.792
  101   2HG2  VAL  29          2HG2      VAL  29   8.917  -3.125  -0.172
  102   3HG2  VAL  29          3HG2      VAL  29   9.738  -2.772   1.370
  103    H    CYS  30           H        CYS  30   4.726  -2.441   0.860
  104    HA   CYS  30           HA       CYS  30   5.160  -1.039  -1.756
  105   1HB   CYS  30          1HB       CYS  30   3.530  -2.941  -1.510
  106   2HB   CYS  30          2HB       CYS  30   2.575  -1.988  -0.365
  107    H    CYS  31           H        CYS  31   4.004  -0.278   1.390
  108    HA   CYS  31           HA       CYS  31   3.053   2.538   0.829
  109   1HB   CYS  31          1HB       CYS  31   3.634   1.540   3.657
  110   2HB   CYS  31          2HB       CYS  31   2.455   2.737   3.121
  111    H    TYR  32           H        TYR  32   5.822   1.029   2.528
  112    HA   TYR  32           HA       TYR  32   7.296   3.728   2.496
  113   1HB   TYR  32          1HB       TYR  32   7.663   1.704   4.750
  114   2HB   TYR  32          2HB       TYR  32   8.117   3.377   4.688
  115    HD1  TYR  32           HD1      TYR  32   5.756   1.121   6.050
  116    HD2  TYR  32           HD2      TYR  32   5.932   5.070   4.343
  117    HE1  TYR  32           HE1      TYR  32   3.621   1.681   7.106
  118    HE2  TYR  32           HE2      TYR  32   3.793   5.621   5.419
  119    HH   TYR  32           HH       TYR  32   2.060   3.224   7.415
  120    HA   PRO  33           HA       PRO  33   9.772   0.375   0.302
  121   1HB   PRO  33          1HB       PRO  33  10.710   1.810  -1.878
  122   2HB   PRO  33          2HB       PRO  33   9.072   1.161  -1.743
  123   1HG   PRO  33          1HG       PRO  33  10.000   4.017  -1.146
  124   2HG   PRO  33          2HG       PRO  33   8.616   3.506  -2.143
  125   1HD   PRO  33          1HD       PRO  33   8.300   4.265   0.498
  126   2HD   PRO  33          2HD       PRO  33   7.288   2.975  -0.217
  127   1HN   NH2  34          1HN       NH2  34  11.718  -0.199   1.127
  128   2HN   NH2  34          2HN       NH2  34  13.104   0.942   1.501
  Start of MODEL    9
    1   1H    ACE  12          1H        ACE  12 -11.882  -2.290  -4.317
    2   2H    ACE  12          2H        ACE  12 -10.283  -2.913  -4.772
    3   3H    ACE  12          3H        ACE  12 -10.501  -2.030  -3.234
    4    HA   PRO  13           HA       PRO  13  -8.151  -2.174  -5.309
    5   1HB   PRO  13          1HB       PRO  13  -5.946  -0.672  -5.744
    6   2HB   PRO  13          2HB       PRO  13  -7.111  -1.081  -7.005
    7   1HG   PRO  13          1HG       PRO  13  -6.977   1.534  -5.409
    8   2HG   PRO  13          2HG       PRO  13  -7.082   1.334  -7.174
    9   1HD   PRO  13          1HD       PRO  13  -9.318   1.803  -5.590
   10   2HD   PRO  13          2HD       PRO  13  -9.415   0.802  -7.066
   11    H    CYS  14           H        CYS  14  -6.419   0.406  -3.702
   12    HA   CYS  14           HA       CYS  14  -7.047  -0.786  -0.968
   13   1HB   CYS  14          1HB       CYS  14  -4.547  -1.002  -2.360
   14   2HB   CYS  14          2HB       CYS  14  -4.291   0.190  -1.094
   15    H    GLY  15           H        GLY  15  -5.524   2.049  -2.240
   16   1HA   GLY  15          1HA       GLY  15  -5.193   4.247  -1.184
   17   2HA   GLY  15          2HA       GLY  15  -6.939   4.205  -1.091
   18    H    SER  16           H        SER  16  -3.985   3.384   0.717
   19    HA   SER  16           HA       SER  16  -4.947   4.333   3.209
   20   1HB   SER  16          1HB       SER  16  -6.352   2.283   3.399
   21   2HB   SER  16          2HB       SER  16  -4.945   1.246   3.198
   22    HG   SER  16           HG       SER  16  -4.052   2.268   5.064
   23    H    TYR  17           H        TYR  17  -3.176   5.262   2.720
   24    HA   TYR  17           HA       TYR  17  -0.997   6.004   2.795
   25   1HB   TYR  17          1HB       TYR  17   0.637   5.257   4.431
   26   2HB   TYR  17          2HB       TYR  17  -0.923   5.581   5.105
   27    HD1  TYR  17           HD1      TYR  17   1.430   2.825   4.205
   28    HD2  TYR  17           HD2      TYR  17  -2.302   3.773   6.110
   29    HE1  TYR  17           HE1      TYR  17   1.083   0.467   4.729
   30    HE2  TYR  17           HE2      TYR  17  -2.648   1.415   6.598
   31    HH   TYR  17           HH       TYR  17  -1.790  -0.633   6.537
   32    H    CYS  18           H        CYS  18  -1.723   3.776   0.833
   33    HA   CYS  18           HA       CYS  18   1.138   3.138  -0.067
   34   1HB   CYS  18          1HB       CYS  18  -1.051   1.263   0.591
   35   2HB   CYS  18          2HB       CYS  18  -0.632   1.022  -1.092
   36    HA   PRO  19           HA       PRO  19  -0.143   3.814  -4.605
   37   1HB   PRO  19          1HB       PRO  19   2.166   1.918  -4.953
   38   2HB   PRO  19          2HB       PRO  19   1.834   3.453  -5.757
   39   1HG   PRO  19          1HG       PRO  19   3.825   3.233  -3.878
   40   2HG   PRO  19          2HG       PRO  19   2.839   4.712  -3.977
   41   1HD   PRO  19          1HD       PRO  19   2.470   2.336  -2.053
   42   2HD   PRO  19          2HD       PRO  19   2.502   4.093  -1.675
   43    H    SER  20           H        SER  20  -2.005   2.792  -4.440
   44    HA   SER  20           HA       SER  20  -2.380  -0.085  -3.755
   45   1HB   SER  20          1HB       SER  20  -4.651   0.272  -4.239
   46   2HB   SER  20          2HB       SER  20  -3.992   1.477  -3.138
   47    HG   SER  20           HG       SER  20  -4.479   1.807  -5.930
   48    H    VAL  21           H        VAL  21  -0.978   0.979  -6.446
   49    HA   VAL  21           HA       VAL  21  -2.017  -1.215  -8.238
   50    HB   VAL  21           HB       VAL  21   0.070  -0.974  -9.607
   51   1HG1  VAL  21          1HG1      VAL  21  -1.978   0.298 -10.234
   52   2HG1  VAL  21          2HG1      VAL  21  -1.431   1.693  -9.268
   53   3HG1  VAL  21          3HG1      VAL  21  -0.498   1.168 -10.689
   54   1HG2  VAL  21          1HG2      VAL  21   0.838   1.420  -7.821
   55   2HG2  VAL  21          2HG2      VAL  21   1.702  -0.137  -7.897
   56   3HG2  VAL  21          3HG2      VAL  21   1.650   0.920  -9.322
   57    H    CYS  22           H        CYS  22   0.142  -1.110  -5.604
   58    HA   CYS  22           HA       CYS  22  -0.027  -4.148  -5.702
   59   1HB   CYS  22          1HB       CYS  22   1.893  -4.268  -4.091
   60   2HB   CYS  22          2HB       CYS  22   2.214  -3.959  -5.807
   61    H    ALA  23           H        ALA  23  -2.135  -2.671  -5.063
   62    HA   ALA  23           HA       ALA  23  -3.045  -3.280  -2.408
   63   1HB   ALA  23          1HB       ALA  23  -4.413  -2.232  -4.219
   64   2HB   ALA  23          2HB       ALA  23  -4.180  -3.624  -5.305
   65   3HB   ALA  23          3HB       ALA  23  -5.203  -3.759  -3.891
   66    HA   PRO  24           HA       PRO  24  -4.937  -4.322  -1.944
   67   1HB   PRO  24          1HB       PRO  24  -6.820  -6.222  -1.302
   68   2HB   PRO  24          2HB       PRO  24  -6.326  -6.004  -2.985
   69   1HG   PRO  24          1HG       PRO  24  -5.380  -8.155  -1.022
   70   2HG   PRO  24          2HG       PRO  24  -5.867  -8.354  -2.716
   71   1HD   PRO  24          1HD       PRO  24  -3.172  -7.974  -1.748
   72   2HD   PRO  24          2HD       PRO  24  -3.691  -7.861  -3.452
   73    H    ALA  25           H        ALA  25  -2.705  -5.714  -0.054
   74    HA   ALA  25           HA       ALA  25  -4.055  -5.258   2.588
   75   1HB   ALA  25          1HB       ALA  25  -2.036  -6.737   2.594
   76   2HB   ALA  25          2HB       ALA  25  -1.044  -5.381   1.988
   77   3HB   ALA  25          3HB       ALA  25  -1.766  -5.299   3.603
   78    H    CYS  26           H        CYS  26  -2.521  -3.211   0.221
   79    HA   CYS  26           HA       CYS  26  -1.851  -1.023   0.160
   80   1HB   CYS  26          1HB       CYS  26  -3.132  -0.086   2.747
   81   2HB   CYS  26          2HB       CYS  26  -3.180   0.611   1.122
   82    H    ALA  27           H        ALA  27   0.154  -2.389   0.670
   83    HA   ALA  27           HA       ALA  27   0.619  -3.050   3.449
   84   1HB   ALA  27          1HB       ALA  27   2.311  -4.586   2.506
   85   2HB   ALA  27          2HB       ALA  27   0.872  -4.601   1.471
   86   3HB   ALA  27          3HB       ALA  27   2.315  -3.717   0.954
   87    HA   PRO  28           HA       PRO  28   4.063  -0.062   4.515
   88   1HB   PRO  28          1HB       PRO  28   5.064  -2.488   6.097
   89   2HB   PRO  28          2HB       PRO  28   4.997  -0.784   6.596
   90   1HG   PRO  28          1HG       PRO  28   3.072  -2.483   7.464
   91   2HG   PRO  28          2HG       PRO  28   2.585  -0.873   6.885
   92   1HD   PRO  28          1HD       PRO  28   2.423  -3.538   5.371
   93   2HD   PRO  28          2HD       PRO  28   1.224  -2.210   5.469
   94    H    VAL  29           H        VAL  29   4.662  -2.977   2.822
   95    HA   VAL  29           HA       VAL  29   7.360  -1.885   1.938
   96    HB   VAL  29           HB       VAL  29   7.906  -4.073   0.875
   97   1HG1  VAL  29          1HG1      VAL  29   8.881  -3.469   3.083
   98   2HG1  VAL  29          2HG1      VAL  29   7.539  -4.288   3.920
   99   3HG1  VAL  29          3HG1      VAL  29   8.671  -5.225   2.914
  100   1HG2  VAL  29          1HG2      VAL  29   6.775  -6.183   1.482
  101   2HG2  VAL  29          2HG2      VAL  29   5.534  -5.305   2.410
  102   3HG2  VAL  29          3HG2      VAL  29   5.637  -5.111   0.641
  103    H    CYS  30           H        CYS  30   4.213  -2.496   0.726
  104    HA   CYS  30           HA       CYS  30   4.837  -1.776  -2.112
  105   1HB   CYS  30          1HB       CYS  30   2.768  -3.073  -1.541
  106   2HB   CYS  30          2HB       CYS  30   2.204  -1.756  -0.507
  107    H    CYS  31           H        CYS  31   3.846  -0.191   0.796
  108    HA   CYS  31           HA       CYS  31   3.837   2.606  -0.251
  109   1HB   CYS  31          1HB       CYS  31   4.055   1.990   2.733
  110   2HB   CYS  31          2HB       CYS  31   3.311   3.362   1.939
  111    H    TYR  32           H        TYR  32   6.070   0.818   1.922
  112    HA   TYR  32           HA       TYR  32   8.150   3.056   1.578
  113   1HB   TYR  32          1HB       TYR  32   7.972   1.446   4.150
  114   2HB   TYR  32          2HB       TYR  32   8.735   2.971   3.851
  115    HD1  TYR  32           HD1      TYR  32   6.908   4.943   3.082
  116    HD2  TYR  32           HD2      TYR  32   5.942   1.432   5.382
  117    HE1  TYR  32           HE1      TYR  32   4.858   6.028   3.902
  118    HE2  TYR  32           HE2      TYR  32   3.907   2.522   6.181
  119    HH   TYR  32           HH       TYR  32   2.639   4.325   6.120
  120    HA   PRO  33           HA       PRO  33   9.839  -1.107   0.170
  121   1HB   PRO  33          1HB       PRO  33  11.199  -0.352  -2.115
  122   2HB   PRO  33          2HB       PRO  33   9.444  -0.554  -2.019
  123   1HG   PRO  33          1HG       PRO  33  11.018   2.062  -1.808
  124   2HG   PRO  33          2HG       PRO  33   9.604   1.719  -2.833
  125   1HD   PRO  33          1HD       PRO  33   9.351   2.990  -0.393
  126   2HD   PRO  33          2HD       PRO  33   8.096   1.852  -0.971
  127   1HN   NH2  34          1HN       NH2  34  13.166  -1.139   1.516
  128   2HN   NH2  34          2HN       NH2  34  11.559  -1.973   1.219
  Start of MODEL   10
    1   1H    ACE  12          1H        ACE  12  -7.843  -3.406  -0.778
    2   2H    ACE  12          2H        ACE  12  -8.062  -5.045  -1.423
    3   3H    ACE  12          3H        ACE  12  -6.812  -3.989  -2.118
    4    HA   PRO  13           HA       PRO  13  -6.726  -1.731  -2.865
    5   1HB   PRO  13          1HB       PRO  13  -7.408   0.757  -3.830
    6   2HB   PRO  13          2HB       PRO  13  -7.169  -0.640  -4.896
    7   1HG   PRO  13          1HG       PRO  13  -9.801   0.455  -3.785
    8   2HG   PRO  13          2HG       PRO  13  -9.393   0.136  -5.489
    9   1HD   PRO  13          1HD       PRO  13 -10.766  -1.733  -3.921
   10   2HD   PRO  13          2HD       PRO  13  -9.604  -2.271  -5.174
   11    H    CYS  14           H        CYS  14  -5.965  -0.052  -1.515
   12    HA   CYS  14           HA       CYS  14  -7.714   0.628   0.869
   13   1HB   CYS  14          1HB       CYS  14  -4.728   0.817   0.676
   14   2HB   CYS  14          2HB       CYS  14  -5.721   1.215   2.092
   15    H    GLY  15           H        GLY  15  -6.091   2.242  -1.728
   16   1HA   GLY  15          1HA       GLY  15  -6.059   4.535  -2.408
   17   2HA   GLY  15          2HA       GLY  15  -7.215   4.896  -1.134
   18    H    SER  16           H        SER  16  -6.347   5.203   0.991
   19    HA   SER  16           HA       SER  16  -4.295   7.299   0.668
   20   1HB   SER  16          1HB       SER  16  -6.062   6.696   3.114
   21   2HB   SER  16          2HB       SER  16  -5.046   8.127   2.930
   22    HG   SER  16           HG       SER  16  -7.185   8.468   2.294
   23    H    TYR  17           H        TYR  17  -4.189   4.380   2.525
   24    HA   TYR  17           HA       TYR  17  -1.579   5.314   3.815
   25   1HB   TYR  17          1HB       TYR  17  -1.737   4.064   5.581
   26   2HB   TYR  17          2HB       TYR  17  -3.424   4.183   5.282
   27    HD1  TYR  17           HD1      TYR  17  -0.619   1.951   5.738
   28    HD2  TYR  17           HD2      TYR  17  -4.586   2.091   4.074
   29    HE1  TYR  17           HE1      TYR  17  -0.768  -0.499   5.870
   30    HE2  TYR  17           HE2      TYR  17  -4.699  -0.379   4.195
   31    HH   TYR  17           HH       TYR  17  -2.039  -2.280   5.581
   32    H    CYS  18           H        CYS  18  -2.358   3.766   0.988
   33    HA   CYS  18           HA       CYS  18   0.468   2.901   0.653
   34   1HB   CYS  18          1HB       CYS  18  -1.093   0.748   1.528
   35   2HB   CYS  18          2HB       CYS  18  -1.262   0.530  -0.223
   36    HA   PRO  19           HA       PRO  19  -0.661   3.456  -3.945
   37   1HB   PRO  19          1HB       PRO  19   1.797   1.693  -4.181
   38   2HB   PRO  19          2HB       PRO  19   1.373   3.165  -5.066
   39   1HG   PRO  19          1HG       PRO  19   3.272   3.239  -3.112
   40   2HG   PRO  19          2HG       PRO  19   2.107   4.578  -3.249
   41   1HD   PRO  19          1HD       PRO  19   1.992   2.188  -1.315
   42   2HD   PRO  19          2HD       PRO  19   1.761   3.931  -0.958
   43    H    SER  20           H        SER  20  -2.474   2.323  -3.923
   44    HA   SER  20           HA       SER  20  -2.543  -0.679  -3.556
   45   1HB   SER  20          1HB       SER  20  -4.933  -0.454  -3.596
   46   2HB   SER  20          2HB       SER  20  -4.190   0.628  -2.415
   47    HG   SER  20           HG       SER  20  -5.083   1.349  -5.018
   48    H    VAL  21           H        VAL  21  -1.467   0.786  -6.000
   49    HA   VAL  21           HA       VAL  21  -2.529  -1.189  -8.073
   50    HB   VAL  21           HB       VAL  21  -0.054   0.620  -8.302
   51   1HG1  VAL  21          1HG1      VAL  21   0.019  -0.020 -10.729
   52   2HG1  VAL  21          2HG1      VAL  21   0.279  -1.429  -9.696
   53   3HG1  VAL  21          3HG1      VAL  21  -1.300  -1.193 -10.477
   54   1HG2  VAL  21          1HG2      VAL  21  -2.145   1.991  -8.470
   55   2HG2  VAL  21          2HG2      VAL  21  -1.343   1.895 -10.043
   56   3HG2  VAL  21          3HG2      VAL  21  -2.790   0.901  -9.717
   57    H    CYS  22           H        CYS  22   0.034  -0.818  -5.793
   58    HA   CYS  22           HA       CYS  22   1.068  -3.662  -6.059
   59   1HB   CYS  22          1HB       CYS  22   2.610  -1.757  -5.573
   60   2HB   CYS  22          2HB       CYS  22   1.734  -1.374  -4.101
   61    H    ALA  23           H        ALA  23  -1.918  -2.678  -5.037
   62    HA   ALA  23           HA       ALA  23  -2.655  -3.889  -2.695
   63   1HB   ALA  23          1HB       ALA  23  -4.175  -2.743  -4.217
   64   2HB   ALA  23          2HB       ALA  23  -3.789  -3.806  -5.605
   65   3HB   ALA  23          3HB       ALA  23  -4.783  -4.390  -4.286
   66    HA   PRO  24           HA       PRO  24  -4.546  -4.982  -2.315
   67   1HB   PRO  24          1HB       PRO  24  -6.331  -7.003  -1.784
   68   2HB   PRO  24          2HB       PRO  24  -5.918  -6.620  -3.464
   69   1HG   PRO  24          1HG       PRO  24  -4.777  -8.873  -1.721
   70   2HG   PRO  24          2HG       PRO  24  -5.395  -8.983  -3.386
   71   1HD   PRO  24          1HD       PRO  24  -2.649  -8.611  -2.652
   72   2HD   PRO  24          2HD       PRO  24  -3.330  -8.276  -4.267
   73    H    ALA  25           H        ALA  25  -2.244  -6.562  -0.628
   74    HA   ALA  25           HA       ALA  25  -3.558  -6.321   2.046
   75   1HB   ALA  25          1HB       ALA  25  -1.261  -6.597   3.013
   76   2HB   ALA  25          2HB       ALA  25  -1.646  -7.886   1.853
   77   3HB   ALA  25          3HB       ALA  25  -0.569  -6.541   1.373
   78    H    CYS  26           H        CYS  26  -2.101  -3.974  -0.086
   79    HA   CYS  26           HA       CYS  26  -1.337  -1.856   0.142
   80   1HB   CYS  26          1HB       CYS  26  -3.266  -1.596   2.536
   81   2HB   CYS  26          2HB       CYS  26  -2.890  -0.358   1.347
   82    H    ALA  27           H        ALA  27   0.484  -3.324   0.926
   83    HA   ALA  27           HA       ALA  27   0.967  -3.550   3.793
   84   1HB   ALA  27          1HB       ALA  27   2.725  -5.185   3.022
   85   2HB   ALA  27          2HB       ALA  27   1.190  -5.405   2.164
   86   3HB   ALA  27          3HB       ALA  27   2.549  -4.591   1.350
   87    HA   PRO  28           HA       PRO  28   4.392  -0.547   4.711
   88   1HB   PRO  28          1HB       PRO  28   5.828  -3.070   5.747
   89   2HB   PRO  28          2HB       PRO  28   5.751  -1.463   6.500
   90   1HG   PRO  28          1HG       PRO  28   4.112  -3.409   7.404
   91   2HG   PRO  28          2HG       PRO  28   3.418  -1.793   7.134
   92   1HD   PRO  28          1HD       PRO  28   3.184  -4.264   5.347
   93   2HD   PRO  28          2HD       PRO  28   1.944  -3.040   5.759
   94    H    VAL  29           H        VAL  29   5.092  -3.132   2.574
   95    HA   VAL  29           HA       VAL  29   7.570  -1.655   1.613
   96    HB   VAL  29           HB       VAL  29   6.903  -4.613   1.066
   97   1HG1  VAL  29          1HG1      VAL  29   9.408  -3.049   0.156
   98   2HG1  VAL  29          2HG1      VAL  29   9.188  -4.811   0.017
   99   3HG1  VAL  29          3HG1      VAL  29   8.143  -3.721  -0.901
  100   1HG2  VAL  29          1HG2      VAL  29   9.189  -3.444   2.793
  101   2HG2  VAL  29          2HG2      VAL  29   7.767  -4.317   3.405
  102   3HG2  VAL  29          3HG2      VAL  29   8.957  -5.170   2.415
  103    H    CYS  30           H        CYS  30   4.411  -2.522   0.612
  104    HA   CYS  30           HA       CYS  30   4.597  -1.252  -2.099
  105   1HB   CYS  30          1HB       CYS  30   2.196  -1.745  -0.235
  106   2HB   CYS  30          2HB       CYS  30   2.077  -1.017  -1.829
  107    H    CYS  31           H        CYS  31   3.710  -0.354   1.123
  108    HA   CYS  31           HA       CYS  31   3.342   2.575   0.573
  109   1HB   CYS  31          1HB       CYS  31   3.453   1.512   3.441
  110   2HB   CYS  31          2HB       CYS  31   2.439   2.778   2.743
  111    H    TYR  32           H        TYR  32   4.622   4.237   1.407
  112    HA   TYR  32           HA       TYR  32   6.597   5.353   1.997
  113   1HB   TYR  32          1HB       TYR  32   7.307   4.965   4.375
  114   2HB   TYR  32          2HB       TYR  32   5.693   5.452   4.023
  115    HD1  TYR  32           HD1      TYR  32   7.684   2.384   5.109
  116    HD2  TYR  32           HD2      TYR  32   3.777   4.197   4.805
  117    HE1  TYR  32           HE1      TYR  32   6.797   0.781   6.711
  118    HE2  TYR  32           HE2      TYR  32   2.916   2.579   6.408
  119    HH   TYR  32           HH       TYR  32   5.027   0.093   7.854
  120    HA   PRO  33           HA       PRO  33   9.815   2.262   0.600
  121   1HB   PRO  33          1HB       PRO  33  10.764   3.531  -1.672
  122   2HB   PRO  33          2HB       PRO  33   9.271   2.583  -1.611
  123   1HG   PRO  33          1HG       PRO  33   9.553   5.624  -1.419
  124   2HG   PRO  33          2HG       PRO  33   8.437   4.695  -2.444
  125   1HD   PRO  33          1HD       PRO  33   7.658   5.769  -0.012
  126   2HD   PRO  33          2HD       PRO  33   6.977   4.224  -0.608
  127   1HN   NH2  34          1HN       NH2  34  11.695   2.256   1.732
  128   2HN   NH2  34          2HN       NH2  34  12.757   3.711   2.074