*HEADER   CHAPERONIN                              30-JUN-97   1EGS    
*TITLE    NMR STRUCTURE OF GROES MOBILE LOOP RESIDUES 19 - 27 IN THE  
*TITLE   2 SYNTHETIC PEPTIDE (RESIDUES 13 - 32) BOUND TO GROEL, 20    
*TITLE   3 STRUCTURES                                                 
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: GROES;                                           
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: MOBILE LOOP;                                     
*COMPND  5 SYNONYM: 10 KD CHAPERONIN, PROTEIN CPN10;                  
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 BIOLOGICAL_UNIT: HOMOHEPTAMER                              
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: GROES 13 - 32, ACETYLATED, AMIDATED;            
*SOURCE  3 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  4 PLASMID: POF39;                                            
*SOURCE  5 GENE: GROES                                                
*KEYWDS   CHAPERONIN, PROTEIN FOLDING, HEAT SHOCK, NMR                
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   S.J.LANDRY                                                  
*REVDAT  1   17-SEP-97 1EGS    0                                      

!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_10:HD1*   1:LEU_10:HD2*   1:LEU_10:CD1    1:LEU_10:CD2    1:LEU_10:CG    
!
#chiral
1:THR_2:CA         S
1:THR_2:CB         R
1:LYS+_3:CA        S
1:SER_4:CA         S
1:ALA_5:CA         S
1:ILE_8:CA         S
1:ILE_8:CB         S
1:VAL_9:CA         S
1:LEU_10:CA        S
!
#NOE_distance
1:SER_4:HN        1:SER_4:HB*          1.800     3.08      3.08      30.00     30.00  1000.000     0.000
1:GLY_6:HN        1:GLY_6:HA*          1.800     2.55      2.55      30.00     30.00  1000.000     0.000
1:GLY_7:HN        1:GLY_7:HA*          1.800     2.22      2.22      30.00     30.00  1000.000     0.000
1:ILE_8:HN        1:GLY_7:HA*          1.800     3.34      3.34      30.00     30.00  1000.000     0.000
1:LEU_10:HN       1:VAL_9:HA           1.800     1.846     1.846     30.00     30.00  1000.000     0.000
1:VAL_9:HN        1:VAL_9:HA           1.800     2.762     2.762     30.00     30.00  1000.000     0.000
1:VAL_9:HN        1:ILE_8:HA           1.800     2.044     2.044     30.00     30.00  1000.000     0.000
1:LYS+_3:HN       1:THR_2:HB           1.800     3.389     3.389     30.00     30.00  1000.000     0.000
1:LYS+_3:HN       1:THR_2:HA           1.800     2.108     2.108     30.00     30.00  1000.000     0.000
1:THR_2:HN        1:THR_2:HA           1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:SER_4:HN        1:SER_4:HA           1.800     3.392     3.392     30.00     30.00  1000.000     0.000
1:SER_4:HN        1:LYS+_3:HA          1.800     2.301     2.301     30.00     30.00  1000.000     0.000
1:LEU_10:HN       1:LEU_10:HA          1.800     2.573     2.573     30.00     30.00  1000.000     0.000
1:ALA_5:HN        1:SER_4:HA           1.800     2.439     2.439     30.00     30.00  1000.000     0.000
1:GLY_6:HN        1:ALA_5:HA           1.800     2.281     2.281     30.00     30.00  1000.000     0.000
1:LEU_10:HN       1:LEU_10:HD1*        1.800     3.75      3.75      30.00     30.00  1000.000     0.000
1:SER_4:HN        1:ILE_8:HD1*         1.800     6.02      6.02      30.00     30.00  1000.000     0.000
1:VAL_9:HN        1:VAL_9:HG*          1.800     4.07      4.07      30.00     30.00  1000.000     0.000
1:ILE_8:HN        1:ILE_8:HD1*         1.800     5.93      5.93      30.00     30.00  1000.000     0.000
1:ILE_8:HN        1:ILE_8:HG12         1.800     3.013     3.013     30.00     30.00  1000.000     0.000
1:ILE_8:HN        1:ILE_8:HB           1.800     2.174     2.174     30.00     30.00  1000.000     0.000
1:LEU_10:HN       1:LEU_10:HG          1.800     2.491     2.491     30.00     30.00  1000.000     0.000
1:GLY_6:HN        1:ALA_5:HB*          1.800     6.02      6.02      30.00     30.00  1000.000     0.000
1:THR_2:HN        1:THR_2:HG2*         1.800     5.92      5.92      30.00     30.00  1000.000     0.000
1:SER_4:HN        1:LYS+_3:HG1         1.800     3.058     3.058     30.00     30.00  1000.000     0.000
1:ALA_5:HN        1:ALA_5:HB*          1.800     2.74      2.74      30.00     30.00  1000.000     0.000
1:SER_4:HN        1:LEU_10:HB*         1.800     5.87      5.87      30.00     30.00  1000.000     0.000
1:VAL_9:HN        1:VAL_9:HB           1.800     2.219     2.219     30.00     30.00  1000.000     0.000
1:LYS+_3:HN       1:LYS+_3:HB2         1.800     2.547     2.547     30.00     30.00  1000.000     0.000
1:SER_4:HN        1:LYS+_3:HB2         1.800     2.739     2.739     30.00     30.00  1000.000     0.000
1:LEU_10:HA       1:LEU_10:HD1*        1.800     3.33      3.33      30.00     30.00  1000.000     0.000
1:LEU_10:HA       1:LEU_10:HD2*        1.800     5.15      5.15      30.00     30.00  1000.000     0.000
1:ILE_8:HA        1:ILE_8:HD1*         1.800     3.06      3.06      30.00     30.00  1000.000     0.000
1:ILE_8:HA        1:ILE_8:HG2*         1.800     4.30      4.30      30.00     30.00  1000.000     0.000
1:VAL_9:HA        1:VAL_9:HG*          1.800     2.63      2.63      30.00     30.00  1000.000     0.000
1:SER_4:HB*       1:ILE_8:HD1*         1.800     5.88      5.88      30.00     30.00  1000.000     0.000
1:SER_4:HB*       1:ILE_8:HG2*         1.800     5.88      5.88      30.00     30.00  1000.000     0.000
1:THR_2:HA        1:THR_2:HG2*         1.800     3.81      3.81      30.00     30.00  1000.000     0.000
1:THR_2:HB        1:THR_2:HG2*         1.800     2.59      2.59      30.00     30.00  1000.000     0.000
1:VAL_9:HA        1:LYS+_3:HG2         1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:LEU_10:HA       1:LEU_10:HG          1.800     2.319     2.319     30.00     30.00  1000.000     0.000
1:LEU_10:HA       1:LEU_10:HB*         1.800     2.87      2.87      30.00     30.00  1000.000     0.000
1:LYS+_3:HA       1:VAL_9:HG*          1.800     7.32      7.32      30.00     30.00  1000.000     0.000
1:LYS+_3:HA       1:LYS+_3:HB2         1.800     2.667     2.667     30.00     30.00  1000.000     0.000
1:ILE_8:HA        1:ILE_8:HB           1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:VAL_9:HA        1:VAL_9:HB           1.800     3.718     3.718     30.00     30.00  1000.000     0.000
1:LYS+_3:HA       1:LYS+_3:HD2         1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:LEU_10:HN       1:LEU_10:HD2*        1.800     3.18      3.18      30.00     30.00  1000.000     0.000
1:ILE_8:HN        1:ILE_8:HG2*         1.800     5.92      5.92      30.00     30.00  1000.000     0.000
1:GLY_7:HA*       1:ILE_8:HD1*         1.800     5.88      5.88      30.00     30.00  1000.000     0.000
1:ALA_5:HA        1:ALA_5:HB*          1.800     2.50      2.50      30.00     30.00  1000.000     0.000
1:VAL_9:HA        1:LYS+_3:HD2         1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:GLY_7:HA*       1:LYS+_3:HG1         1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:GLY_7:HA*       1:LYS+_3:HB2         1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:ILE_8:HA        1:ILE_8:HG12         1.800     2.721     2.721     30.00     30.00  1000.000     0.000
1:SER_4:HA        1:SER_4:HB*          1.800     2.60      2.60      30.00     30.00  1000.000     0.000
1:LYS+_3:HA       1:VAL_9:HA           1.800     3.161     3.161     30.00     30.00  1000.000     0.000
1:THR_2:HA        1:THR_2:HB           1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:GLY_7:HN        1:ILE_8:HN           1.800     2.597     2.597     30.00     30.00  1000.000     0.000
1:VAL_9:HN        1:ILE_8:HN           1.800     3.187     3.187     30.00     30.00  1000.000     0.000
1:LEU_10:HN       1:VAL_9:HN           1.800     2.862     2.862     30.00     30.00  1000.000     0.000
1:LYS+_3:HE*      1:VAL_9:HG*          1.800     8.19      8.19      30.00     30.00  1000.000     0.000
1:LYS+_3:HE*      1:LYS+_3:HD1         1.800     5.87      5.87      30.00     30.00  1000.000     0.000
1:VAL_9:HB        1:VAL_9:HG*          1.800     2.44      2.44      30.00     30.00  1000.000     0.000
1:ILE_8:HB        1:ILE_8:HD1*         1.800     3.66      3.66      30.00     30.00  1000.000     0.000
1:ILE_8:HB        1:ILE_8:HG11         1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:LYS+_3:HB1      1:LYS+_3:HG1         1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:LYS+_3:HD2      1:LYS+_3:HG1         1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:LEU_10:HB*      1:LEU_10:HD2*        1.800     3.30      3.30      30.00     30.00  1000.000     0.000
1:LEU_10:HB*      1:LEU_10:HD1*        1.800     3.57      3.57      30.00     30.00  1000.000     0.000
1:LEU_10:HG       1:LEU_10:HD1*        1.800     2.41      2.41      30.00     30.00  1000.000     0.000
1:LEU_10:HG       1:LEU_10:HD2*        1.800     2.71      2.71      30.00     30.00  1000.000     0.000
1:ILE_8:HG11      1:ILE_8:HG2*         1.800     5.74      5.74      30.00     30.00  1000.000     0.000
1:ILE_8:HG12      1:ILE_8:HD1*         1.800     2.36      2.36      30.00     30.00  1000.000     0.000
1:GLY_7:HA*       1:LYS+_3:HD1         1.800     5.87      5.87      30.00     30.00  1000.000     0.000
1:ILE_8:HN        1:ILE_8:HA           1.800     2.772     2.772     30.00     30.00  1000.000     0.000
1:LEU_10:HN       1:LEU_10:HB*         1.800     2.68      2.68      30.00     30.00  1000.000     0.000
1:ILE_8:HN        1:ILE_8:HG11         1.800     2.941     2.941     30.00     30.00  1000.000     0.000
1:ILE_8:HA        1:ILE_8:HG11         1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:ILE_8:HB        1:ILE_8:HG12         1.800     5.000     5.000     30.00     30.00  1000.000     0.000
1:LYS+_3:HD2      1:LYS+_3:HG2         1.800     2.242     2.242     30.00     30.00  1000.000     0.000
1:LYS+_3:HB1      1:LYS+_3:HG2         1.800     2.290     2.290     30.00     30.00  1000.000     0.000
1:LYS+_3:HN       1:LYS+_3:HB1         1.800     2.381     2.381     30.00     30.00  1000.000     0.000
1:LYS+_3:HA       1:LYS+_3:HB1         1.800     3.087     3.087     30.00     30.00  1000.000     0.000
!
#mixing_times
7.500000E+01 1.500000E+02 3.000000E+02 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE   1          1HA       ACE   1   1.665  -6.191   2.584
    2   2H    ACE   1          2HA       ACE   1   2.393  -6.110   4.215
    3   3H    ACE   1          3HA       ACE   1   3.300  -6.857   2.868
    4    H    THR   2           H        THR   2   3.266  -5.320   0.898
    5    HA   THR   2           HA       THR   2   4.651  -2.723   1.730
    6    HB   THR   2           HB       THR   2   5.351  -2.553  -0.712
    7    HG1  THR   2           HG1      THR   2   4.301  -5.189  -0.776
    8   1HG2  THR   2          1HG2      THR   2   6.998  -3.541   0.872
    9   2HG2  THR   2          3HG2      THR   2   6.303  -5.162   0.601
   10   3HG2  THR   2          2HG2      THR   2   7.099  -4.297  -0.741
   11    H    LYS   3           H        LYS   3   3.531  -0.868   1.623
   12    HA   LYS   3           HA       LYS   3   0.959  -0.605   0.199
   13   1HB   LYS   3          1HB       LYS   3   2.408   0.059   2.813
   14   2HB   LYS   3          2HB       LYS   3   1.718   1.398   2.024
   15   1HG   LYS   3          1HG       LYS   3  -0.550   0.061   2.028
   16   2HG   LYS   3          2HG       LYS   3   0.369  -1.164   2.941
   17   1HD   LYS   3          2HD       LYS   3   0.772   0.228   4.789
   18   2HD   LYS   3          1HD       LYS   3   0.101   1.668   4.022
   19   1HE   LYS   3          1HE       LYS   3  -1.607   1.060   5.476
   20   2HE   LYS   3          2HE       LYS   3  -2.203   0.401   3.960
   21   1HZ   LYS   3          2HZ       LYS   3  -0.824  -1.147   6.117
   22   2HZ   LYS   3          3HZ       LYS   3  -2.443  -1.170   5.787
   23   3HZ   LYS   3          1HZ       LYS   3  -1.370  -1.800   4.701
   24    H    SER   4           H        SER   4   0.416   1.577  -0.499
   25    HA   SER   4           HA       SER   4   2.486   2.782  -2.387
   26   1HB   SER   4          2HB       SER   4   0.561   3.927  -3.360
   27   2HB   SER   4          1HB       SER   4   0.056   2.249  -3.130
   28    HG   SER   4           HG       SER   4  -0.406   4.433  -1.382
   29    H    ALA   5           H        ALA   5   2.676   5.219  -2.415
   30    HA   ALA   5           HA       ALA   5   3.181   6.472   0.217
   31   1HB   ALA   5          3HB       ALA   5   4.500   7.047  -1.792
   32   2HB   ALA   5          2HB       ALA   5   3.040   7.654  -2.620
   33   3HB   ALA   5          1HB       ALA   5   3.664   8.498  -1.177
   34    H    GLY   6           H        GLY   6   1.337   6.409   1.366
   35   1HA   GLY   6          2HA       GLY   6  -1.013   7.644   1.688
   36   2HA   GLY   6          1HA       GLY   6  -1.354   6.893   0.106
   37    H    GLY   7           H        GLY   7  -0.759   4.479   0.052
   38   1HA   GLY   7          1HA       GLY   7  -0.046   2.635   1.177
   39   2HA   GLY   7          2HA       GLY   7  -1.010   3.014   2.610
   40    H    ILE   8           H        ILE   8  -1.597   2.223  -0.863
   41    HA   ILE   8           HA       ILE   8  -4.140   1.184  -0.299
   42    HB   ILE   8           HB       ILE   8  -2.481   1.707  -2.807
   43   1HG1  ILE   8          2HG1      ILE   8  -2.992   3.627  -1.393
   44   2HG1  ILE   8          1HG1      ILE   8  -3.383   3.764  -3.034
   45   1HG2  ILE   8          2HG2      ILE   8  -4.179   0.047  -3.598
   46   2HG2  ILE   8          1HG2      ILE   8  -5.478   1.070  -2.938
   47   3HG2  ILE   8          3HG2      ILE   8  -4.467   1.645  -4.290
   48   1HD1  ILE   8          1HD1      ILE   8  -5.084   3.345  -0.517
   49   2HD1  ILE   8          2HD1      ILE   8  -4.856   4.914  -1.382
   50   3HD1  ILE   8          3HD1      ILE   8  -5.837   3.567  -2.143
   51    H    VAL   9           H        VAL   9  -2.775  -0.307   0.862
   52    HA   VAL   9           HA       VAL   9  -1.422  -2.155   0.963
   53    HB   VAL   9           HB       VAL   9  -3.017  -1.716   2.770
   54   1HG1  VAL   9          3HG2      VAL   9  -5.125  -2.636   1.826
   55   2HG1  VAL   9          2HG2      VAL   9  -4.476  -4.289   1.960
   56   3HG1  VAL   9          1HG2      VAL   9  -4.768  -3.307   3.445
   57   1HG2  VAL   9          3HG1      VAL   9  -0.982  -3.043   3.098
   58   2HG2  VAL   9          2HG1      VAL   9  -2.268  -3.637   4.162
   59   3HG2  VAL   9          1HG1      VAL   9  -1.829  -4.536   2.665
   60    H    LEU  10           H        LEU  10  -1.101  -2.424  -1.046
   61    HA   LEU  10           HA       LEU  10  -2.186  -3.690  -2.960
   62   1HB   LEU  10          2HB       LEU  10   0.775  -3.520  -2.335
   63   2HB   LEU  10          1HB       LEU  10   0.206  -3.848  -3.944
   64    HG   LEU  10           HG       LEU  10  -1.008  -1.413  -2.626
   65   1HD1  LEU  10          2HD2      LEU  10   1.316  -1.177  -1.937
   66   2HD1  LEU  10          1HD2      LEU  10   1.831  -1.185  -3.644
   67   3HD1  LEU  10          3HD2      LEU  10   0.774   0.130  -2.992
   68   1HD2  LEU  10          1HD1      LEU  10  -1.823  -1.974  -4.764
   69   2HD2  LEU  10          2HD1      LEU  10  -1.113  -0.345  -4.704
   70   3HD2  LEU  10          3HD1      LEU  10  -0.194  -1.703  -5.482
   71   1HN   NH2  11          1HN       NH2  11  -0.498  -7.339  -1.768
   72   2HN   NH2  11          2HN       NH2  11   0.050  -5.799  -0.934
   
  Start of MODEL    2
    1   1H    ACE   1          1HA       ACE   1   3.988  -7.430   0.904
    2   2H    ACE   1          2HA       ACE   1   2.374  -6.988   1.534
    3   3H    ACE   1          3HA       ACE   1   3.619  -7.637   2.641
    4    H    THR   2           H        THR   2   3.332  -5.132   0.185
    5    HA   THR   2           HA       THR   2   4.317  -2.974   2.112
    6    HB   THR   2           HB       THR   2   5.286  -3.009  -0.797
    7    HG1  THR   2           HG1      THR   2   7.213  -3.969  -0.046
    8   1HG2  THR   2          1HG2      THR   2   5.699  -0.897   0.464
    9   2HG2  THR   2          3HG2      THR   2   6.605  -1.804   1.705
   10   3HG2  THR   2          2HG2      THR   2   7.233  -1.704   0.038
   11    H    LYS   3           H        LYS   3   3.696  -0.913   1.580
   12    HA   LYS   3           HA       LYS   3   0.958  -0.657   0.417
   13   1HB   LYS   3          1HB       LYS   3   2.647   0.144   2.868
   14   2HB   LYS   3          2HB       LYS   3   1.950   1.415   2.046
   15   1HG   LYS   3          2HG       LYS   3   0.539   0.780   3.846
   16   2HG   LYS   3          1HG       LYS   3  -0.331   0.317   2.398
   17   1HD   LYS   3          2HD       LYS   3  -0.705  -1.249   4.032
   18   2HD   LYS   3          1HD       LYS   3   0.314  -2.096   2.860
   19   1HE   LYS   3          2HE       LYS   3   2.272  -1.814   4.509
   20   2HE   LYS   3          1HE       LYS   3   1.167  -1.017   5.643
   21   1HZ   LYS   3          3HZ       LYS   3  -0.182  -3.057   5.664
   22   2HZ   LYS   3          2HZ       LYS   3   0.849  -3.798   4.607
   23   3HZ   LYS   3          1HZ       LYS   3   1.372  -3.387   6.119
   24    H    SER   4           H        SER   4   0.431   1.512  -0.326
   25    HA   SER   4           HA       SER   4   2.376   2.633  -2.415
   26   1HB   SER   4          2HB       SER   4   0.099   2.002  -3.191
   27   2HB   SER   4          1HB       SER   4  -0.629   3.085  -1.976
   28    HG   SER   4           HG       SER   4  -0.405   4.051  -4.012
   29    H    ALA   5           H        ALA   5   2.435   5.076  -2.567
   30    HA   ALA   5           HA       ALA   5   3.130   6.406  -0.031
   31   1HB   ALA   5          1HB       ALA   5   4.245   6.950  -2.167
   32   2HB   ALA   5          3HB       ALA   5   2.706   7.524  -2.866
   33   3HB   ALA   5          2HB       ALA   5   3.453   8.406  -1.507
   34    H    GLY   6           H        GLY   6   1.429   6.412   1.306
   35   1HA   GLY   6          1HA       GLY   6  -0.863   7.601   1.874
   36   2HA   GLY   6          2HA       GLY   6  -1.394   6.893   0.328
   37    H    GLY   7           H        GLY   7  -0.823   4.464   0.162
   38   1HA   GLY   7          1HA       GLY   7  -0.004   2.617   1.259
   39   2HA   GLY   7          2HA       GLY   7  -0.968   2.946   2.710
   40    H    ILE   8           H        ILE   8  -1.498   2.269  -0.778
   41    HA   ILE   8           HA       ILE   8  -4.126   1.433  -0.343
   42    HB   ILE   8           HB       ILE   8  -2.373   1.898  -2.777
   43   1HG1  ILE   8          2HG1      ILE   8  -2.665   3.797  -1.319
   44   2HG1  ILE   8          1HG1      ILE   8  -3.071   4.040  -2.944
   45   1HG2  ILE   8          1HG2      ILE   8  -4.239   0.419  -3.585
   46   2HG2  ILE   8          2HG2      ILE   8  -5.417   1.592  -2.948
   47   3HG2  ILE   8          3HG2      ILE   8  -4.321   2.050  -4.279
   48   1HD1  ILE   8          1HD1      ILE   8  -4.844   3.707  -0.447
   49   2HD1  ILE   8          2HD1      ILE   8  -4.460   5.275  -1.248
   50   3HD1  ILE   8          3HD1      ILE   8  -5.540   4.054  -2.067
   51    H    VAL   9           H        VAL   9  -3.062  -0.228   0.794
   52    HA   VAL   9           HA       VAL   9  -1.826  -2.150   0.932
   53    HB   VAL   9           HB       VAL   9  -3.596  -1.723   2.571
   54   1HG1  VAL   9          1HG2      VAL   9  -5.626  -2.446   1.331
   55   2HG1  VAL   9          2HG2      VAL   9  -5.096  -4.143   1.431
   56   3HG1  VAL   9          3HG2      VAL   9  -5.508  -3.231   2.933
   57   1HG2  VAL   9          1HG1      VAL   9  -1.695  -3.215   3.037
   58   2HG2  VAL   9          3HG1      VAL   9  -3.133  -3.750   3.922
   59   3HG2  VAL   9          2HG1      VAL   9  -2.595  -4.613   2.436
   60    H    LEU  10           H        LEU  10  -1.379  -2.308  -1.081
   61    HA   LEU  10           HA       LEU  10  -1.928  -3.268  -3.159
   62   1HB   LEU  10          1HB       LEU  10   0.707  -3.470  -2.191
   63   2HB   LEU  10          2HB       LEU  10   0.211  -3.571  -3.895
   64    HG   LEU  10           HG       LEU  10  -0.635  -1.197  -2.226
   65   1HD1  LEU  10          3HD1      LEU  10   1.758  -1.400  -2.159
   66   2HD1  LEU  10          1HD1      LEU  10   1.798  -1.450  -3.984
   67   3HD1  LEU  10          2HD1      LEU  10   1.221   0.044  -3.078
   68   1HD2  LEU  10          2HD2      LEU  10  -1.978  -1.424  -4.149
   69   2HD2  LEU  10          3HD2      LEU  10  -1.027   0.068  -4.166
   70   3HD2  LEU  10          1HD2      LEU  10  -0.546  -1.368  -5.217
   71   1HN   NH2  11          1HN       NH2  11  -2.166  -6.931  -3.534
   72   2HN   NH2  11          2HN       NH2  11  -2.840  -5.266  -3.909
   
  Start of MODEL    3
    1   1H    ACE   1          1HA       ACE   1   1.903  -7.525  -0.228
    2   2H    ACE   1          2HA       ACE   1   2.699  -6.661  -1.576
    3   3H    ACE   1          3HA       ACE   1   3.674  -7.640  -0.442
    4    H    THR   2           H        THR   2   4.625  -5.347  -0.718
    5    HA   THR   2           HA       THR   2   4.020  -3.783   1.837
    6    HB   THR   2           HB       THR   2   6.180  -2.537   1.346
    7    HG1  THR   2           HG1      THR   2   7.536  -3.489  -0.197
    8   1HG2  THR   2          2HG2      THR   2   6.317  -4.445   2.937
    9   2HG2  THR   2          3HG2      THR   2   6.613  -5.569   1.583
   10   3HG2  THR   2          1HG2      THR   2   7.803  -4.295   1.962
   11    H    LYS   3           H        LYS   3   2.825  -1.983   1.668
   12    HA   LYS   3           HA       LYS   3   1.622  -1.127  -0.462
   13   1HB   LYS   3          2HB       LYS   3   0.448  -0.242   1.198
   14   2HB   LYS   3          1HB       LYS   3   1.368  -1.147   2.254
   15   1HG   LYS   3          2HG       LYS   3   2.744   0.650   2.930
   16   2HG   LYS   3          1HG       LYS   3   2.002   1.795   1.768
   17   1HD   LYS   3          1HD       LYS   3  -0.182   1.385   3.117
   18   2HD   LYS   3          2HD       LYS   3   0.793   0.412   4.223
   19   1HE   LYS   3          1HE       LYS   3   1.391   3.404   3.693
   20   2HE   LYS   3          2HE       LYS   3   0.217   2.868   4.884
   21   1HZ   LYS   3          1HZ       LYS   3   1.967   1.654   6.050
   22   2HZ   LYS   3          3HZ       LYS   3   3.098   2.135   4.946
   23   3HZ   LYS   3          2HZ       LYS   3   2.355   3.253   5.909
   24    H    SER   4           H        SER   4   1.180   1.062  -1.143
   25    HA   SER   4           HA       SER   4   3.675   2.721  -1.881
   26   1HB   SER   4          2HB       SER   4   2.459   1.810  -3.880
   27   2HB   SER   4          1HB       SER   4   1.003   2.687  -3.363
   28    HG   SER   4           HG       SER   4   2.235   4.600  -3.406
   29    H    ALA   5           H        ALA   5   3.415   5.036  -1.664
   30    HA   ALA   5           HA       ALA   5   2.651   5.854   0.893
   31   1HB   ALA   5          3HB       ALA   5   4.249   7.069  -0.573
   32   2HB   ALA   5          2HB       ALA   5   2.912   7.617  -1.622
   33   3HB   ALA   5          1HB       ALA   5   3.030   8.200   0.060
   34    H    GLY   6           H        GLY   6   0.916   6.651   1.885
   35   1HA   GLY   6          1HA       GLY   6  -1.288   7.540   2.276
   36   2HA   GLY   6          2HA       GLY   6  -1.578   7.667   0.553
   37    H    GLY   7           H        GLY   7  -0.663   4.575   2.255
   38   1HA   GLY   7          2HA       GLY   7  -1.855   2.862   3.074
   39   2HA   GLY   7          1HA       GLY   7  -3.347   3.804   2.940
   40    H    ILE   8           H        ILE   8  -1.209   2.796   0.292
   41    HA   ILE   8           HA       ILE   8  -3.289   1.478  -1.109
   42    HB   ILE   8           HB       ILE   8  -0.508   2.409  -1.783
   43   1HG1  ILE   8          2HG1      ILE   8  -2.091   4.151  -1.085
   44   2HG1  ILE   8          1HG1      ILE   8  -1.251   4.386  -2.528
   45   1HG2  ILE   8          1HG2      ILE   8  -1.165   0.570  -3.399
   46   2HG2  ILE   8          3HG2      ILE   8  -2.619   1.493  -3.833
   47   3HG2  ILE   8          2HG2      ILE   8  -1.007   2.152  -4.211
   48   1HD1  ILE   8          1HD1      ILE   8  -4.176   3.554  -2.021
   49   2HD1  ILE   8          3HD1      ILE   8  -3.636   5.220  -2.477
   50   3HD1  ILE   8          2HD1      ILE   8  -3.541   3.844  -3.673
   51    H    VAL   9           H        VAL   9  -3.184  -0.092   0.384
   52    HA   VAL   9           HA       VAL   9  -1.101  -2.000   0.915
   53    HB   VAL   9           HB       VAL   9  -3.849  -1.502   2.162
   54   1HG1  VAL   9          3HG2      VAL   9  -3.260  -3.930   2.595
   55   2HG1  VAL   9          2HG2      VAL   9  -1.733  -3.455   3.351
   56   3HG1  VAL   9          1HG2      VAL   9  -3.296  -3.018   4.118
   57   1HG2  VAL   9          1HG1      VAL   9  -2.153   0.277   2.600
   58   2HG2  VAL   9          2HG1      VAL   9  -2.629  -0.503   4.118
   59   3HG2  VAL   9          3HG1      VAL   9  -1.056  -0.891   3.347
   60    H    LEU  10           H        LEU  10  -1.349  -2.467  -1.166
   61    HA   LEU  10           HA       LEU  10  -2.955  -3.681  -2.697
   62   1HB   LEU  10          1HB       LEU  10   0.058  -4.039  -2.558
   63   2HB   LEU  10          2HB       LEU  10  -0.832  -4.419  -3.994
   64    HG   LEU  10           HG       LEU  10  -1.406  -1.656  -2.890
   65   1HD1  LEU  10          3HD2      LEU  10   0.994  -1.742  -2.489
   66   2HD1  LEU  10          1HD2      LEU  10   1.310  -2.224  -4.174
   67   3HD1  LEU  10          2HD2      LEU  10   0.663  -0.588  -3.788
   68   1HD2  LEU  10          2HD1      LEU  10  -2.574  -2.290  -4.805
   69   2HD2  LEU  10          3HD1      LEU  10  -1.557  -0.858  -5.097
   70   3HD2  LEU  10          1HD1      LEU  10  -1.043  -2.478  -5.735
   71   1HN   NH2  11          1HN       NH2  11  -1.775  -7.459  -1.316
   72   2HN   NH2  11          2HN       NH2  11  -0.762  -6.004  -0.845
   
  Start of MODEL    4
    1   1H    ACE   1          1HA       ACE   1   2.934  -7.419   2.020
    2   2H    ACE   1          2HA       ACE   1   3.909  -7.651   0.540
    3   3H    ACE   1          3HA       ACE   1   2.267  -6.954   0.429
    4    H    THR   2           H        THR   2   3.939  -5.556  -0.792
    5    HA   THR   2           HA       THR   2   5.173  -3.353   0.937
    6    HB   THR   2           HB       THR   2   6.040  -2.398  -1.258
    7    HG1  THR   2           HG1      THR   2   5.975  -3.802  -3.025
    8   1HG2  THR   2          1HG2      THR   2   7.608  -3.812   0.065
    9   2HG2  THR   2          3HG2      THR   2   7.003  -5.273  -0.761
   10   3HG2  THR   2          2HG2      THR   2   7.858  -4.013  -1.690
   11    H    LYS   3           H        LYS   3   3.984  -1.626   1.324
   12    HA   LYS   3           HA       LYS   3   1.378  -1.074  -0.017
   13   1HB   LYS   3          1HB       LYS   3   2.022  -1.071   2.590
   14   2HB   LYS   3          2HB       LYS   3   2.660   0.516   2.086
   15   1HG   LYS   3          1HG       LYS   3   0.313   1.181   1.397
   16   2HG   LYS   3          2HG       LYS   3  -0.177  -0.406   1.963
   17   1HD   LYS   3          2HD       LYS   3  -0.833   0.913   3.696
   18   2HD   LYS   3          1HD       LYS   3   0.626   0.181   4.324
   19   1HE   LYS   3          1HE       LYS   3   1.883   2.359   3.827
   20   2HE   LYS   3          2HE       LYS   3   0.376   3.071   3.229
   21   1HZ   LYS   3          3HZ       LYS   3   0.796   2.023   5.990
   22   2HZ   LYS   3          1HZ       LYS   3   0.748   3.617   5.560
   23   3HZ   LYS   3          2HZ       LYS   3  -0.611   2.686   5.433
   24    H    SER   4           H        SER   4   0.944   1.205  -0.278
   25    HA   SER   4           HA       SER   4   2.913   2.742  -2.081
   26   1HB   SER   4          1HB       SER   4  -0.150   2.869  -1.980
   27   2HB   SER   4          2HB       SER   4   0.896   3.888  -2.982
   28    HG   SER   4           HG       SER   4   0.109   2.087  -4.115
   29    H    ALA   5           H        ALA   5   3.046   5.048  -1.683
   30    HA   ALA   5           HA       ALA   5   2.728   6.014   1.088
   31   1HB   ALA   5          1HB       ALA   5   4.545   6.824  -0.401
   32   2HB   ALA   5          3HB       ALA   5   3.349   7.502  -1.540
   33   3HB   ALA   5          2HB       ALA   5   3.512   8.191   0.099
   34    H    GLY   6           H        GLY   6   0.933   6.918   1.932
   35   1HA   GLY   6          1HA       GLY   6  -1.318   8.034   1.835
   36   2HA   GLY   6          2HA       GLY   6  -1.542   7.404   0.192
   37    H    GLY   7           H        GLY   7  -1.348   4.941   0.068
   38   1HA   GLY   7          1HA       GLY   7  -0.874   3.083   1.363
   39   2HA   GLY   7          2HA       GLY   7  -2.211   3.428   2.481
   40    H    ILE   8           H        ILE   8  -2.381   2.953  -1.256
   41    HA   ILE   8           HA       ILE   8  -4.158   1.323  -1.335
   42    HB   ILE   8           HB       ILE   8  -1.801   2.005  -3.152
   43   1HG1  ILE   8          1HG1      ILE   8  -3.242   3.509  -4.278
   44   2HG1  ILE   8          2HG1      ILE   8  -4.725   2.888  -3.484
   45   1HG2  ILE   8          2HG2      ILE   8  -2.658  -0.193  -3.960
   46   2HG2  ILE   8          1HG2      ILE   8  -4.299   0.468  -4.092
   47   3HG2  ILE   8          3HG2      ILE   8  -2.979   1.091  -5.128
   48   1HD1  ILE   8          1HD1      ILE   8  -2.703   4.675  -2.180
   49   2HD1  ILE   8          2HD1      ILE   8  -4.343   5.139  -2.837
   50   3HD1  ILE   8          3HD1      ILE   8  -4.178   3.989  -1.471
   51    H    VAL   9           H        VAL   9  -3.704  -0.018   0.112
   52    HA   VAL   9           HA       VAL   9  -1.639  -1.654   0.851
   53    HB   VAL   9           HB       VAL   9  -3.337  -0.533   2.320
   54   1HG1  VAL   9          1HG1      VAL   9  -5.429  -1.576   1.522
   55   2HG1  VAL   9          3HG1      VAL   9  -4.924  -3.141   2.202
   56   3HG1  VAL   9          2HG1      VAL   9  -5.231  -1.737   3.292
   57   1HG2  VAL   9          1HG2      VAL   9  -1.421  -1.810   3.205
   58   2HG2  VAL   9          2HG2      VAL   9  -2.815  -1.983   4.282
   59   3HG2  VAL   9          3HG2      VAL   9  -2.354  -3.312   3.158
   60    H    LEU  10           H        LEU  10  -1.608  -2.375  -1.185
   61    HA   LEU  10           HA       LEU  10  -2.598  -4.441  -2.387
   62   1HB   LEU  10          2HB       LEU  10   0.304  -3.544  -2.221
   63   2HB   LEU  10          1HB       LEU  10  -0.233  -4.585  -3.500
   64    HG   LEU  10           HG       LEU  10  -1.883  -2.077  -3.082
   65   1HD1  LEU  10          3HD2      LEU  10   0.446  -1.223  -2.902
   66   2HD1  LEU  10          1HD2      LEU  10   0.806  -1.886  -4.522
   67   3HD1  LEU  10          2HD2      LEU  10  -0.422  -0.568  -4.296
   68   1HD2  LEU  10          3HD1      LEU  10  -2.691  -3.570  -4.684
   69   2HD2  LEU  10          2HD1      LEU  10  -2.314  -1.974  -5.372
   70   3HD2  LEU  10          1HD1      LEU  10  -1.196  -3.377  -5.674
   71   1HN   NH2  11          1HN       NH2  11  -0.193  -7.047  -0.152
   72   2HN   NH2  11          2HN       NH2  11   0.154  -5.247  -0.063
   
  Start of MODEL    5
    1   1H    ACE   1          1HA       ACE   1   3.310  -8.016   0.217
    2   2H    ACE   1          2HA       ACE   1   2.599  -6.814  -0.898
    3   3H    ACE   1          3HA       ACE   1   4.357  -7.135  -0.932
    4    H    THR   2           H        THR   2   3.887  -4.690  -0.779
    5    HA   THR   2           HA       THR   2   3.645  -3.625   2.062
    6    HB   THR   2           HB       THR   2   5.711  -2.157   1.768
    7    HG1  THR   2           HG1      THR   2   7.236  -2.902   0.269
    8   1HG2  THR   2          1HG2      THR   2   5.929  -4.130   3.273
    9   2HG2  THR   2          3HG2      THR   2   6.406  -5.148   1.888
   10   3HG2  THR   2          2HG2      THR   2   7.451  -3.797   2.403
   11    H    LYS   3           H        LYS   3   2.302  -1.934   1.907
   12    HA   LYS   3           HA       LYS   3   1.135  -1.085  -0.257
   13   1HB   LYS   3          2HB       LYS   3  -0.183  -0.390   1.348
   14   2HB   LYS   3          1HB       LYS   3   0.645  -1.363   2.369
   15   1HG   LYS   3          1HG       LYS   3   0.988   1.681   2.290
   16   2HG   LYS   3          2HG       LYS   3  -0.019   0.693   3.386
   17   1HD   LYS   3          2HD       LYS   3   1.791  -0.379   4.418
   18   2HD   LYS   3          1HD       LYS   3   2.996   0.372   3.359
   19   1HE   LYS   3          2HE       LYS   3   3.211   1.625   5.322
   20   2HE   LYS   3          1HE       LYS   3   2.225   2.689   4.331
   21   1HZ   LYS   3          2HZ       LYS   3   1.218   0.888   6.498
   22   2HZ   LYS   3          3HZ       LYS   3   1.387   2.528   6.597
   23   3HZ   LYS   3          1HZ       LYS   3   0.259   1.874   5.582
   24    H    SER   4           H        SER   4   0.495   1.137  -0.721
   25    HA   SER   4           HA       SER   4   2.710   2.529  -2.190
   26   1HB   SER   4          1HB       SER   4   0.836   3.698  -3.300
   27   2HB   SER   4          2HB       SER   4   0.366   2.008  -3.170
   28    HG   SER   4           HG       SER   4  -0.757   2.592  -1.245
   29    H    ALA   5           H        ALA   5   2.777   4.993  -2.238
   30    HA   ALA   5           HA       ALA   5   3.026   6.268   0.437
   31   1HB   ALA   5          2HB       ALA   5   4.517   6.895  -1.446
   32   2HB   ALA   5          3HB       ALA   5   3.118   7.430  -2.416
   33   3HB   ALA   5          1HB       ALA   5   3.560   8.310  -0.927
   34    H    GLY   6           H        GLY   6   1.271   6.927   1.511
   35   1HA   GLY   6          1HA       GLY   6  -1.085   7.790   1.755
   36   2HA   GLY   6          2HA       GLY   6  -1.451   7.172   0.131
   37    H    GLY   7           H        GLY   7  -1.104   4.765  -0.142
   38   1HA   GLY   7          1HA       GLY   7  -0.311   2.817   0.657
   39   2HA   GLY   7          2HA       GLY   7  -0.902   3.104   2.295
   40    H    ILE   8           H        ILE   8  -2.709   2.829  -0.914
   41    HA   ILE   8           HA       ILE   8  -4.538   1.342  -0.066
   42    HB   ILE   8           HB       ILE   8  -3.176   2.273  -2.711
   43   1HG1  ILE   8          1HG1      ILE   8  -4.954   3.868  -2.923
   44   2HG1  ILE   8          2HG1      ILE   8  -5.925   3.058  -1.644
   45   1HG2  ILE   8          1HG2      ILE   8  -4.277   0.247  -3.533
   46   2HG2  ILE   8          2HG2      ILE   8  -5.860   0.876  -3.020
   47   3HG2  ILE   8          3HG2      ILE   8  -4.897   1.735  -4.267
   48   1HD1  ILE   8          3HD1      ILE   8  -3.504   4.767  -1.161
   49   2HD1  ILE   8          2HD1      ILE   8  -5.249   5.232  -0.931
   50   3HD1  ILE   8          1HD1      ILE   8  -4.505   3.927   0.044
   51    H    VAL   9           H        VAL   9  -2.620  -0.007   0.687
   52    HA   VAL   9           HA       VAL   9  -1.507  -2.176   1.031
   53    HB   VAL   9           HB       VAL   9  -4.220  -1.431   1.934
   54   1HG1  VAL   9          2HG1      VAL   9  -4.805  -3.846   1.518
   55   2HG1  VAL   9          1HG1      VAL   9  -3.488  -4.358   2.589
   56   3HG1  VAL   9          3HG1      VAL   9  -4.883  -3.438   3.250
   57   1HG2  VAL   9          2HG2      VAL   9  -2.163  -0.778   3.132
   58   2HG2  VAL   9          1HG2      VAL   9  -3.275  -1.635   4.213
   59   3HG2  VAL   9          3HG2      VAL   9  -1.834  -2.468   3.546
   60    H    LEU  10           H        LEU  10  -0.969  -2.343  -1.066
   61    HA   LEU  10           HA       LEU  10  -1.787  -3.807  -2.974
   62   1HB   LEU  10          1HB       LEU  10   0.977  -3.383  -1.695
   63   2HB   LEU  10          2HB       LEU  10   0.732  -3.936  -3.323
   64    HG   LEU  10           HG       LEU  10  -0.362  -2.115  -4.038
   65   1HD1  LEU  10          3HD1      LEU  10  -1.771  -1.172  -2.575
   66   2HD1  LEU  10          2HD1      LEU  10  -0.493  -0.393  -1.616
   67   3HD1  LEU  10          1HD1      LEU  10  -0.820   0.118  -3.327
   68   1HD2  LEU  10          1HD2      LEU  10   2.246  -2.007  -3.794
   69   2HD2  LEU  10          3HD2      LEU  10   1.595  -0.329  -3.821
   70   3HD2  LEU  10          2HD2      LEU  10   1.983  -1.130  -2.263
   71   1HN   NH2  11          1HN       NH2  11  -0.339  -7.266  -1.077
   72   2HN   NH2  11          2HN       NH2  11   0.080  -5.633  -0.352
   
  Start of MODEL    6
    1   1H    ACE   1          1HA       ACE   1   3.547  -5.263   5.160
    2   2H    ACE   1          2HA       ACE   1   4.133  -6.287   3.817
    3   3H    ACE   1          3HA       ACE   1   2.462  -5.653   3.794
    4    H    THR   2           H        THR   2   3.646  -5.193   1.642
    5    HA   THR   2           HA       THR   2   5.106  -2.509   1.594
    6    HB   THR   2           HB       THR   2   5.243  -2.856  -0.920
    7    HG1  THR   2           HG1      THR   2   4.265  -5.426  -0.215
    8   1HG2  THR   2          1HG2      THR   2   7.223  -3.541   0.422
    9   2HG2  THR   2          2HG2      THR   2   6.523  -5.167   0.647
   10   3HG2  THR   2          3HG2      THR   2   6.981  -4.611  -0.985
   11    H    LYS   3           H        LYS   3   3.929  -0.703   1.383
   12    HA   LYS   3           HA       LYS   3   1.164  -0.618   0.299
   13   1HB   LYS   3          1HB       LYS   3   2.808   0.178   2.741
   14   2HB   LYS   3          2HB       LYS   3   2.083   1.498   1.951
   15   1HG   LYS   3          1HG       LYS   3  -0.175   0.210   2.243
   16   2HG   LYS   3          2HG       LYS   3   0.752  -1.025   3.080
   17   1HD   LYS   3          1HD       LYS   3   0.461   1.822   4.091
   18   2HD   LYS   3          2HD       LYS   3  -0.558   0.436   4.474
   19   1HE   LYS   3          2HE       LYS   3   2.425   0.496   5.197
   20   2HE   LYS   3          1HE       LYS   3   1.168   1.134   6.257
   21   1HZ   LYS   3          1HZ       LYS   3   0.149  -1.078   6.326
   22   2HZ   LYS   3          3HZ       LYS   3   1.320  -1.694   5.337
   23   3HZ   LYS   3          2HZ       LYS   3   1.718  -1.138   6.840
   24    H    SER   4           H        SER   4   0.549   1.539  -0.422
   25    HA   SER   4           HA       SER   4   2.443   2.799  -2.468
   26   1HB   SER   4          1HB       SER   4   0.196   2.217  -3.276
   27   2HB   SER   4          2HB       SER   4  -0.578   3.124  -1.955
   28    HG   SER   4           HG       SER   4  -0.431   4.296  -3.887
   29    H    ALA   5           H        ALA   5   2.490   5.242  -2.494
   30    HA   ALA   5           HA       ALA   5   3.100   6.473   0.128
   31   1HB   ALA   5          1HB       ALA   5   4.322   7.094  -1.930
   32   2HB   ALA   5          3HB       ALA   5   2.817   7.681  -2.688
   33   3HB   ALA   5          2HB       ALA   5   3.486   8.522  -1.265
   34    H    GLY   6           H        GLY   6   1.340   6.456   1.377
   35   1HA   GLY   6          2HA       GLY   6  -1.034   7.552   1.819
   36   2HA   GLY   6          1HA       GLY   6  -1.432   6.836   0.236
   37    H    GLY   7           H        GLY   7  -0.703   4.438   0.090
   38   1HA   GLY   7          1HA       GLY   7   0.078   2.579   1.151
   39   2HA   GLY   7          2HA       GLY   7  -0.849   2.905   2.617
   40    H    ILE   8           H        ILE   8  -1.504   2.234  -0.858
   41    HA   ILE   8           HA       ILE   8  -4.096   1.423  -0.259
   42    HB   ILE   8           HB       ILE   8  -2.469   1.834  -2.804
   43   1HG1  ILE   8          2HG1      ILE   8  -2.646   3.741  -1.360
   44   2HG1  ILE   8          1HG1      ILE   8  -3.157   3.986  -2.957
   45   1HG2  ILE   8          1HG2      ILE   8  -4.386   0.420  -3.582
   46   2HG2  ILE   8          3HG2      ILE   8  -5.525   1.572  -2.842
   47   3HG2  ILE   8          2HG2      ILE   8  -4.499   2.065  -4.214
   48   1HD1  ILE   8          1HD1      ILE   8  -4.751   3.703  -0.340
   49   2HD1  ILE   8          2HD1      ILE   8  -4.389   5.257  -1.178
   50   3HD1  ILE   8          3HD1      ILE   8  -5.554   4.058  -1.910
   51    H    VAL   9           H        VAL   9  -2.783  -0.253   0.773
   52    HA   VAL   9           HA       VAL   9  -1.600  -2.133   0.761
   53    HB   VAL   9           HB       VAL   9  -3.104  -1.707   2.657
   54   1HG1  VAL   9          3HG1      VAL   9  -5.279  -2.542   1.774
   55   2HG1  VAL   9          2HG1      VAL   9  -4.665  -4.213   1.819
   56   3HG1  VAL   9          1HG1      VAL   9  -4.870  -3.281   3.349
   57   1HG2  VAL   9          1HG2      VAL   9  -1.096  -3.091   2.849
   58   2HG2  VAL   9          3HG2      VAL   9  -2.350  -3.692   3.948
   59   3HG2  VAL   9          2HG2      VAL   9  -1.998  -4.548   2.404
   60    H    LEU  10           H        LEU  10  -1.160  -2.380  -1.248
   61    HA   LEU  10           HA       LEU  10  -1.832  -3.678  -3.350
   62   1HB   LEU  10          2HB       LEU  10   0.663  -3.770  -1.568
   63   2HB   LEU  10          1HB       LEU  10   0.647  -4.212  -3.246
   64    HG   LEU  10           HG       LEU  10   0.027  -2.214  -4.033
   65   1HD1  LEU  10          3HD1      LEU  10  -1.457  -1.056  -2.824
   66   2HD1  LEU  10          1HD1      LEU  10  -0.294  -0.592  -1.561
   67   3HD1  LEU  10          2HD1      LEU  10  -0.157   0.051  -3.257
   68   1HD2  LEU  10          2HD2      LEU  10   2.531  -2.575  -3.258
   69   2HD2  LEU  10          1HD2      LEU  10   2.179  -0.813  -3.355
   70   3HD2  LEU  10          3HD2      LEU  10   2.091  -1.671  -1.782
   71   1HN   NH2  11          1HN       NH2  11  -1.021  -5.827  -0.486
   72   2HN   NH2  11          2HN       NH2  11  -1.386  -7.371  -1.407
   
  Start of MODEL    7
    1   1H    ACE   1          1HA       ACE   1   4.027  -5.285   3.017
    2   2H    ACE   1          2HA       ACE   1   2.482  -6.150   3.265
    3   3H    ACE   1          3HA       ACE   1   2.476  -4.453   2.704
    4    H    THR   2           H        THR   2   3.492  -5.839  -0.801
    5    HA   THR   2           HA       THR   2   4.792  -3.827   1.048
    6    HB   THR   2           HB       THR   2   5.876  -2.906  -1.089
    7    HG1  THR   2           HG1      THR   2   5.743  -4.263  -2.890
    8   1HG2  THR   2          3HG2      THR   2   7.212  -4.510   0.273
    9   2HG2  THR   2          2HG2      THR   2   6.492  -5.880  -0.615
   10   3HG2  THR   2          1HG2      THR   2   7.527  -4.706  -1.472
   11    H    LYS   3           H        LYS   3   3.807  -1.963   1.425
   12    HA   LYS   3           HA       LYS   3   1.360  -1.079  -0.052
   13   1HB   LYS   3          1HB       LYS   3   1.834  -1.314   2.590
   14   2HB   LYS   3          2HB       LYS   3   2.576   0.283   2.212
   15   1HG   LYS   3          1HG       LYS   3   0.495   1.268   1.689
   16   2HG   LYS   3          2HG       LYS   3  -0.247  -0.347   1.738
   17   1HD   LYS   3          1HD       LYS   3  -0.964   0.934   3.665
   18   2HD   LYS   3          2HD       LYS   3  -0.176  -0.577   4.030
   19   1HE   LYS   3          1HE       LYS   3   0.406   0.986   5.764
   20   2HE   LYS   3          2HE       LYS   3   1.873   0.687   4.835
   21   1HZ   LYS   3          3HZ       LYS   3   0.132   3.092   4.571
   22   2HZ   LYS   3          1HZ       LYS   3   1.597   3.032   5.331
   23   3HZ   LYS   3          2HZ       LYS   3   1.506   2.821   3.695
   24    H    SER   4           H        SER   4   1.190   1.217  -0.403
   25    HA   SER   4           HA       SER   4   3.636   2.701  -1.467
   26   1HB   SER   4          1HB       SER   4   1.207   1.896  -3.149
   27   2HB   SER   4          2HB       SER   4   2.263   3.274  -3.538
   28    HG   SER   4           HG       SER   4   3.081   0.600  -3.060
   29    H    ALA   5           H        ALA   5   3.280   4.971  -1.708
   30    HA   ALA   5           HA       ALA   5   2.511   6.228   0.605
   31   1HB   ALA   5          2HB       ALA   5   3.948   7.226  -1.166
   32   2HB   ALA   5          1HB       ALA   5   2.525   7.483  -2.215
   33   3HB   ALA   5          3HB       ALA   5   2.690   8.387  -0.686
   34    H    GLY   6           H        GLY   6   0.836   7.362   1.488
   35   1HA   GLY   6          2HA       GLY   6  -1.467   7.967   1.907
   36   2HA   GLY   6          1HA       GLY   6  -1.912   7.528   0.271
   37    H    GLY   7           H        GLY   7  -0.205   4.841   1.606
   38   1HA   GLY   7          2HA       GLY   7  -0.730   2.949   2.639
   39   2HA   GLY   7          1HA       GLY   7  -2.235   3.635   3.262
   40    H    ILE   8           H        ILE   8  -0.884   2.736   0.144
   41    HA   ILE   8           HA       ILE   8  -3.265   1.808  -1.024
   42    HB   ILE   8           HB       ILE   8  -0.439   2.334  -1.942
   43   1HG1  ILE   8          2HG1      ILE   8  -1.624   4.244  -1.066
   44   2HG1  ILE   8          1HG1      ILE   8  -0.956   4.411  -2.610
   45   1HG2  ILE   8          3HG2      ILE   8  -1.474   0.674  -3.556
   46   2HG2  ILE   8          2HG2      ILE   8  -2.784   1.837  -3.859
   47   3HG2  ILE   8          1HG2      ILE   8  -1.106   2.248  -4.304
   48   1HD1  ILE   8          2HD1      ILE   8  -3.876   4.024  -1.712
   49   2HD1  ILE   8          3HD1      ILE   8  -3.141   5.597  -2.209
   50   3HD1  ILE   8          1HD1      ILE   8  -3.436   4.277  -3.435
   51    H    VAL   9           H        VAL   9  -3.251   0.173   0.316
   52    HA   VAL   9           HA       VAL   9  -1.572  -1.937   0.857
   53    HB   VAL   9           HB       VAL   9  -3.191  -0.792   2.401
   54   1HG1  VAL   9          3HG2      VAL   9  -5.341  -1.253   1.279
   55   2HG1  VAL   9          2HG2      VAL   9  -5.187  -2.984   1.665
   56   3HG1  VAL   9          1HG2      VAL   9  -5.350  -1.772   2.991
   57   1HG2  VAL   9          3HG1      VAL   9  -1.621  -2.540   3.134
   58   2HG2  VAL   9          1HG1      VAL   9  -3.126  -2.659   4.060
   59   3HG2  VAL   9          2HG1      VAL   9  -2.781  -3.812   2.721
   60    H    LEU  10           H        LEU  10  -1.442  -2.255  -1.260
   61    HA   LEU  10           HA       LEU  10  -2.686  -3.722  -2.981
   62   1HB   LEU  10          1HB       LEU  10   0.300  -3.630  -2.383
   63   2HB   LEU  10          2HB       LEU  10  -0.281  -4.191  -3.918
   64    HG   LEU  10           HG       LEU  10  -1.377  -1.507  -3.046
   65   1HD1  LEU  10          3HD2      LEU  10   1.003  -1.294  -2.416
   66   2HD1  LEU  10          2HD2      LEU  10   1.496  -1.729  -4.076
   67   3HD1  LEU  10          1HD2      LEU  10   0.588  -0.198  -3.740
   68   1HD2  LEU  10          1HD1      LEU  10  -2.235  -2.367  -5.033
   69   2HD2  LEU  10          2HD1      LEU  10  -1.408  -0.808  -5.269
   70   3HD2  LEU  10          3HD1      LEU  10  -0.600  -2.351  -5.795
   71   1HN   NH2  11          1HN       NH2  11  -2.363  -7.350  -2.740
   72   2HN   NH2  11          2HN       NH2  11  -2.963  -5.886  -3.668
   
  Start of MODEL    8
    1   1H    ACE   1          1HA       ACE   1   3.525  -7.655   0.203
    2   2H    ACE   1          2HA       ACE   1   2.594  -7.476   1.719
    3   3H    ACE   1          3HA       ACE   1   1.934  -6.840   0.184
    4    H    THR   2           H        THR   2   3.680  -5.467  -0.960
    5    HA   THR   2           HA       THR   2   5.094  -3.500   0.910
    6    HB   THR   2           HB       THR   2   5.994  -2.437  -1.221
    7    HG1  THR   2           HG1      THR   2   5.804  -3.689  -3.091
    8   1HG2  THR   2          2HG2      THR   2   7.477  -4.057  -0.045
    9   2HG2  THR   2          1HG2      THR   2   6.758  -5.402  -0.970
   10   3HG2  THR   2          3HG2      THR   2   7.687  -4.135  -1.815
   11    H    LYS   3           H        LYS   3   4.069  -1.709   1.424
   12    HA   LYS   3           HA       LYS   3   1.403  -0.934   0.340
   13   1HB   LYS   3          1HB       LYS   3   2.286  -1.029   2.852
   14   2HB   LYS   3          2HB       LYS   3   3.021   0.511   2.323
   15   1HG   LYS   3          1HG       LYS   3   0.730   1.383   1.913
   16   2HG   LYS   3          2HG       LYS   3   0.072  -0.147   2.458
   17   1HD   LYS   3          1HD       LYS   3   1.645   1.788   4.223
   18   2HD   LYS   3          2HD       LYS   3  -0.106   1.698   3.985
   19   1HE   LYS   3          1HE       LYS   3  -0.250  -0.534   5.041
   20   2HE   LYS   3          2HE       LYS   3   1.507  -0.566   5.273
   21   1HZ   LYS   3          1HZ       LYS   3   1.301   1.428   6.670
   22   2HZ   LYS   3          2HZ       LYS   3  -0.337   1.460   6.455
   23   3HZ   LYS   3          3HZ       LYS   3   0.366   0.205   7.268
   24    H    SER   4           H        SER   4   1.135   1.403   0.188
   25    HA   SER   4           HA       SER   4   3.036   2.809  -1.802
   26   1HB   SER   4          2HB       SER   4   1.022   2.122  -3.006
   27   2HB   SER   4          1HB       SER   4  -0.048   2.883  -1.807
   28    HG   SER   4           HG       SER   4   1.923   4.170  -3.393
   29    H    ALA   5           H        ALA   5   2.988   5.203  -1.676
   30    HA   ALA   5           HA       ALA   5   2.745   6.387   1.051
   31   1HB   ALA   5          2HB       ALA   5   4.515   7.134  -0.525
   32   2HB   ALA   5          1HB       ALA   5   3.283   7.639  -1.714
   33   3HB   ALA   5          3HB       ALA   5   3.415   8.490  -0.151
   34    H    GLY   6           H        GLY   6   0.831   7.067   1.801
   35   1HA   GLY   6          1HA       GLY   6  -1.586   7.707   1.684
   36   2HA   GLY   6          2HA       GLY   6  -1.640   7.158  -0.004
   37    H    GLY   7           H        GLY   7  -1.090   4.789  -0.338
   38   1HA   GLY   7          2HA       GLY   7  -0.316   2.826   0.421
   39   2HA   GLY   7          1HA       GLY   7  -1.014   3.035   2.027
   40    H    ILE   8           H        ILE   8  -2.393   2.705  -1.333
   41    HA   ILE   8           HA       ILE   8  -4.523   1.517  -0.751
   42    HB   ILE   8           HB       ILE   8  -2.780   1.852  -3.277
   43   1HG1  ILE   8          1HG1      ILE   8  -4.113   3.762  -3.799
   44   2HG1  ILE   8          2HG1      ILE   8  -5.361   3.362  -2.569
   45   1HG2  ILE   8          3HG2      ILE   8  -4.330   0.026  -3.935
   46   2HG2  ILE   8          1HG2      ILE   8  -5.730   1.000  -3.439
   47   3HG2  ILE   8          2HG2      ILE   8  -4.697   1.505  -4.809
   48   1HD1  ILE   8          3HD1      ILE   8  -2.690   4.561  -1.950
   49   2HD1  ILE   8          2HD1      ILE   8  -4.304   5.410  -2.010
   50   3HD1  ILE   8          1HD1      ILE   8  -3.980   4.111  -0.821
   51    H    VAL   9           H        VAL   9  -3.370   0.121   0.578
   52    HA   VAL   9           HA       VAL   9  -1.762  -1.578   0.855
   53    HB   VAL   9           HB       VAL   9  -4.353  -1.340   2.282
   54   1HG1  VAL   9          3HG1      VAL   9  -4.332  -3.848   2.351
   55   2HG1  VAL   9          2HG1      VAL   9  -2.729  -3.822   3.109
   56   3HG1  VAL   9          1HG1      VAL   9  -4.151  -3.142   3.972
   57   1HG2  VAL   9          3HG2      VAL   9  -2.337  -0.001   2.832
   58   2HG2  VAL   9          2HG2      VAL   9  -2.966  -0.855   4.252
   59   3HG2  VAL   9          1HG2      VAL   9  -1.507  -1.457   3.400
   60    H    LEU  10           H        LEU  10  -1.473  -2.170  -1.014
   61    HA   LEU  10           HA       LEU  10  -2.336  -3.856  -2.725
   62   1HB   LEU  10          1HB       LEU  10   0.541  -3.409  -1.830
   63   2HB   LEU  10          2HB       LEU  10   0.195  -4.097  -3.378
   64    HG   LEU  10           HG       LEU  10  -1.274  -1.523  -2.813
   65   1HD1  LEU  10          3HD2      LEU  10   0.834  -0.926  -1.832
   66   2HD1  LEU  10          1HD2      LEU  10   1.702  -1.353  -3.335
   67   3HD1  LEU  10          2HD2      LEU  10   0.523   0.013  -3.299
   68   1HD2  LEU  10          3HD1      LEU  10  -1.739  -2.572  -4.846
   69   2HD2  LEU  10          1HD1      LEU  10  -1.082  -0.932  -5.056
   70   3HD2  LEU  10          2HD1      LEU  10  -0.025  -2.376  -5.373
   71   1HN   NH2  11          1HN       NH2  11  -2.278  -6.068  -3.334
   72   2HN   NH2  11          2HN       NH2  11  -1.635  -7.413  -2.264
   
  Start of MODEL    9
    1   1H    ACE   1          1HA       ACE   1   5.674  -6.173   2.160
    2   2H    ACE   1          2HA       ACE   1   4.241  -6.704   1.232
    3   3H    ACE   1          3HA       ACE   1   4.381  -7.105   2.969
    4    H    THR   2           H        THR   2   4.664  -4.275   0.894
    5    HA   THR   2           HA       THR   2   2.423  -2.767   2.216
    6    HB   THR   2           HB       THR   2   3.832  -0.650   2.605
    7    HG1  THR   2           HG1      THR   2   5.608  -1.411   1.399
    8   1HG2  THR   2          1HG2      THR   2   3.156  -1.956   4.616
    9   2HG2  THR   2          2HG2      THR   2   4.620  -2.966   4.464
   10   3HG2  THR   2          3HG2      THR   2   4.771  -1.223   4.816
   11    H    LYS   3           H        LYS   3   1.409  -1.722   0.594
   12    HA   LYS   3           HA       LYS   3   2.460  -1.256  -2.036
   13   1HB   LYS   3          1HB       LYS   3   0.193  -1.701  -1.572
   14   2HB   LYS   3          2HB       LYS   3   0.080  -0.099  -0.877
   15   1HG   LYS   3          2HG       LYS   3  -0.991  -0.193  -2.905
   16   2HG   LYS   3          1HG       LYS   3   0.350   0.839  -3.245
   17   1HD   LYS   3          2HD       LYS   3  -0.166  -2.028  -4.114
   18   2HD   LYS   3          1HD       LYS   3  -0.366  -0.557  -5.053
   19   1HE   LYS   3          1HE       LYS   3   2.193  -0.202  -4.955
   20   2HE   LYS   3          2HE       LYS   3   2.328  -1.793  -4.185
   21   1HZ   LYS   3          2HZ       LYS   3   1.263  -2.781  -6.140
   22   2HZ   LYS   3          1HZ       LYS   3   1.135  -1.306  -6.871
   23   3HZ   LYS   3          3HZ       LYS   3   2.625  -1.956  -6.580
   24    H    SER   4           H        SER   4   1.907   1.138  -2.584
   25    HA   SER   4           HA       SER   4   2.272   3.660  -2.580
   26   1HB   SER   4          2HB       SER   4   0.286   2.270  -0.748
   27   2HB   SER   4          1HB       SER   4   0.293   4.017  -0.826
   28    HG   SER   4           HG       SER   4  -1.025   3.110  -2.389
   29    H    ALA   5           H        ALA   5   3.038   5.534  -1.673
   30    HA   ALA   5           HA       ALA   5   3.138   5.800   1.352
   31   1HB   ALA   5          2HB       ALA   5   4.895   6.983   0.043
   32   2HB   ALA   5          3HB       ALA   5   3.645   7.791  -0.946
   33   3HB   ALA   5          1HB       ALA   5   3.768   8.148   0.796
   34    H    GLY   6           H        GLY   6   0.990   5.180   1.670
   35   1HA   GLY   6          2HA       GLY   6  -1.234   5.885   2.288
   36   2HA   GLY   6          1HA       GLY   6  -1.130   7.256   1.200
   37    H    GLY   7           H        GLY   7  -1.444   3.676   1.115
   38   1HA   GLY   7          1HA       GLY   7  -3.321   3.794  -1.214
   39   2HA   GLY   7          2HA       GLY   7  -2.048   2.577  -0.872
   40    H    ILE   8           H        ILE   8  -2.819   1.669   2.044
   41    HA   ILE   8           HA       ILE   8  -1.477   0.867   0.499
   42    HB   ILE   8           HB       ILE   8  -1.439   2.465   2.454
   43   1HG1  ILE   8          1HG1      ILE   8   0.215   1.450   3.775
   44   2HG1  ILE   8          2HG1      ILE   8  -0.018  -0.066   2.843
   45   1HG2  ILE   8          3HG2      ILE   8  -3.286   1.519   3.884
   46   2HG2  ILE   8          2HG2      ILE   8  -2.242   0.124   4.296
   47   3HG2  ILE   8          1HG2      ILE   8  -1.785   1.802   4.782
   48   1HD1  ILE   8          1HD1      ILE   8   1.052   2.543   1.673
   49   2HD1  ILE   8          2HD1      ILE   8   2.082   1.178   2.244
   50   3HD1  ILE   8          3HD1      ILE   8   0.944   0.932   0.895
   51    H    VAL   9           H        VAL   9  -0.513  -0.859   1.121
   52    HA   VAL   9           HA       VAL   9  -0.104  -2.842  -0.040
   53    HB   VAL   9           HB       VAL   9   0.212  -2.887   2.397
   54   1HG1  VAL   9          3HG2      VAL   9  -2.082  -3.297   3.229
   55   2HG1  VAL   9          2HG2      VAL   9  -2.074  -4.931   2.520
   56   3HG1  VAL   9          1HG2      VAL   9  -0.947  -4.522   3.869
   57   1HG2  VAL   9          1HG1      VAL   9   1.406  -4.417   0.876
   58   2HG2  VAL   9          3HG1      VAL   9   1.085  -5.279   2.391
   59   3HG2  VAL   9          2HG1      VAL   9   0.086  -5.593   0.926
   60    H    LEU  10           H        LEU  10  -1.811  -2.155  -1.312
   61    HA   LEU  10           HA       LEU  10  -4.078  -3.149  -1.957
   62   1HB   LEU  10          2HB       LEU  10  -2.353  -1.714  -3.636
   63   2HB   LEU  10          1HB       LEU  10  -4.079  -2.038  -3.872
   64    HG   LEU  10           HG       LEU  10  -2.841  -0.691  -1.500
   65   1HD1  LEU  10          2HD1      LEU  10  -2.841   0.595  -3.635
   66   2HD1  LEU  10          1HD1      LEU  10  -4.641   0.423  -3.659
   67   3HD1  LEU  10          3HD1      LEU  10  -3.796   1.380  -2.325
   68   1HD2  LEU  10          1HD2      LEU  10  -5.775  -1.052  -1.786
   69   2HD2  LEU  10          2HD2      LEU  10  -4.645  -1.666  -0.538
   70   3HD2  LEU  10          3HD2      LEU  10  -4.973   0.077  -0.581
   71   1HN   NH2  11          1HN       NH2  11  -3.733  -6.254  -3.912
   72   2HN   NH2  11          2HN       NH2  11  -4.564  -5.351  -2.547
   
  Start of MODEL   10
    1   1H    ACE   1          1HA       ACE   1   2.587  -6.248   2.734
    2   2H    ACE   1          2HA       ACE   1   4.293  -6.759   2.879
    3   3H    ACE   1          3HA       ACE   1   3.457  -6.030   4.281
    4    H    THR   2           H        THR   2   3.935  -5.323   0.866
    5    HA   THR   2           HA       THR   2   5.162  -2.587   1.455
    6    HB   THR   2           HB       THR   2   5.597  -2.468  -1.052
    7    HG1  THR   2           HG1      THR   2   3.982  -3.978  -1.596
    8   1HG2  THR   2          2HG2      THR   2   7.473  -3.243   0.388
    9   2HG2  THR   2          3HG2      THR   2   6.898  -4.926   0.251
   10   3HG2  THR   2          1HG2      THR   2   7.477  -4.061  -1.198
   11    H    LYS   3           H        LYS   3   3.875  -0.860   1.404
   12    HA   LYS   3           HA       LYS   3   1.202  -0.798   0.041
   13   1HB   LYS   3          1HB       LYS   3   2.364  -0.375   2.752
   14   2HB   LYS   3          2HB       LYS   3   1.945   1.127   2.035
   15   1HG   LYS   3          1HG       LYS   3  -0.476   0.063   1.720
   16   2HG   LYS   3          2HG       LYS   3   0.203  -1.307   2.618
   17   1HD   LYS   3          2HD       LYS   3   0.605  -0.076   4.576
   18   2HD   LYS   3          1HD       LYS   3   0.148   1.472   3.856
   19   1HE   LYS   3          2HE       LYS   3  -1.737   0.985   5.111
   20   2HE   LYS   3          1HE       LYS   3  -2.261   0.413   3.536
   21   1HZ   LYS   3          3HZ       LYS   3  -1.199  -1.294   5.745
   22   2HZ   LYS   3          2HZ       LYS   3  -2.781  -1.169   5.287
   23   3HZ   LYS   3          1HZ       LYS   3  -1.679  -1.865   4.272
   24    H    SER   4           H        SER   4   0.536   1.461  -0.422
   25    HA   SER   4           HA       SER   4   2.487   2.821  -2.352
   26   1HB   SER   4          2HB       SER   4  -0.530   3.158  -1.895
   27   2HB   SER   4          1HB       SER   4   0.446   4.109  -3.026
   28    HG   SER   4           HG       SER   4   1.080   2.167  -4.023
   29    H    ALA   5           H        ALA   5   2.610   5.242  -2.297
   30    HA   ALA   5           HA       ALA   5   3.121   6.388   0.389
   31   1HB   ALA   5          3HB       ALA   5   4.493   7.001  -1.575
   32   2HB   ALA   5          1HB       ALA   5   3.062   7.662  -2.412
   33   3HB   ALA   5          2HB       ALA   5   3.671   8.448  -0.931
   34    H    GLY   6           H        GLY   6   1.297   6.450   1.533
   35   1HA   GLY   6          1HA       GLY   6  -1.077   7.585   1.837
   36   2HA   GLY   6          2HA       GLY   6  -1.387   6.903   0.220
   37    H    GLY   7           H        GLY   7  -0.683   4.485   0.082
   38   1HA   GLY   7          1HA       GLY   7  -0.052   2.570   1.126
   39   2HA   GLY   7          2HA       GLY   7  -1.004   2.926   2.571
   40    H    ILE   8           H        ILE   8  -1.531   2.235  -0.916
   41    HA   ILE   8           HA       ILE   8  -4.167   1.449  -0.441
   42    HB   ILE   8           HB       ILE   8  -2.420   1.862  -2.901
   43   1HG1  ILE   8          2HG1      ILE   8  -2.621   3.764  -1.465
   44   2HG1  ILE   8          1HG1      ILE   8  -3.072   4.029  -3.074
   45   1HG2  ILE   8          3HG2      ILE   8  -4.339   0.490  -3.762
   46   2HG2  ILE   8          1HG2      ILE   8  -5.480   1.663  -3.060
   47   3HG2  ILE   8          2HG2      ILE   8  -4.391   2.138  -4.391
   48   1HD1  ILE   8          2HD1      ILE   8  -4.732   3.752  -0.501
   49   2HD1  ILE   8          1HD1      ILE   8  -4.322   5.307  -1.314
   50   3HD1  ILE   8          3HD1      ILE   8  -5.498   4.139  -2.084
   51    H    VAL   9           H        VAL   9  -2.874  -0.248   0.620
   52    HA   VAL   9           HA       VAL   9  -1.664  -2.119   0.555
   53    HB   VAL   9           HB       VAL   9  -3.065  -1.707   2.503
   54   1HG1  VAL   9          2HG2      VAL   9  -5.300  -2.464   1.715
   55   2HG1  VAL   9          1HG2      VAL   9  -4.739  -4.154   1.713
   56   3HG1  VAL   9          3HG2      VAL   9  -4.843  -3.235   3.262
   57   1HG2  VAL   9          3HG1      VAL   9  -1.092  -3.165   2.587
   58   2HG2  VAL   9          1HG1      VAL   9  -2.313  -3.733   3.739
   59   3HG2  VAL   9          2HG1      VAL   9  -2.065  -4.584   2.171
   60    H    LEU  10           H        LEU  10  -1.324  -2.391  -1.486
   61    HA   LEU  10           HA       LEU  10  -1.966  -3.900  -3.504
   62   1HB   LEU  10          1HB       LEU  10   0.518  -3.666  -1.717
   63   2HB   LEU  10          2HB       LEU  10   0.561  -4.273  -3.335
   64    HG   LEU  10           HG       LEU  10  -0.112  -2.456  -4.339
   65   1HD1  LEU  10          3HD1      LEU  10  -1.762  -1.269  -3.469
   66   2HD1  LEU  10          2HD1      LEU  10  -0.762  -0.555  -2.173
   67   3HD1  LEU  10          1HD1      LEU  10  -0.502  -0.122  -3.919
   68   1HD2  LEU  10          3HD2      LEU  10   2.364  -2.490  -3.355
   69   2HD2  LEU  10          2HD2      LEU  10   1.891  -0.792  -3.710
   70   3HD2  LEU  10          1HD2      LEU  10   1.730  -1.452  -2.053
   71   1HN   NH2  11          1HN       NH2  11  -1.590  -7.524  -3.162
   72   2HN   NH2  11          2HN       NH2  11  -1.703  -6.066  -4.270
   
  Start of MODEL   11
    1   1H    ACE   1          1HA       ACE   1   4.287  -7.710   0.365
    2   2H    ACE   1          2HA       ACE   1   2.812  -7.681  -0.643
    3   3H    ACE   1          3HA       ACE   1   2.746  -7.120   1.053
    4    H    THR   2           H        THR   2   4.536  -5.477   1.484
    5    HA   THR   2           HA       THR   2   5.304  -3.290   1.413
    6    HB   THR   2           HB       THR   2   6.107  -2.192  -0.741
    7    HG1  THR   2           HG1      THR   2   4.591  -3.270  -2.052
    8   1HG2  THR   2          1HG2      THR   2   7.209  -5.039  -0.386
    9   2HG2  THR   2          2HG2      THR   2   7.996  -3.697  -1.261
   10   3HG2  THR   2          3HG2      THR   2   7.754  -3.591   0.503
   11    H    LYS   3           H        LYS   3   4.245  -1.467   1.752
   12    HA   LYS   3           HA       LYS   3   1.516  -0.959   0.598
   13   1HB   LYS   3          1HB       LYS   3   2.395  -0.892   3.157
   14   2HB   LYS   3          2HB       LYS   3   2.965   0.683   2.553
   15   1HG   LYS   3          1HG       LYS   3   0.546   1.255   2.025
   16   2HG   LYS   3          2HG       LYS   3   0.139  -0.312   2.697
   17   1HD   LYS   3          2HD       LYS   3  -0.399   1.052   4.433
   18   2HD   LYS   3          1HD       LYS   3   1.148   0.427   4.958
   19   1HE   LYS   3          2HE       LYS   3   2.236   2.631   4.227
   20   2HE   LYS   3          1HE       LYS   3   0.643   3.230   3.735
   21   1HZ   LYS   3          2HZ       LYS   3   1.373   2.373   6.499
   22   2HZ   LYS   3          3HZ       LYS   3   1.198   3.934   5.988
   23   3HZ   LYS   3          1HZ       LYS   3  -0.113   2.930   6.042
   24    H    SER   4           H        SER   4   1.109   1.392   0.346
   25    HA   SER   4           HA       SER   4   2.932   2.609  -1.838
   26   1HB   SER   4          1HB       SER   4   0.903   1.688  -2.850
   27   2HB   SER   4          2HB       SER   4  -0.153   2.582  -1.737
   28    HG   SER   4           HG       SER   4   0.140   3.630  -3.717
   29    H    ALA   5           H        ALA   5   2.754   5.009  -2.039
   30    HA   ALA   5           HA       ALA   5   2.810   6.470   0.547
   31   1HB   ALA   5          2HB       ALA   5   4.340   7.058  -1.317
   32   2HB   ALA   5          3HB       ALA   5   2.954   7.441  -2.374
   33   3HB   ALA   5          1HB       ALA   5   3.281   8.444  -0.935
   34    H    GLY   6           H        GLY   6   0.999   7.175   1.489
   35   1HA   GLY   6          2HA       GLY   6  -1.412   7.766   1.682
   36   2HA   GLY   6          1HA       GLY   6  -1.692   7.173   0.033
   37    H    GLY   7           H        GLY   7  -1.111   4.793  -0.296
   38   1HA   GLY   7          2HA       GLY   7  -0.302   2.844   0.467
   39   2HA   GLY   7          1HA       GLY   7  -0.914   3.087   2.099
   40    H    ILE   8           H        ILE   8  -2.508   2.729  -1.172
   41    HA   ILE   8           HA       ILE   8  -4.579   1.546  -0.359
   42    HB   ILE   8           HB       ILE   8  -3.080   1.962  -3.041
   43   1HG1  ILE   8          1HG1      ILE   8  -4.491   3.867  -3.397
   44   2HG1  ILE   8          2HG1      ILE   8  -5.600   3.413  -2.054
   45   1HG2  ILE   8          2HG2      ILE   8  -4.625   0.161  -3.680
   46   2HG2  ILE   8          1HG2      ILE   8  -6.011   1.071  -3.035
   47   3HG2  ILE   8          3HG2      ILE   8  -5.087   1.668  -4.448
   48   1HD1  ILE   8          3HD1      ILE   8  -2.873   4.590  -1.686
   49   2HD1  ILE   8          2HD1      ILE   8  -4.470   5.465  -1.567
   50   3HD1  ILE   8          1HD1      ILE   8  -4.047   4.133  -0.447
   51    H    VAL   9           H        VAL   9  -3.056   0.104   0.711
   52    HA   VAL   9           HA       VAL   9  -1.645  -1.628   0.795
   53    HB   VAL   9           HB       VAL   9  -3.041  -1.167   2.754
   54   1HG1  VAL   9          1HG1      VAL   9  -5.169  -2.314   2.155
   55   2HG1  VAL   9          3HG1      VAL   9  -4.371  -3.898   2.309
   56   3HG1  VAL   9          2HG1      VAL   9  -4.561  -2.834   3.753
   57   1HG2  VAL   9          1HG2      VAL   9  -0.880  -2.319   2.903
   58   2HG2  VAL   9          2HG2      VAL   9  -1.972  -2.908   4.167
   59   3HG2  VAL   9          3HG2      VAL   9  -1.655  -3.896   2.696
   60    H    LEU  10           H        LEU  10  -1.344  -2.034  -1.201
   61    HA   LEU  10           HA       LEU  10  -1.972  -3.591  -3.137
   62   1HB   LEU  10          1HB       LEU  10   0.591  -3.258  -1.498
   63   2HB   LEU  10          2HB       LEU  10   0.549  -3.844  -3.130
   64    HG   LEU  10           HG       LEU  10  -0.300  -2.009  -4.050
   65   1HD1  LEU  10          3HD1      LEU  10  -1.885  -0.916  -2.906
   66   2HD1  LEU  10          2HD1      LEU  10  -0.755  -0.205  -1.734
   67   3HD1  LEU  10          1HD1      LEU  10  -0.732   0.293  -3.483
   68   1HD2  LEU  10          2HD2      LEU  10   2.252  -2.001  -3.326
   69   2HD2  LEU  10          1HD2      LEU  10   1.700  -0.306  -3.550
   70   3HD2  LEU  10          3HD2      LEU  10   1.735  -1.042  -1.911
   71   1HN   NH2  11          1HN       NH2  11  -0.804  -5.361  -0.140
   72   2HN   NH2  11          2HN       NH2  11  -1.036  -7.016  -0.898
   
  Start of MODEL   12
    1   1H    ACE   1          1HA       ACE   1   1.819  -5.883   1.253
    2   2H    ACE   1          2HA       ACE   1   1.124  -4.694   0.113
    3   3H    ACE   1          3HA       ACE   1   0.848  -6.442  -0.139
    4    H    THR   2           H        THR   2   4.713  -5.268  -1.290
    5    HA   THR   2           HA       THR   2   3.697  -4.084   1.297
    6    HB   THR   2           HB       THR   2   5.906  -2.788   1.312
    7    HG1  THR   2           HG1      THR   2   6.210  -2.929  -0.940
    8   1HG2  THR   2          1HG2      THR   2   5.829  -4.913   2.607
    9   2HG2  THR   2          2HG2      THR   2   6.316  -5.829   1.155
   10   3HG2  THR   2          3HG2      THR   2   7.436  -4.645   1.881
   11    H    LYS   3           H        LYS   3   2.532  -2.262   1.246
   12    HA   LYS   3           HA       LYS   3   1.614  -1.071  -0.889
   13   1HB   LYS   3          2HB       LYS   3   0.234  -0.502   0.667
   14   2HB   LYS   3          1HB       LYS   3   0.973  -1.528   1.706
   15   1HG   LYS   3          1HG       LYS   3   1.330   1.505   1.782
   16   2HG   LYS   3          2HG       LYS   3   0.211   0.484   2.726
   17   1HD   LYS   3          2HD       LYS   3   1.885  -0.656   3.886
   18   2HD   LYS   3          1HD       LYS   3   3.223   0.111   2.994
   19   1HE   LYS   3          1HE       LYS   3   2.546   2.361   3.969
   20   2HE   LYS   3          2HE       LYS   3   1.247   1.571   4.885
   21   1HZ   LYS   3          2HZ       LYS   3   4.150   0.941   5.145
   22   2HZ   LYS   3          3HZ       LYS   3   3.248   1.810   6.222
   23   3HZ   LYS   3          1HZ       LYS   3   2.938   0.204   5.993
   24    H    SER   4           H        SER   4   1.294   1.194  -1.290
   25    HA   SER   4           HA       SER   4   3.864   2.883  -1.468
   26   1HB   SER   4          1HB       SER   4   1.500   2.700  -3.420
   27   2HB   SER   4          2HB       SER   4   2.809   3.891  -3.490
   28    HG   SER   4           HG       SER   4   4.286   2.158  -3.588
   29    H    ALA   5           H        ALA   5   3.550   5.183  -1.258
   30    HA   ALA   5           HA       ALA   5   2.474   5.993   1.159
   31   1HB   ALA   5          2HB       ALA   5   4.156   7.266  -0.165
   32   2HB   ALA   5          3HB       ALA   5   2.902   7.752  -1.340
   33   3HB   ALA   5          1HB       ALA   5   2.839   8.349   0.338
   34    H    GLY   6           H        GLY   6   0.671   6.975   1.985
   35   1HA   GLY   6          2HA       GLY   6  -1.652   7.688   2.075
   36   2HA   GLY   6          1HA       GLY   6  -1.863   7.356   0.370
   37    H    GLY   7           H        GLY   7  -0.427   4.520   1.631
   38   1HA   GLY   7          1HA       GLY   7  -1.126   2.610   2.609
   39   2HA   GLY   7          2HA       GLY   7  -2.727   3.292   2.957
   40    H    ILE   8           H        ILE   8  -1.469   3.181  -0.450
   41    HA   ILE   8           HA       ILE   8  -3.152   1.714  -1.516
   42    HB   ILE   8           HB       ILE   8  -0.318   2.721  -2.153
   43   1HG1  ILE   8          1HG1      ILE   8  -1.349   4.476  -3.362
   44   2HG1  ILE   8          2HG1      ILE   8  -2.960   3.681  -3.358
   45   1HG2  ILE   8          1HG2      ILE   8  -0.597   0.810  -3.715
   46   2HG2  ILE   8          3HG2      ILE   8  -2.117   1.501  -4.327
   47   3HG2  ILE   8          2HG2      ILE   8  -0.563   2.353  -4.577
   48   1HD1  ILE   8          1HD1      ILE   8  -1.788   5.139  -1.025
   49   2HD1  ILE   8          2HD1      ILE   8  -3.082   5.713  -2.167
   50   3HD1  ILE   8          3HD1      ILE   8  -3.348   4.290  -1.118
   51    H    VAL   9           H        VAL   9  -3.135   0.144  -0.084
   52    HA   VAL   9           HA       VAL   9  -1.311  -2.064   0.192
   53    HB   VAL   9           HB       VAL   9  -2.013  -0.420   1.957
   54   1HG1  VAL   9          1HG1      VAL   9  -4.446  -0.428   1.709
   55   2HG1  VAL   9          3HG1      VAL   9  -4.540  -2.087   2.340
   56   3HG1  VAL   9          2HG1      VAL   9  -3.961  -0.743   3.401
   57   1HG2  VAL   9          3HG2      VAL   9  -0.721  -2.571   2.460
   58   2HG2  VAL   9          1HG2      VAL   9  -1.685  -2.014   3.835
   59   3HG2  VAL   9          2HG2      VAL   9  -2.238  -3.379   2.800
   60    H    LEU  10           H        LEU  10  -2.149  -2.550  -1.812
   61    HA   LEU  10           HA       LEU  10  -3.025  -4.701  -3.003
   62   1HB   LEU  10          2HB       LEU  10  -0.430  -3.683  -1.731
   63   2HB   LEU  10          1HB       LEU  10  -0.464  -4.954  -2.909
   64    HG   LEU  10           HG       LEU  10  -1.290  -3.787  -4.536
   65   1HD1  LEU  10          1HD1      LEU  10  -2.974  -2.338  -4.046
   66   2HD1  LEU  10          3HD1      LEU  10  -1.851  -1.051  -3.573
   67   3HD1  LEU  10          2HD1      LEU  10  -1.855  -1.659  -5.258
   68   1HD2  LEU  10          1HD2      LEU  10   1.243  -3.325  -3.872
   69   2HD2  LEU  10          2HD2      LEU  10   0.658  -1.963  -4.885
   70   3HD2  LEU  10          3HD2      LEU  10   0.644  -1.836  -3.097
   71   1HN   NH2  11          1HN       NH2  11  -2.743  -6.968  -2.858
   72   2HN   NH2  11          2HN       NH2  11  -2.486  -7.853  -1.272
   
  Start of MODEL   13
    1   1H    ACE   1          1HA       ACE   1   2.910  -2.614   3.986
    2   2H    ACE   1          2HA       ACE   1   4.625  -3.001   4.310
    3   3H    ACE   1          3HA       ACE   1   3.331  -3.886   5.169
    4    H    THR   2           H        THR   2   3.830  -5.216   1.216
    5    HA   THR   2           HA       THR   2   4.959  -2.485   1.847
    6    HB   THR   2           HB       THR   2   5.602  -2.425  -0.635
    7    HG1  THR   2           HG1      THR   2   4.744  -5.127  -0.482
    8   1HG2  THR   2          3HG2      THR   2   7.347  -3.176   0.975
    9   2HG2  THR   2          1HG2      THR   2   6.766  -4.858   0.838
   10   3HG2  THR   2          2HG2      THR   2   7.472  -4.040  -0.582
   11    H    LYS   3           H        LYS   3   3.715  -0.723   1.639
   12    HA   LYS   3           HA       LYS   3   1.128  -0.695   0.198
   13   1HB   LYS   3          1HB       LYS   3   2.446   0.064   2.832
   14   2HB   LYS   3          2HB       LYS   3   1.718   1.372   2.026
   15   1HG   LYS   3          1HG       LYS   3  -0.487  -0.064   1.965
   16   2HG   LYS   3          2HG       LYS   3   0.472  -1.270   2.858
   17   1HD   LYS   3          2HD       LYS   3   0.767   0.060   4.758
   18   2HD   LYS   3          1HD       LYS   3   0.047   1.513   4.041
   19   1HE   LYS   3          2HE       LYS   3  -2.187   0.287   3.916
   20   2HE   LYS   3          1HE       LYS   3  -1.442  -1.130   4.681
   21   1HZ   LYS   3          1HZ       LYS   3  -1.600   1.588   5.899
   22   2HZ   LYS   3          2HZ       LYS   3  -2.528   0.286   6.315
   23   3HZ   LYS   3          3HZ       LYS   3  -0.903   0.268   6.609
   24    H    SER   4           H        SER   4   0.462   1.445  -0.520
   25    HA   SER   4           HA       SER   4   2.432   2.766  -2.436
   26   1HB   SER   4          1HB       SER   4  -0.572   3.180  -1.966
   27   2HB   SER   4          2HB       SER   4   0.401   4.017  -3.181
   28    HG   SER   4           HG       SER   4   0.937   1.989  -4.063
   29    H    ALA   5           H        ALA   5   2.513   5.209  -2.483
   30    HA   ALA   5           HA       ALA   5   3.113   6.452   0.129
   31   1HB   ALA   5          2HB       ALA   5   4.329   7.061  -1.934
   32   2HB   ALA   5          3HB       ALA   5   2.824   7.655  -2.688
   33   3HB   ALA   5          1HB       ALA   5   3.503   8.495  -1.269
   34    H    GLY   6           H        GLY   6   1.349   6.415   1.380
   35   1HA   GLY   6          2HA       GLY   6  -0.998   7.562   1.844
   36   2HA   GLY   6          1HA       GLY   6  -1.421   6.861   0.261
   37    H    GLY   7           H        GLY   7  -0.770   4.450   0.099
   38   1HA   GLY   7          2HA       GLY   7   0.017   2.593   1.187
   39   2HA   GLY   7          1HA       GLY   7  -0.981   2.903   2.619
   40    H    ILE   8           H        ILE   8  -1.440   2.242  -0.885
   41    HA   ILE   8           HA       ILE   8  -4.051   1.341  -0.494
   42    HB   ILE   8           HB       ILE   8  -2.211   1.768  -2.890
   43   1HG1  ILE   8          2HG1      ILE   8  -2.679   3.706  -1.508
   44   2HG1  ILE   8          1HG1      ILE   8  -2.992   3.867  -3.165
   45   1HG2  ILE   8          2HG2      ILE   8  -3.932   0.199  -3.795
   46   2HG2  ILE   8          1HG2      ILE   8  -5.219   1.285  -3.216
   47   3HG2  ILE   8          3HG2      ILE   8  -4.095   1.813  -4.495
   48   1HD1  ILE   8          3HD1      ILE   8  -4.896   3.539  -0.770
   49   2HD1  ILE   8          1HD1      ILE   8  -4.532   5.094  -1.607
   50   3HD1  ILE   8          2HD1      ILE   8  -5.504   3.795  -2.442
   51    H    VAL   9           H        VAL   9  -2.866  -0.223   0.739
   52    HA   VAL   9           HA       VAL   9  -1.608  -2.115   0.916
   53    HB   VAL   9           HB       VAL   9  -3.240  -1.559   2.661
   54   1HG1  VAL   9          3HG1      VAL   9  -5.356  -2.409   1.668
   55   2HG1  VAL   9          2HG1      VAL   9  -4.785  -4.084   1.866
   56   3HG1  VAL   9          1HG1      VAL   9  -5.079  -3.050   3.314
   57   1HG2  VAL   9          3HG2      VAL   9  -1.276  -2.958   3.084
   58   2HG2  VAL   9          1HG2      VAL   9  -2.619  -3.469   4.120
   59   3HG2  VAL   9          2HG2      VAL   9  -2.173  -4.425   2.661
   60    H    LEU  10           H        LEU  10  -1.204  -2.472  -1.047
   61    HA   LEU  10           HA       LEU  10  -2.288  -3.650  -3.001
   62   1HB   LEU  10          1HB       LEU  10   0.637  -3.753  -2.219
   63   2HB   LEU  10          2HB       LEU  10   0.130  -4.037  -3.858
   64    HG   LEU  10           HG       LEU  10  -0.914  -1.490  -2.607
   65   1HD1  LEU  10          2HD2      LEU  10   1.397  -1.487  -1.820
   66   2HD1  LEU  10          3HD2      LEU  10   1.978  -1.563  -3.502
   67   3HD1  LEU  10          1HD2      LEU  10   1.040  -0.140  -2.896
   68   1HD2  LEU  10          1HD1      LEU  10  -1.677  -1.985  -4.785
   69   2HD2  LEU  10          2HD1      LEU  10  -0.814  -0.433  -4.694
   70   3HD2  LEU  10          3HD1      LEU  10   0.003  -1.879  -5.423
   71   1HN   NH2  11          1HN       NH2  11  -0.377  -5.948  -0.854
   72   2HN   NH2  11          2HN       NH2  11  -1.014  -7.435  -1.719
   
  Start of MODEL   14
    1   1H    ACE   1          1HA       ACE   1   2.086  -7.571   0.515
    2   2H    ACE   1          2HA       ACE   1   1.967  -6.696  -1.039
    3   3H    ACE   1          3HA       ACE   1   3.465  -7.578  -0.622
    4    H    THR   2           H        THR   2   3.910  -5.207  -1.349
    5    HA   THR   2           HA       THR   2   4.757  -3.674   1.151
    6    HB   THR   2           HB       THR   2   6.185  -2.284  -0.441
    7    HG1  THR   2           HG1      THR   2   5.392  -4.309  -2.262
    8   1HG2  THR   2          2HG2      THR   2   7.306  -4.166   0.742
    9   2HG2  THR   2          3HG2      THR   2   6.845  -5.281  -0.573
   10   3HG2  THR   2          1HG2      THR   2   7.965  -3.931  -0.899
   11    H    LYS   3           H        LYS   3   3.609  -1.979   1.726
   12    HA   LYS   3           HA       LYS   3   1.407  -0.857   0.252
   13   1HB   LYS   3          2HB       LYS   3   1.216  -1.099   2.394
   14   2HB   LYS   3          1HB       LYS   3   2.735  -0.323   2.982
   15   1HG   LYS   3          2HG       LYS   3   1.659   1.835   2.648
   16   2HG   LYS   3          1HG       LYS   3   0.210   1.037   2.048
   17   1HD   LYS   3          2HD       LYS   3  -0.199   1.807   4.169
   18   2HD   LYS   3          1HD       LYS   3  -0.122   0.055   4.341
   19   1HE   LYS   3          2HE       LYS   3   0.894   0.900   6.324
   20   2HE   LYS   3          1HE       LYS   3   2.273   0.412   5.340
   21   1HZ   LYS   3          3HZ       LYS   3   1.257   3.207   5.633
   22   2HZ   LYS   3          1HZ       LYS   3   2.611   2.589   6.349
   23   3HZ   LYS   3          2HZ       LYS   3   2.555   2.770   4.708
   24    H    SER   4           H        SER   4   1.082   1.219   0.145
   25    HA   SER   4           HA       SER   4   3.058   2.762  -1.726
   26   1HB   SER   4          2HB       SER   4   1.067   2.000  -2.918
   27   2HB   SER   4          1HB       SER   4  -0.026   2.788  -1.762
   28    HG   SER   4           HG       SER   4   0.971   4.769  -2.325
   29    H    ALA   5           H        ALA   5   2.983   5.151  -1.689
   30    HA   ALA   5           HA       ALA   5   2.715   6.429   0.998
   31   1HB   ALA   5          1HB       ALA   5   4.516   7.110  -0.574
   32   2HB   ALA   5          2HB       ALA   5   3.306   7.579  -1.800
   33   3HB   ALA   5          3HB       ALA   5   3.416   8.483  -0.266
   34    H    GLY   6           H        GLY   6   0.789   7.141   1.685
   35   1HA   GLY   6          1HA       GLY   6  -1.629   7.761   1.503
   36   2HA   GLY   6          2HA       GLY   6  -1.648   7.153  -0.166
   37    H    GLY   7           H        GLY   7  -1.063   4.777  -0.406
   38   1HA   GLY   7          1HA       GLY   7  -0.284   2.849   0.440
   39   2HA   GLY   7          2HA       GLY   7  -1.008   3.115   2.022
   40    H    ILE   8           H        ILE   8  -2.344   2.650  -1.346
   41    HA   ILE   8           HA       ILE   8  -4.471   1.465  -0.714
   42    HB   ILE   8           HB       ILE   8  -2.734   1.724  -3.254
   43   1HG1  ILE   8          1HG1      ILE   8  -4.083   3.605  -3.842
   44   2HG1  ILE   8          2HG1      ILE   8  -5.325   3.237  -2.596
   45   1HG2  ILE   8          2HG2      ILE   8  -4.266  -0.130  -3.863
   46   2HG2  ILE   8          1HG2      ILE   8  -5.675   0.844  -3.394
   47   3HG2  ILE   8          3HG2      ILE   8  -4.647   1.319  -4.778
   48   1HD1  ILE   8          1HD1      ILE   8  -2.662   4.473  -2.024
   49   2HD1  ILE   8          3HD1      ILE   8  -4.280   5.313  -2.115
   50   3HD1  ILE   8          2HD1      ILE   8  -3.951   4.059  -0.879
   51    H    VAL   9           H        VAL   9  -3.199   0.127   0.608
   52    HA   VAL   9           HA       VAL   9  -1.671  -1.500   0.918
   53    HB   VAL   9           HB       VAL   9  -3.169  -0.845   2.743
   54   1HG1  VAL   9          2HG1      VAL   9  -5.242  -2.096   2.185
   55   2HG1  VAL   9          1HG1      VAL   9  -4.431  -3.631   2.583
   56   3HG1  VAL   9          3HG1      VAL   9  -4.705  -2.392   3.865
   57   1HG2  VAL   9          3HG2      VAL   9  -0.998  -1.905   3.129
   58   2HG2  VAL   9          1HG2      VAL   9  -2.138  -2.374   4.401
   59   3HG2  VAL   9          2HG2      VAL   9  -1.724  -3.519   3.075
   60    H    LEU  10           H        LEU  10  -1.381  -2.199  -0.948
   61    HA   LEU  10           HA       LEU  10  -2.308  -3.938  -2.558
   62   1HB   LEU  10          2HB       LEU  10   0.611  -3.483  -1.833
   63   2HB   LEU  10          1HB       LEU  10   0.161  -4.216  -3.337
   64    HG   LEU  10           HG       LEU  10  -1.261  -1.612  -2.765
   65   1HD1  LEU  10          2HD2      LEU  10   0.898  -0.995  -1.915
   66   2HD1  LEU  10          3HD2      LEU  10   1.686  -1.465  -3.447
   67   3HD1  LEU  10          1HD2      LEU  10   0.514  -0.093  -3.387
   68   1HD2  LEU  10          3HD1      LEU  10  -1.827  -2.719  -4.744
   69   2HD2  LEU  10          2HD1      LEU  10  -1.184  -1.085  -5.031
   70   3HD2  LEU  10          1HD1      LEU  10  -0.143  -2.537  -5.363
   71   1HN   NH2  11          1HN       NH2  11  -0.605  -7.126  -0.445
   72   2HN   NH2  11          2HN       NH2  11  -0.181  -5.410   0.049
   
  Start of MODEL   15
    1   1H    ACE   1          1HA       ACE   1   1.842  -6.117   0.922
    2   2H    ACE   1          2HA       ACE   1   0.612  -6.601  -0.282
    3   3H    ACE   1          3HA       ACE   1   0.925  -4.869   0.030
    4    H    THR   2           H        THR   2   4.191  -5.329  -2.072
    5    HA   THR   2           HA       THR   2   3.708  -4.401   0.772
    6    HB   THR   2           HB       THR   2   5.974  -3.237   0.545
    7    HG1  THR   2           HG1      THR   2   5.907  -3.157  -1.731
    8   1HG2  THR   2          1HG2      THR   2   5.956  -5.479   1.627
    9   2HG2  THR   2          3HG2      THR   2   6.143  -6.263   0.035
   10   3HG2  THR   2          2HG2      THR   2   7.443  -5.222   0.675
   11    H    LYS   3           H        LYS   3   2.673  -2.521   1.084
   12    HA   LYS   3           HA       LYS   3   1.555  -1.049  -0.746
   13   1HB   LYS   3          2HB       LYS   3   0.444  -0.518   1.105
   14   2HB   LYS   3          1HB       LYS   3   1.283  -1.754   1.864
   15   1HG   LYS   3          2HG       LYS   3   2.883  -0.271   2.799
   16   2HG   LYS   3          1HG       LYS   3   2.036   1.189   2.209
   17   1HD   LYS   3          2HD       LYS   3   1.073  -0.949   4.203
   18   2HD   LYS   3          1HD       LYS   3   1.926   0.492   4.698
   19   1HE   LYS   3          1HE       LYS   3   0.114   1.992   3.913
   20   2HE   LYS   3          2HE       LYS   3  -0.814   0.605   3.326
   21   1HZ   LYS   3          2HZ       LYS   3  -0.879  -0.252   5.614
   22   2HZ   LYS   3          1HZ       LYS   3  -0.012   1.042   6.164
   23   3HZ   LYS   3          3HZ       LYS   3  -1.527   1.266   5.546
   24    H    SER   4           H        SER   4   1.315   1.286  -0.838
   25    HA   SER   4           HA       SER   4   3.932   2.857  -1.167
   26   1HB   SER   4          2HB       SER   4   1.598   2.631  -3.150
   27   2HB   SER   4          1HB       SER   4   2.910   3.819  -3.237
   28    HG   SER   4           HG       SER   4   3.212   0.997  -3.179
   29    H    ALA   5           H        ALA   5   3.628   5.173  -1.044
   30    HA   ALA   5           HA       ALA   5   2.501   6.032   1.338
   31   1HB   ALA   5          2HB       ALA   5   4.237   7.263   0.047
   32   2HB   ALA   5          1HB       ALA   5   3.025   7.750  -1.170
   33   3HB   ALA   5          3HB       ALA   5   2.921   8.371   0.499
   34    H    GLY   6           H        GLY   6   0.657   6.889   2.095
   35   1HA   GLY   6          1HA       GLY   6  -1.625   7.663   2.180
   36   2HA   GLY   6          2HA       GLY   6  -1.725   7.664   0.433
   37    H    GLY   7           H        GLY   7  -0.709   4.637   2.103
   38   1HA   GLY   7          2HA       GLY   7  -1.754   2.778   2.764
   39   2HA   GLY   7          1HA       GLY   7  -3.313   3.625   2.762
   40    H    ILE   8           H        ILE   8  -1.108   2.871   0.114
   41    HA   ILE   8           HA       ILE   8  -3.100   1.728  -1.521
   42    HB   ILE   8           HB       ILE   8  -0.211   2.572  -1.866
   43   1HG1  ILE   8          2HG1      ILE   8  -1.774   4.318  -1.238
   44   2HG1  ILE   8          1HG1      ILE   8  -0.829   4.596  -2.607
   45   1HG2  ILE   8          3HG2      ILE   8  -0.617   0.868  -3.641
   46   2HG2  ILE   8          1HG2      ILE   8  -2.055   1.772  -4.186
   47   3HG2  ILE   8          2HG2      ILE   8  -0.430   2.495  -4.333
   48   1HD1  ILE   8          2HD1      ILE   8  -3.813   3.862  -2.337
   49   2HD1  ILE   8          1HD1      ILE   8  -3.180   5.517  -2.668
   50   3HD1  ILE   8          3HD1      ILE   8  -3.064   4.208  -3.931
   51    H    VAL   9           H        VAL   9  -3.223   0.113  -0.104
   52    HA   VAL   9           HA       VAL   9  -1.297  -1.958   0.405
   53    HB   VAL   9           HB       VAL   9  -2.367  -0.258   2.032
   54   1HG1  VAL   9          1HG2      VAL   9  -4.744  -0.694   1.631
   55   2HG1  VAL   9          2HG2      VAL   9  -4.591  -2.309   2.363
   56   3HG1  VAL   9          3HG2      VAL   9  -4.317  -0.833   3.364
   57   1HG2  VAL   9          1HG1      VAL   9  -0.745  -1.992   2.740
   58   2HG2  VAL   9          3HG1      VAL   9  -1.943  -1.738   4.014
   59   3HG2  VAL   9          2HG1      VAL   9  -2.041  -3.175   2.933
   60    H    LEU  10           H        LEU  10  -1.962  -2.567  -1.644
   61    HA   LEU  10           HA       LEU  10  -2.638  -4.802  -2.815
   62   1HB   LEU  10          1HB       LEU  10  -0.165  -3.578  -1.481
   63   2HB   LEU  10          2HB       LEU  10  -0.072  -4.870  -2.633
   64    HG   LEU  10           HG       LEU  10  -0.926  -3.792  -4.310
   65   1HD1  LEU  10          2HD1      LEU  10  -2.718  -2.453  -3.900
   66   2HD1  LEU  10          3HD1      LEU  10  -1.702  -1.087  -3.408
   67   3HD1  LEU  10          1HD1      LEU  10  -1.609  -1.713  -5.085
   68   1HD2  LEU  10          1HD2      LEU  10   1.547  -3.147  -3.579
   69   2HD2  LEU  10          3HD2      LEU  10   0.904  -1.845  -4.634
   70   3HD2  LEU  10          2HD2      LEU  10   0.826  -1.690  -2.851
   71   1HN   NH2  11          1HN       NH2  11  -1.935  -7.873  -0.995
   72   2HN   NH2  11          2HN       NH2  11  -2.193  -7.041  -2.610
   
  Start of MODEL   16
    1   1H    ACE   1          1HA       ACE   1   2.784  -4.225   2.526
    2   2H    ACE   1          2HA       ACE   1   2.908  -5.939   3.017
    3   3H    ACE   1          3HA       ACE   1   4.390  -4.979   2.742
    4    H    THR   2           H        THR   2   3.705  -5.409  -1.072
    5    HA   THR   2           HA       THR   2   4.929  -3.364   0.793
    6    HB   THR   2           HB       THR   2   5.831  -2.283  -1.353
    7    HG1  THR   2           HG1      THR   2   4.250  -3.215  -2.694
    8   1HG2  THR   2          1HG2      THR   2   7.357  -3.818  -0.116
    9   2HG2  THR   2          2HG2      THR   2   6.708  -5.210  -1.023
   10   3HG2  THR   2          3HG2      THR   2   7.601  -3.926  -1.881
   11    H    LYS   3           H        LYS   3   3.833  -1.595   1.270
   12    HA   LYS   3           HA       LYS   3   1.194  -0.904   0.053
   13   1HB   LYS   3          1HB       LYS   3   1.966  -1.027   2.636
   14   2HB   LYS   3          2HB       LYS   3   2.592   0.575   2.140
   15   1HG   LYS   3          1HG       LYS   3   0.269   1.276   1.592
   16   2HG   LYS   3          2HG       LYS   3  -0.256  -0.326   2.098
   17   1HD   LYS   3          2HD       LYS   3  -0.834   0.926   3.911
   18   2HD   LYS   3          1HD       LYS   3   0.635   0.149   4.461
   19   1HE   LYS   3          1HE       LYS   3   1.908   2.326   4.025
   20   2HE   LYS   3          2HE       LYS   3   0.399   3.085   3.494
   21   1HZ   LYS   3          3HZ       LYS   3   0.871   1.919   6.200
   22   2HZ   LYS   3          2HZ       LYS   3   0.838   3.530   5.836
   23   3HZ   LYS   3          1HZ       LYS   3  -0.539   2.626   5.706
   24    H    SER   4           H        SER   4   0.786   1.449  -0.160
   25    HA   SER   4           HA       SER   4   2.837   2.852  -1.979
   26   1HB   SER   4          1HB       SER   4   1.168   3.569  -3.298
   27   2HB   SER   4          2HB       SER   4   0.151   2.310  -2.631
   28    HG   SER   4           HG       SER   4   0.389   4.990  -1.714
   29    H    ALA   5           H        ALA   5   2.899   5.287  -1.659
   30    HA   ALA   5           HA       ALA   5   3.192   6.079   1.209
   31   1HB   ALA   5          3HB       ALA   5   4.747   6.898  -0.537
   32   2HB   ALA   5          2HB       ALA   5   3.401   7.682  -1.412
   33   3HB   ALA   5          1HB       ALA   5   3.875   8.266   0.204
   34    H    GLY   6           H        GLY   6   1.068   5.528   1.847
   35   1HA   GLY   6          2HA       GLY   6  -1.089   6.198   2.691
   36   2HA   GLY   6          1HA       GLY   6  -1.016   7.681   1.730
   37    H    GLY   7           H        GLY   7  -2.474   4.433  -0.516
   38   1HA   GLY   7          1HA       GLY   7  -0.361   3.372   0.378
   39   2HA   GLY   7          2HA       GLY   7  -1.159   3.640   1.970
   40    H    ILE   8           H        ILE   8  -1.555   2.093  -1.193
   41    HA   ILE   8           HA       ILE   8  -4.167   1.456  -0.645
   42    HB   ILE   8           HB       ILE   8  -2.393   1.237  -3.088
   43   1HG1  ILE   8          2HG1      ILE   8  -2.370   3.361  -2.167
   44   2HG1  ILE   8          1HG1      ILE   8  -2.941   3.378  -3.760
   45   1HG2  ILE   8          3HG2      ILE   8  -4.497  -0.107  -3.600
   46   2HG2  ILE   8          1HG2      ILE   8  -5.472   1.328  -3.204
   47   3HG2  ILE   8          2HG2      ILE   8  -4.371   1.338  -4.607
   48   1HD1  ILE   8          1HD1      ILE   8  -4.336   3.788  -1.058
   49   2HD1  ILE   8          3HD1      ILE   8  -3.873   5.094  -2.201
   50   3HD1  ILE   8          2HD1      ILE   8  -5.238   3.946  -2.610
   51    H    VAL   9           H        VAL   9  -3.058  -0.007   0.789
   52    HA   VAL   9           HA       VAL   9  -1.682  -1.772   1.076
   53    HB   VAL   9           HB       VAL   9  -3.227  -1.138   2.880
   54   1HG1  VAL   9          2HG2      VAL   9  -5.327  -2.262   2.161
   55   2HG1  VAL   9          3HG2      VAL   9  -4.598  -3.853   2.490
   56   3HG1  VAL   9          1HG2      VAL   9  -4.880  -2.689   3.838
   57   1HG2  VAL   9          3HG1      VAL   9  -1.125  -2.320   3.296
   58   2HG2  VAL   9          1HG1      VAL   9  -2.342  -2.814   4.486
   59   3HG2  VAL   9          2HG1      VAL   9  -1.917  -3.893   3.109
   60    H    LEU  10           H        LEU  10  -1.431  -2.297  -0.891
   61    HA   LEU  10           HA       LEU  10  -2.549  -3.876  -2.556
   62   1HB   LEU  10          2HB       LEU  10   0.425  -3.421  -2.144
   63   2HB   LEU  10          1HB       LEU  10  -0.200  -3.996  -3.658
   64    HG   LEU  10           HG       LEU  10  -1.524  -1.498  -2.603
   65   1HD1  LEU  10          1HD2      LEU  10   0.783  -0.982  -2.071
   66   2HD1  LEU  10          3HD2      LEU  10   1.243  -1.201  -3.779
   67   3HD1  LEU  10          2HD2      LEU  10   0.106   0.114  -3.277
   68   1HD2  LEU  10          3HD1      LEU  10  -2.395  -2.396  -4.596
   69   2HD2  LEU  10          1HD1      LEU  10  -1.812  -0.727  -4.788
   70   3HD2  LEU  10          2HD1      LEU  10  -0.828  -2.107  -5.436
   71   1HN   NH2  11          1HN       NH2  11  -1.721  -7.433  -2.430
   72   2HN   NH2  11          2HN       NH2  11  -2.580  -6.049  -3.276
   
  Start of MODEL   17
    1   1H    ACE   1          1HA       ACE   1   2.996  -7.716  -0.328
    2   2H    ACE   1          2HA       ACE   1   1.392  -7.511   0.433
    3   3H    ACE   1          3HA       ACE   1   1.741  -6.737  -1.140
    4    H    THR   2           H        THR   2   3.891  -5.494  -1.002
    5    HA   THR   2           HA       THR   2   4.201  -3.825   1.538
    6    HB   THR   2           HB       THR   2   6.165  -2.733   0.329
    7    HG1  THR   2           HG1      THR   2   5.669  -4.835  -1.510
    8   1HG2  THR   2          1HG2      THR   2   6.689  -4.594   1.897
    9   2HG2  THR   2          2HG2      THR   2   6.479  -5.778   0.579
   10   3HG2  THR   2          3HG2      THR   2   7.796  -4.576   0.498
   11    H    LYS   3           H        LYS   3   3.134  -1.978   1.654
   12    HA   LYS   3           HA       LYS   3   1.491  -0.874  -0.253
   13   1HB   LYS   3          2HB       LYS   3   0.835  -0.553   1.770
   14   2HB   LYS   3          1HB       LYS   3   2.436  -0.216   2.547
   15   1HG   LYS   3          2HG       LYS   3   2.132   2.087   1.758
   16   2HG   LYS   3          1HG       LYS   3   0.537   1.684   1.172
   17   1HD   LYS   3          2HD       LYS   3   0.246   2.746   3.098
   18   2HD   LYS   3          1HD       LYS   3  -0.051   1.102   3.615
   19   1HE   LYS   3          1HE       LYS   3   1.097   2.050   5.465
   20   2HE   LYS   3          2HE       LYS   3   2.367   1.145   4.640
   21   1HZ   LYS   3          1HZ       LYS   3   1.909   4.090   4.411
   22   2HZ   LYS   3          3HZ       LYS   3   3.109   3.361   5.281
   23   3HZ   LYS   3          2HZ       LYS   3   3.107   3.261   3.632
   24    H    SER   4           H        SER   4   1.296   1.153  -0.820
   25    HA   SER   4           HA       SER   4   3.720   2.774  -1.829
   26   1HB   SER   4          1HB       SER   4   2.680   1.798  -3.853
   27   2HB   SER   4          2HB       SER   4   1.125   2.537  -3.434
   28    HG   SER   4           HG       SER   4   2.174   4.563  -3.448
   29    H    ALA   5           H        ALA   5   3.402   5.064  -1.665
   30    HA   ALA   5           HA       ALA   5   2.700   5.842   0.877
   31   1HB   ALA   5          3HB       ALA   5   4.187   7.121  -0.648
   32   2HB   ALA   5          1HB       ALA   5   2.783   7.659  -1.611
   33   3HB   ALA   5          2HB       ALA   5   2.983   8.212   0.074
   34    H    GLY   6           H        GLY   6   1.021   6.560   1.989
   35   1HA   GLY   6          1HA       GLY   6  -1.154   7.391   2.577
   36   2HA   GLY   6          2HA       GLY   6  -1.505   7.713   0.891
   37    H    GLY   7           H        GLY   7  -0.659   4.430   2.255
   38   1HA   GLY   7          1HA       GLY   7  -1.897   2.653   2.873
   39   2HA   GLY   7          2HA       GLY   7  -3.354   3.632   2.885
   40    H    ILE   8           H        ILE   8  -1.202   2.822   0.143
   41    HA   ILE   8           HA       ILE   8  -3.269   1.549  -1.312
   42    HB   ILE   8           HB       ILE   8  -0.420   2.302  -1.897
   43   1HG1  ILE   8          2HG1      ILE   8  -1.844   4.158  -1.281
   44   2HG1  ILE   8          1HG1      ILE   8  -1.002   4.311  -2.731
   45   1HG2  ILE   8          3HG2      ILE   8  -1.193   0.476  -3.520
   46   2HG2  ILE   8          2HG2      ILE   8  -2.539   1.527  -4.005
   47   3HG2  ILE   8          1HG2      ILE   8  -0.865   2.028  -4.342
   48   1HD1  ILE   8          2HD1      ILE   8  -3.964   3.711  -2.154
   49   2HD1  ILE   8          1HD1      ILE   8  -3.311   5.324  -2.646
   50   3HD1  ILE   8          3HD1      ILE   8  -3.353   3.928  -3.830
   51    H    VAL   9           H        VAL   9  -3.265   0.032   0.262
   52    HA   VAL   9           HA       VAL   9  -1.183  -1.729   1.063
   53    HB   VAL   9           HB       VAL   9  -4.036  -1.268   2.068
   54   1HG1  VAL   9          3HG1      VAL   9  -3.568  -3.685   2.640
   55   2HG1  VAL   9          2HG1      VAL   9  -2.093  -3.227   3.501
   56   3HG1  VAL   9          1HG1      VAL   9  -3.699  -2.710   4.116
   57   1HG2  VAL   9          2HG2      VAL   9  -2.294   0.477   2.584
   58   2HG2  VAL   9          1HG2      VAL   9  -2.969  -0.211   4.070
   59   3HG2  VAL   9          3HG2      VAL   9  -1.345  -0.705   3.488
   60    H    LEU  10           H        LEU  10  -1.241  -2.355  -1.027
   61    HA   LEU  10           HA       LEU  10  -2.649  -3.845  -2.539
   62   1HB   LEU  10          2HB       LEU  10   0.368  -3.910  -2.203
   63   2HB   LEU  10          1HB       LEU  10  -0.390  -4.505  -3.643
   64    HG   LEU  10           HG       LEU  10  -1.270  -1.719  -2.852
   65   1HD1  LEU  10          2HD2      LEU  10   1.107  -1.547  -2.337
   66   2HD1  LEU  10          1HD2      LEU  10   1.553  -2.161  -3.949
   67   3HD1  LEU  10          3HD2      LEU  10   0.747  -0.557  -3.756
   68   1HD2  LEU  10          1HD1      LEU  10  -2.275  -2.633  -4.736
   69   2HD2  LEU  10          3HD1      LEU  10  -1.385  -1.135  -5.103
   70   3HD2  LEU  10          2HD1      LEU  10  -0.687  -2.744  -5.583
   71   1HN   NH2  11          1HN       NH2  11  -1.255  -7.360  -0.742
   72   2HN   NH2  11          2HN       NH2  11  -0.415  -5.780  -0.335
   
  Start of MODEL   18
    1   1H    ACE   1          1HA       ACE   1   3.281  -6.455  -3.551
    2   2H    ACE   1          2HA       ACE   1   3.411  -8.018  -2.694
    3   3H    ACE   1          3HA       ACE   1   4.882  -7.063  -3.039
    4    H    THR   2           H        THR   2   4.565  -4.718  -2.293
    5    HA   THR   2           HA       THR   2   3.368  -4.524   0.512
    6    HB   THR   2           HB       THR   2   6.156  -3.396  -0.102
    7    HG1  THR   2           HG1      THR   2   7.002  -5.257   0.905
    8   1HG2  THR   2          2HG2      THR   2   5.114  -2.579   2.020
    9   2HG2  THR   2          3HG2      THR   2   4.929  -4.261   2.586
   10   3HG2  THR   2          1HG2      THR   2   6.558  -3.572   2.352
   11    H    LYS   3           H        LYS   3   2.995  -2.484   1.163
   12    HA   LYS   3           HA       LYS   3   1.527  -0.979  -0.724
   13   1HB   LYS   3          2HB       LYS   3   0.634  -1.197   1.200
   14   2HB   LYS   3          1HB       LYS   3   1.969  -0.913   2.331
   15   1HG   LYS   3          1HG       LYS   3   0.059   0.948   0.957
   16   2HG   LYS   3          2HG       LYS   3   0.012   0.439   2.631
   17   1HD   LYS   3          1HD       LYS   3   2.156   2.270   1.488
   18   2HD   LYS   3          2HD       LYS   3   0.611   2.696   2.221
   19   1HE   LYS   3          1HE       LYS   3   2.766   1.164   3.794
   20   2HE   LYS   3          2HE       LYS   3   2.771   2.923   3.682
   21   1HZ   LYS   3          2HZ       LYS   3   0.564   2.966   4.710
   22   2HZ   LYS   3          3HZ       LYS   3   0.541   1.318   4.828
   23   3HZ   LYS   3          1HZ       LYS   3   1.651   2.192   5.684
   24    H    SER   4           H        SER   4   1.362   1.147  -0.783
   25    HA   SER   4           HA       SER   4   3.902   2.847  -1.263
   26   1HB   SER   4          2HB       SER   4   3.272   1.977  -3.484
   27   2HB   SER   4          1HB       SER   4   1.658   2.688  -3.353
   28    HG   SER   4           HG       SER   4   2.668   4.719  -3.068
   29    H    ALA   5           H        ALA   5   3.576   5.115  -1.078
   30    HA   ALA   5           HA       ALA   5   2.536   5.847   1.331
   31   1HB   ALA   5          2HB       ALA   5   4.177   7.173   0.012
   32   2HB   ALA   5          3HB       ALA   5   2.889   7.712  -1.101
   33   3HB   ALA   5          1HB       ALA   5   2.882   8.236   0.603
   34    H    GLY   6           H        GLY   6   0.774   6.719   2.264
   35   1HA   GLY   6          1HA       GLY   6  -1.506   7.410   2.593
   36   2HA   GLY   6          2HA       GLY   6  -1.715   7.603   0.865
   37    H    GLY   7           H        GLY   7  -0.609   4.381   1.979
   38   1HA   GLY   7          2HA       GLY   7  -1.599   2.411   2.375
   39   2HA   GLY   7          1HA       GLY   7  -3.162   3.206   2.633
   40    H    ILE   8           H        ILE   8  -1.047   2.902  -0.222
   41    HA   ILE   8           HA       ILE   8  -3.021   1.817  -1.900
   42    HB   ILE   8           HB       ILE   8  -0.066   2.371  -2.140
   43   1HG1  ILE   8          2HG1      ILE   8  -1.337   4.279  -1.582
   44   2HG1  ILE   8          1HG1      ILE   8  -0.432   4.447  -2.994
   45   1HG2  ILE   8          3HG2      ILE   8  -0.689   0.707  -3.945
   46   2HG2  ILE   8          1HG2      ILE   8  -1.927   1.845  -4.537
   47   3HG2  ILE   8          2HG2      ILE   8  -0.198   2.282  -4.617
   48   1HD1  ILE   8          2HD1      ILE   8  -3.447   4.072  -2.516
   49   2HD1  ILE   8          1HD1      ILE   8  -2.649   5.640  -2.904
   50   3HD1  ILE   8          3HD1      ILE   8  -2.789   4.326  -4.171
   51    H    VAL   9           H        VAL   9  -3.261   0.284  -0.375
   52    HA   VAL   9           HA       VAL   9  -1.388  -1.707   0.406
   53    HB   VAL   9           HB       VAL   9  -2.380   0.139   1.807
   54   1HG1  VAL   9          1HG1      VAL   9  -4.784  -0.194   1.401
   55   2HG1  VAL   9          3HG1      VAL   9  -4.743  -1.725   2.308
   56   3HG1  VAL   9          2HG1      VAL   9  -4.400  -0.164   3.148
   57   1HG2  VAL   9          1HG2      VAL   9  -0.895  -1.623   2.748
   58   2HG2  VAL   9          3HG2      VAL   9  -2.081  -1.097   3.951
   59   3HG2  VAL   9          2HG2      VAL   9  -2.291  -2.653   3.072
   60    H    LEU  10           H        LEU  10  -2.016  -2.577  -1.567
   61    HA   LEU  10           HA       LEU  10  -2.715  -4.934  -2.460
   62   1HB   LEU  10          1HB       LEU  10  -0.236  -3.578  -1.277
   63   2HB   LEU  10          2HB       LEU  10  -0.156  -5.006  -2.257
   64    HG   LEU  10           HG       LEU  10  -0.996  -4.137  -4.058
   65   1HD1  LEU  10          2HD1      LEU  10  -2.766  -2.706  -3.789
   66   2HD1  LEU  10          3HD1      LEU  10  -1.700  -1.305  -3.561
   67   3HD1  LEU  10          1HD1      LEU  10  -1.665  -2.213  -5.102
   68   1HD2  LEU  10          2HD2      LEU  10   1.486  -3.454  -3.416
   69   2HD2  LEU  10          3HD2      LEU  10   0.865  -2.283  -4.628
   70   3HD2  LEU  10          1HD2      LEU  10   0.795  -1.902  -2.878
   71   1HN   NH2  11          1HN       NH2  11  -3.095  -6.999  -1.679
   72   2HN   NH2  11          2HN       NH2  11  -2.490  -7.664  -0.079
   
  Start of MODEL   19
    1   1H    ACE   1          1HA       ACE   1   3.314  -7.673  -1.570
    2   2H    ACE   1          2HA       ACE   1   1.573  -7.566  -1.178
    3   3H    ACE   1          3HA       ACE   1   2.269  -6.519  -2.449
    4    H    THR   2           H        THR   2   4.321  -5.402  -1.568
    5    HA   THR   2           HA       THR   2   3.972  -4.222   1.230
    6    HB   THR   2           HB       THR   2   6.136  -2.975   0.754
    7    HG1  THR   2           HG1      THR   2   6.161  -4.693  -1.506
    8   1HG2  THR   2          3HG2      THR   2   6.318  -5.102   2.032
    9   2HG2  THR   2          2HG2      THR   2   6.467  -6.019   0.508
   10   3HG2  THR   2          1HG2      THR   2   7.731  -4.849   0.972
   11    H    LYS   3           H        LYS   3   2.838  -2.389   1.421
   12    HA   LYS   3           HA       LYS   3   1.516  -1.170  -0.473
   13   1HB   LYS   3          2HB       LYS   3   0.507  -0.551   1.371
   14   2HB   LYS   3          1HB       LYS   3   1.456  -1.619   2.233
   15   1HG   LYS   3          2HG       LYS   3   2.885   0.064   3.075
   16   2HG   LYS   3          1HG       LYS   3   2.083   1.372   2.165
   17   1HD   LYS   3          2HD       LYS   3   0.946  -0.406   4.395
   18   2HD   LYS   3          1HD       LYS   3   1.697   1.140   4.686
   19   1HE   LYS   3          1HE       LYS   3  -0.074   2.378   3.463
   20   2HE   LYS   3          2HE       LYS   3  -0.899   0.859   3.061
   21   1HZ   LYS   3          2HZ       LYS   3  -0.396   1.856   5.829
   22   2HZ   LYS   3          3HZ       LYS   3  -1.849   1.886   5.043
   23   3HZ   LYS   3          1HZ       LYS   3  -1.163   0.441   5.455
   24    H    SER   4           H        SER   4   1.127   1.099  -0.790
   25    HA   SER   4           HA       SER   4   3.637   2.733  -1.528
   26   1HB   SER   4          2HB       SER   4   0.954   2.500  -2.995
   27   2HB   SER   4          1HB       SER   4   2.251   3.641  -3.391
   28    HG   SER   4           HG       SER   4   2.364   1.726  -4.603
   29    H    ALA   5           H        ALA   5   3.476   4.992  -1.256
   30    HA   ALA   5           HA       ALA   5   2.466   5.920   1.207
   31   1HB   ALA   5          1HB       ALA   5   4.333   6.974  -0.060
   32   2HB   ALA   5          2HB       ALA   5   3.192   7.574  -1.295
   33   3HB   ALA   5          3HB       ALA   5   3.124   8.206   0.371
   34    H    GLY   6           H        GLY   6   0.724   7.100   1.929
   35   1HA   GLY   6          1HA       GLY   6  -1.501   8.178   1.728
   36   2HA   GLY   6          2HA       GLY   6  -1.726   7.457   0.125
   37    H    GLY   7           H        GLY   7  -1.699   5.019   0.139
   38   1HA   GLY   7          2HA       GLY   7  -1.229   3.319   1.772
   39   2HA   GLY   7          1HA       GLY   7  -2.822   3.657   2.520
   40    H    ILE   8           H        ILE   8  -2.202   3.104  -1.106
   41    HA   ILE   8           HA       ILE   8  -3.803   1.324  -1.512
   42    HB   ILE   8           HB       ILE   8  -1.242   2.279  -2.880
   43   1HG1  ILE   8          1HG1      ILE   8  -2.606   3.683  -4.214
   44   2HG1  ILE   8          2HG1      ILE   8  -4.135   2.891  -3.710
   45   1HG2  ILE   8          3HG2      ILE   8  -1.751   0.031  -3.869
   46   2HG2  ILE   8          2HG2      ILE   8  -3.380   0.568  -4.303
   47   3HG2  ILE   8          1HG2      ILE   8  -1.943   1.331  -5.051
   48   1HD1  ILE   8          3HD1      ILE   8  -2.581   4.829  -2.040
   49   2HD1  ILE   8          1HD1      ILE   8  -4.121   5.135  -2.970
   50   3HD1  ILE   8          2HD1      ILE   8  -4.073   3.964  -1.612
   51    H    VAL   9           H        VAL   9  -3.441   0.062   0.096
   52    HA   VAL   9           HA       VAL   9  -1.333  -1.607   0.878
   53    HB   VAL   9           HB       VAL   9  -2.898  -0.275   2.325
   54   1HG1  VAL   9          3HG1      VAL   9  -5.084  -1.203   1.664
   55   2HG1  VAL   9          1HG1      VAL   9  -4.668  -2.761   2.418
   56   3HG1  VAL   9          2HG1      VAL   9  -4.827  -1.278   3.433
   57   1HG2  VAL   9          3HG2      VAL   9  -1.040  -1.632   3.214
   58   2HG2  VAL   9          1HG2      VAL   9  -2.400  -1.667   4.346
   59   3HG2  VAL   9          2HG2      VAL   9  -2.067  -3.072   3.272
   60    H    LEU  10           H        LEU  10  -1.413  -2.406  -1.096
   61    HA   LEU  10           HA       LEU  10  -2.692  -4.222  -2.339
   62   1HB   LEU  10          1HB       LEU  10   0.325  -3.930  -2.102
   63   2HB   LEU  10          2HB       LEU  10  -0.389  -4.790  -3.427
   64    HG   LEU  10           HG       LEU  10  -1.538  -2.025  -2.969
   65   1HD1  LEU  10          3HD2      LEU  10   0.821  -1.553  -2.584
   66   2HD1  LEU  10          1HD2      LEU  10   1.275  -2.325  -4.127
   67   3HD1  LEU  10          2HD2      LEU  10   0.306  -0.799  -4.098
   68   1HD2  LEU  10          2HD1      LEU  10  -2.499  -3.283  -4.682
   69   2HD2  LEU  10          3HD1      LEU  10  -1.782  -1.765  -5.275
   70   3HD2  LEU  10          1HD1      LEU  10  -0.932  -3.343  -5.572
   71   1HN   NH2  11          1HN       NH2  11  -0.882  -7.304  -0.149
   72   2HN   NH2  11          2HN       NH2  11  -0.213  -5.604   0.015
   
  Start of MODEL   20
    1   1H    ACE   1          1HA       ACE   1   1.263  -7.445  -0.815
    2   2H    ACE   1          2HA       ACE   1   3.028  -7.575  -1.070
    3   3H    ACE   1          3HA       ACE   1   2.049  -6.513  -2.122
    4    H    THR   2           H        THR   2   4.030  -5.304  -1.204
    5    HA   THR   2           HA       THR   2   3.481  -3.879   1.443
    6    HB   THR   2           HB       THR   2   5.671  -2.663   1.011
    7    HG1  THR   2           HG1      THR   2   6.992  -3.559  -0.593
    8   1HG2  THR   2          2HG2      THR   2   5.764  -4.664   2.487
    9   2HG2  THR   2          1HG2      THR   2   6.022  -5.714   1.068
   10   3HG2  THR   2          3HG2      THR   2   7.249  -4.497   1.512
   11    H    LYS   3           H        LYS   3   2.333  -2.045   1.385
   12    HA   LYS   3           HA       LYS   3   1.153  -1.014  -0.697
   13   1HB   LYS   3          2HB       LYS   3   0.014  -0.225   1.002
   14   2HB   LYS   3          1HB       LYS   3   0.917  -1.195   2.028
   15   1HG   LYS   3          2HG       LYS   3   2.314   0.594   2.787
   16   2HG   LYS   3          1HG       LYS   3   1.512   1.771   1.699
   17   1HD   LYS   3          1HD       LYS   3  -0.668   1.187   3.078
   18   2HD   LYS   3          2HD       LYS   3   0.405   0.211   4.097
   19   1HE   LYS   3          2HE       LYS   3   1.713   2.260   4.750
   20   2HE   LYS   3          1HE       LYS   3   0.685   3.256   3.702
   21   1HZ   LYS   3          2HZ       LYS   3  -1.236   2.583   5.053
   22   2HZ   LYS   3          1HZ       LYS   3  -0.279   1.652   6.025
   23   3HZ   LYS   3          3HZ       LYS   3  -0.082   3.292   5.999
   24    H    SER   4           H        SER   4   0.789   1.219  -1.270
   25    HA   SER   4           HA       SER   4   3.369   2.776  -1.953
   26   1HB   SER   4          1HB       SER   4   1.891   2.191  -3.913
   27   2HB   SER   4          2HB       SER   4   0.611   3.193  -3.178
   28    HG   SER   4           HG       SER   4   1.903   4.337  -4.641
   29    H    ALA   5           H        ALA   5   3.453   4.998  -1.358
   30    HA   ALA   5           HA       ALA   5   2.628   5.704   1.245
   31   1HB   ALA   5          1HB       ALA   5   4.498   6.781   0.012
   32   2HB   ALA   5          3HB       ALA   5   3.346   7.587  -1.087
   33   3HB   ALA   5          2HB       ALA   5   3.392   8.026   0.642
   34    H    GLY   6           H        GLY   6   0.902   6.672   2.153
   35   1HA   GLY   6          2HA       GLY   6  -1.287   7.889   2.137
   36   2HA   GLY   6          1HA       GLY   6  -1.559   7.363   0.462
   37    H    GLY   7           H        GLY   7  -2.362   5.182   0.178
   38   1HA   GLY   7          2HA       GLY   7  -2.488   3.324   2.509
   39   2HA   GLY   7          1HA       GLY   7  -3.833   3.767   1.408
   40    H    ILE   8           H        ILE   8  -3.323   3.082  -1.087
   41    HA   ILE   8           HA       ILE   8  -3.857   1.086  -2.042
   42    HB   ILE   8           HB       ILE   8  -1.433   2.871  -2.354
   43   1HG1  ILE   8          1HG1      ILE   8  -2.582   3.883  -4.168
   44   2HG1  ILE   8          2HG1      ILE   8  -3.864   2.622  -4.214
   45   1HG2  ILE   8          1HG2      ILE   8  -0.606   0.840  -3.468
   46   2HG2  ILE   8          2HG2      ILE   8  -2.081   0.715  -4.469
   47   3HG2  ILE   8          3HG2      ILE   8  -0.922   2.065  -4.691
   48   1HD1  ILE   8          3HD1      ILE   8  -3.507   4.765  -2.138
   49   2HD1  ILE   8          2HD1      ILE   8  -4.703   4.751  -3.518
   50   3HD1  ILE   8          1HD1      ILE   8  -4.777   3.518  -2.207
   51    H    VAL   9           H        VAL   9  -3.855  -0.221  -0.379
   52    HA   VAL   9           HA       VAL   9  -1.642  -1.663   0.705
   53    HB   VAL   9           HB       VAL   9  -3.363  -0.258   1.917
   54   1HG1  VAL   9          3HG2      VAL   9  -5.456  -1.298   1.160
   55   2HG1  VAL   9          2HG2      VAL   9  -5.065  -2.783   2.060
   56   3HG1  VAL   9          1HG2      VAL   9  -5.342  -1.236   2.945
   57   1HG2  VAL   9          2HG1      VAL   9  -1.543  -1.484   3.054
   58   2HG2  VAL   9          1HG1      VAL   9  -2.990  -1.488   4.073
   59   3HG2  VAL   9          3HG1      VAL   9  -2.530  -2.951   3.133
   60    H    LEU  10           H        LEU  10  -1.612  -2.566  -1.235
   61    HA   LEU  10           HA       LEU  10  -2.797  -4.516  -2.394
   62   1HB   LEU  10          1HB       LEU  10   0.193  -3.972  -2.168
   63   2HB   LEU  10          2HB       LEU  10  -0.438  -4.942  -3.454
   64    HG   LEU  10           HG       LEU  10  -1.794  -2.247  -3.109
   65   1HD1  LEU  10          2HD2      LEU  10   1.031  -2.458  -4.264
   66   2HD1  LEU  10          3HD2      LEU  10  -0.024  -1.015  -4.400
   67   3HD1  LEU  10          1HD2      LEU  10   0.517  -1.583  -2.801
   68   1HD2  LEU  10          2HD1      LEU  10  -2.696  -3.663  -4.746
   69   2HD2  LEU  10          3HD1      LEU  10  -2.084  -2.139  -5.436
   70   3HD2  LEU  10          1HD1      LEU  10  -1.139  -3.675  -5.653
   71   1HN   NH2  11          1HN       NH2  11  -2.854  -6.797  -2.524
   72   2HN   NH2  11          2HN       NH2  11  -2.002  -7.922  -1.351
   
  No H/Q in entry =          72