*HEADER    DE NOVO PROTEIN                         31-AUG-14   2MTT              
*TITLE     NON-REDUCIBLE ANALOGUES OF ALPHA-CONOTOXIN RGIA: [3,12]-CIS DICARBA   
*TITLE    2 RGIA                                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DICARBA ANALOGUES OF ALPHA-CONOTOXIN RGIA;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    DICARBA, RGIA, ALPHA-CONOTOXIN, NON-REDUCIBLE, DE NOVO PROTEIN        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.CHHABRA, S.D.ROBINSON, R.S.NORTON                                   
*REVDAT   1   26-NOV-14 2MTT    0                                                


assign (resid 1 and name HA2 ) (resid 2 and name HN ) 3.55 1.75 0
assign (resid 1 and name HA1 ) (resid 2 and name HN ) 3.55 1.75 0
assign (resid 2 and name HA ) (resid 4 and name HN ) 4.65 2.85 0
assign (resid 2 and name HA ) (resid 5 and name HB2 ) 5.28 3.48 0
assign (resid 2 and name HA ) (resid 5 and name HB1 ) 5.28 3.48 0
assign (resid 2 and name HA ) (resid 5 and name HB* ) 4.62 2.82 0
assign (resid 2 and name HA ) (resid 8 and name HB* ) 5.19 3.39 0
assign (resid 2 and name HB2 ) (resid 3 and name HN ) 4.45 2.65 0
assign (resid 2 and name HB1 ) (resid 3 and name HN ) 4.45 2.65 0
assign (resid 2 and name HN ) (resid 2 and name HB2 ) 3.64 1.84 0
assign (resid 2 and name HN ) (resid 2 and name HB1 ) 3.64 1.84 0
assign (resid 2 and name HA ) (resid 2 and name HB2 ) 3.68 1.88 0
assign (resid 2 and name HA ) (resid 2 and name HB1 ) 4.08 2.28 0
assign (resid 2 and name HA ) (resid 3 and name HN ) 3.59 1.79 0
assign (resid 2 and name HN ) (resid 3 and name HG ) 4.95 3.15 0
assign (resid 2 and name HN ) (resid 3 and name HN ) 3.66 1.86 0
assign (resid 2 and name HB* ) (resid 3 and name HN ) 3.75 1.95 0
assign (resid 2 and name HB* ) (resid 5 and name HB* ) 5.2 3.4 0
assign (resid 3 and name HA ) (resid 12 and name HN ) 4.73 2.93 0  
assign (resid 3 and name HA ) (resid 3 and name HB2 ) 3.82 2.02 0
assign (resid 3 and name HA ) (resid 3 and name HB1 ) 3.99 2.19 0
assign (resid 3 and name HA ) (resid 3 and name HG ) 4.03 2.23 0
assign (resid 3 and name HB1 ) (resid 3 and name HB2 ) 2.58 0.78 0
assign (resid 3 and name HA ) (resid 5 and name HN ) 5.01 3.21 0
assign (resid 3 and name HB2 ) (resid 4 and name HN ) 4.24 2.44 0
assign (resid 3 and name HB1 ) (resid 4 and name HN ) 4.24 2.44 0
assign (resid 3 and name HG ) (resid 10 and name HD* ) 5.5 3.7 0
assign (resid 3 and name HG ) (resid 4 and name HN ) 4.74 2.94 0
assign (resid 3 and name HN ) (resid 3 and name HB2 ) 3.7 1.9 0
assign (resid 3 and name HN ) (resid 3 and name HB1 ) 3.7 1.9 0
assign (resid 3 and name HN ) (resid 3 and name HG ) 3.21 1.41 0
assign (resid 3 and name HN ) (resid 3 and name HB* ) 2.96 1.16 0
assign (resid 3 and name HN ) (resid 4 and name HN ) 3.39 1.59 0
assign (resid 3 and name HB* ) (resid 12 and name HN ) 4.3 2.5 0
assign (resid 3 and name HB* ) (resid 4 and name HN ) 3.61 1.81 0
assign (resid 3 and name HN ) (resid 12 and name HG ) 5 3.2 0
assign (resid 3 and name HN ) (resid 3 and name HA ) 3.5 1.7 0
assign (resid 3 and name HG ) (resid 10 and name HE* ) 3.97 2.17 0
assign (resid 4 and name HN ) (resid 4 and name HB2 ) 3.78 1.98 0
assign (resid 4 and name HN ) (resid 4 and name HB1 ) 3.78 1.98 0
assign (resid 4 and name HN ) (resid 4 and name HB* ) 3.17 1.37 0
assign (resid 4 and name HN ) (resid 5 and name HB* ) 5.34 3.54 0
assign (resid 4 and name HB1 ) (resid 5 and name HN ) 4.5 2.7 0
assign (resid 5 and name HA ) (resid 5 and name HB2 ) 3.88 2.08 0
assign (resid 5 and name HA ) (resid 5 and name HB1 ) 4.55 2.75 0
assign (resid 5 and name HB2 ) (resid 5 and name HB1 ) 3 1.2 0
assign (resid 5 and name HA ) (resid 6 and name HD* ) 2.77 0.97 0
assign (resid 5 and name HA ) (resid 7 and name HN ) 4.86 3.06 0
assign (resid 5 and name HB2 ) (resid 8 and name HN ) 4.63 2.83 0
assign (resid 5 and name HB1 ) (resid 8 and name HN ) 4.63 2.83 0
assign (resid 5 and name HN ) (resid 5 and name HB2 ) 3.57 1.77 0
assign (resid 5 and name HN ) (resid 5 and name HB1 ) 3.57 1.77 0
assign (resid 5 and name HN ) (resid 8 and name HB* ) 4.68 2.88 0
assign (resid 5 and name HB* ) (resid 6 and name HD* ) 2.6 0.8 0  
assign (resid 5 and name HB* ) (resid 8 and name HN ) 3.82 2.02 0
assign (resid 5 and name HB* ) (resid 8 and name HB* ) 4.78 2.98 0
assign (resid 6 and name HA ) (resid 7 and name HN ) 3.74 1.94 0
assign (resid 6 and name HD* ) (resid 7 and name HN ) 3.75 1.95 0
assign (resid 6 and name HG* ) (resid 7 and name HN ) 4.15 2.35 0
assign (resid 6 and name HB2 ) (resid 6 and name HA ) 3.78 1.98 0
assign (resid 6 and name HB2 ) (resid 6 and name HB1 ) 2.96 1.16 0
assign (resid 6 and name HB2 ) (resid 6 and name HD1 ) 4.21 2.41 0
assign (resid 6 and name HB2 ) (resid 6 and name HG1 ) 2.8 1 0
assign (resid 6 and name HB1 ) (resid 6 and name HA ) 3.54 1.74 0
assign (resid 6 and name HB1 ) (resid 6 and name HD1 ) 4.62 2.82 0
assign (resid 6 and name HG1 ) (resid 6 and name HA ) 4.27 2.47 0
assign (resid 6 and name HG1 ) (resid 6 and name HD1 ) 3.43 1.63 0
assign (resid 7 and name HA ) (resid 7 and name HB2 ) 3.72 1.92 0
assign (resid 7 and name HA ) (resid 7 and name HB1 ) 3.92 2.12 0
assign (resid 7 and name HA ) (resid 8 and name HN ) 3.87 2.07 0
assign (resid 7 and name HA ) (resid 7 and name HD2 ) 5.49 3.69 0
assign (resid 7 and name HA ) (resid 7 and name HD1 ) 5.49 3.69 0
assign (resid 7 and name HA ) (resid 7 and name HE ) 5.5 3.7 0
assign (resid 7 and name HA ) (resid 7 and name HD* ) 4.74 2.94 0
assign (resid 7 and name HA ) (resid 7 and name HG* ) 3.57 1.77 0
assign (resid 7 and name HB2 ) (resid 8 and name HN ) 4.64 2.84 0
assign (resid 7 and name HB1 ) (resid 8 and name HN ) 4.64 2.84 0
assign (resid 7 and name HN ) (resid 7 and name HB2 ) 3.83 2.03 0
assign (resid 7 and name HN ) (resid 7 and name HB1 ) 3.83 2.03 0
assign (resid 7 and name HN ) (resid 7 and name HE ) 5.1 3.3 0
assign (resid 7 and name HN ) (resid 7 and name HB* ) 3 1.2 0
assign (resid 7 and name HN ) (resid 7 and name HD* ) 4.21 2.41 0
assign (resid 7 and name HN ) (resid 7 and name HG* ) 3.22 1.42 0
assign (resid 7 and name HN ) (resid 8 and name HN ) 3.05 1.25 0
assign (resid 7 and name HB* ) (resid 7 and name HE ) 4.07 2.27 0
assign (resid 7 and name HB* ) (resid 8 and name HN ) 4.03 2.23 0
assign (resid 7 and name HG* ) (resid 8 and name HN ) 4.81 3.01 0
assign (resid 8 and name HA ) (resid 10 and name HN ) 4.69 2.89 0
assign (resid 8 and name HA ) (resid 10 and name HD* ) 5.5 3.7 0
assign (resid 8 and name HN ) (resid 8 and name HA ) 3.45 1.65 0
assign (resid 8 and name HA ) (resid 8 and name HB2 ) 4.13 2.33 0
assign (resid 8 and name HA ) (resid 8 and name HB1 ) 4.02 2.22 0
assign (resid 8 and name HB2 ) (resid 8 and name HB1 ) 2.71 0.91 0
assign (resid 8 and name HA ) (resid 9 and name HN ) 2.82 1.02 0
assign (resid 8 and name HB2 ) (resid 9 and name HN ) 4.43 2.63 0
assign (resid 8 and name HB1 ) (resid 9 and name HN ) 4.43 2.63 0
assign (resid 8 and name HN ) (resid 8 and name HB2 ) 3.24 1.44 0
assign (resid 8 and name HN ) (resid 8 and name HB1 ) 3.24 1.44 0
assign (resid 8 and name HN ) (resid 8 and name HA ) 3.45 1.65 0
assign (resid 9 and name HA ) (resid 10 and name HN ) 4.12 2.32 0
assign (resid 9 and name HA ) (resid 9 and name HE ) 5.5 3.7 0
assign (resid 9 and name HA ) (resid 9 and name HD* ) 5.34 3.54 0
assign (resid 9 and name HA ) (resid 9 and name HB1 ) 3.64 1.84 0
assign (resid 9 and name HN ) (resid 10 and name HN ) 3.41 1.61 0
assign (resid 9 and name HN ) (resid 9 and name HB* ) 2.96 1.16 0
assign (resid 9 and name HN ) (resid 9 and name HD* ) 4.72 2.92 0
assign (resid 9 and name HN ) (resid 9 and name HG* ) 3.46 1.66 0
assign (resid 9 and name HB* ) (resid 10 and name HN ) 4.34 2.54 0
assign (resid 9 and name HB* ) (resid 10 and name HD* ) 4.66 2.86 0  
assign (resid 9 and name HB* ) (resid 10 and name HE* ) 5.50 3.70 0    
assign (resid 9 and name HB* ) (resid 9 and name HE ) 5.29 3.49 0   
assign (resid 9 and name HG* ) (resid 10 and name HN ) 5.28 3.48 0
assign (resid 9 and name HG* ) (resid 10 and name HD* ) 4.79 2.99 0  
assign (resid 9 and name HG* ) (resid 10 and name HE* ) 5.50 3.70 0  
assign (resid 9 and name HA ) (resid 10 and name HN ) 4.12 2.32 0
assign (resid 10 and name HA ) (resid 10 and name HB2 ) 3.82 2.02 0
assign (resid 10 and name HA ) (resid 10 and name HB1 ) 3.65 1.85 0
assign (resid 10 and name HA ) (resid 10 and name HD* ) 3.97 2.17 0
assign (resid 10 and name HA ) (resid 11 and name HN ) 3.35 1.55 0
assign (resid 10 and name HB2 ) (resid 11 and name HN ) 4.49 2.69 0
assign (resid 10 and name HB1 ) (resid 11 and name HN ) 4.49 2.69 0
assign (resid 10 and name HN ) (resid 10 and name HA ) 4.14 2.34 0
assign (resid 10 and name HN ) (resid 10 and name HB2 ) 4.07 2.27 0
assign (resid 10 and name HN ) (resid 10 and name HB1 ) 4.07 2.27 0
assign (resid 10 and name HN ) (resid 10 and name HB* ) 3.4 1.6 0
assign (resid 10 and name HN ) (resid 10 and name HD* ) 4.27 2.47 0
assign (resid 10 and name HN ) (resid 11 and name HN ) 4.48 2.68 0
assign (resid 10 and name HB* ) (resid 11 and name HN ) 3.63 1.83 0
assign (resid 10 and name HD* ) (resid 10 and name HB1 ) 4.2 2.4 0
assign (resid 10 and name HD* ) (resid 10 and name HB2 ) 4.2 2.4 0
assign (resid 10 and name HD* ) (resid 11 and name HA ) 5.5 3.7 0
assign (resid 10 and name HD* ) (resid 11 and name HN ) 4.79 2.99 0
assign (resid 10 and name HD* ) (resid 12 and name HA ) 4.87 3.07 0
assign (resid 10 and name HD* ) (resid 12 and name HG ) 5.10 3.30 0  
assign (resid 10 and name HE* ) (resid 12 and name HG ) 4.1 2.3 0
assign (resid 10 and name HE* ) (resid 10 and name HB2 ) 4.5 2.7 0
assign (resid 10 and name HE* ) (resid 10 and name HB1 ) 4.5 2.7 0
assign (resid 10 and name HD* ) (resid 10 and name HE* ) 2.4 0.6 0
assign (resid 11 and name HA ) (resid 11 and name HB2 ) 3.69 1.89 0
assign (resid 11 and name HA ) (resid 11 and name HB1 ) 3.73 1.93 0
assign (resid 11 and name HA ) (resid 11 and name HE ) 5.5 3.7 0
assign (resid 11 and name HA ) (resid 11 and name HD* ) 5.34 3.54 0
assign (resid 11 and name HA ) (resid 12 and name HN ) 2.89 1.09 0
assign (resid 11 and name HA ) (resid 11 and name HG1 ) 4.83 3.03 0
assign (resid 11 and name HB2 ) (resid 11 and name HE ) 5.5 3.7 0
assign (resid 11 and name HB2 ) (resid 12 and name HN ) 4.4 2.6 0
assign (resid 11 and name HB1 ) (resid 11 and name HE ) 5.5 3.7 0
assign (resid 11 and name HB1 ) (resid 12 and name HN ) 4.4 2.6 0
assign (resid 11 and name HN ) (resid 11 and name HA ) 3.85 2.05 0
assign (resid 11 and name HN ) (resid 11 and name HB2 ) 3.88 2.08 0
assign (resid 11 and name HN ) (resid 11 and name HB1 ) 3.88 2.08 0
assign (resid 11 and name HN ) (resid 11 and name HB* ) 3.22 1.42 0
assign (resid 11 and name HN ) (resid 11 and name HD* ) 5.34 3.54 0
assign (resid 11 and name HN ) (resid 11 and name HG* ) 3.88 2.08 0
assign (resid 11 and name HB* ) (resid 12 and name HN ) 3.65 1.85 0
assign (resid 11 and name HG* ) (resid 12 and name HN ) 4.69 2.89 0
assign (resid 12 and name HA ) (resid 12 and name HB2 ) 3.53 1.73 0
assign (resid 12 and name HA ) (resid 12 and name HB1 ) 3.62 1.82 0
assign (resid 12 and name HA ) (resid 12 and name HG ) 3.56 1.76 0
assign (resid 12 and name HA ) (resid 13 and name HN ) 3.22 1.42 0
assign (resid 12 and name HB2 ) (resid 12 and name HG ) 3.37 1.57 0
assign (resid 12 and name HB2 ) (resid 13 and name HN ) 4.04 2.24 0
assign (resid 12 and name HB1 ) (resid 13 and name HN ) 4.04 2.24 0
assign (resid 12 and name HG ) (resid 13 and name HN ) 5.12 3.32 0
assign (resid 12 and name HN ) (resid 12 and name HB2 ) 3.77 1.97 0
assign (resid 12 and name HN ) (resid 12 and name HB1 ) 3.77 1.97 0
assign (resid 12 and name HN ) (resid 12 and name HG ) 4.36 2.56 0
assign (resid 12 and name HN ) (resid 12 and name HB* ) 3.21 1.41 0
assign (resid 12 and name HN ) (resid 13 and name HN ) 4.53 2.73 0     
assign (resid 12 and name HB* ) (resid 13 and name HN ) 3.51 1.71 0
assign (resid 12 and name HB1 ) (resid 12 and name HG ) 3.49 1.69 0
assign (resid 13 and name HA ) (resid 13 and name HB1 ) 3.97 2.17 0
assign (resid 13 and name HA ) (resid 13 and name HG1 ) 4.25 2.45 0
assign (resid 13 and name HA ) (resid 13 and name HE ) 5.5 3.7 0
assign (resid 13 and name HA ) (resid 13 and name HD* ) 5.34 3.54 0
assign (resid 13 and name HB2 ) (resid 13 and name HE ) 4.8 3 0
assign (resid 13 and name HB1 ) (resid 13 and name HE ) 4.8 3 0
assign (resid 13 and name HN ) (resid 13 and name HB* ) 3.62 1.82 0
assign (resid 13 and name HN ) (resid 13 and name HD* ) 5.34 3.54 0
assign (resid 13 and name HN ) (resid 13 and name HG* ) 4.99 3.19 0
assign (resid 13 and name HB* ) (resid 13 and name HE ) 4.02 2.22 0
assign (resid 13 and name HB1 ) (resid 13 and name HB2 ) 2.4 0.6 0
assign (resid 13 and name HB1 ) (resid 13 and name HG1 ) 2.4 0.6 0
assign (resid 13 and name HG1 ) (resid 13 and name HD1 ) 3 1.2 0
assign (resid 13 and name HG* ) (resid 13 and name HE ) 3.44 1.64 0

assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    125.0 -30.3   20.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    125.0 -86.7   33.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    125.0 -26.4   20.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    125.0 -84.7   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    125.0  -5.9   22.5 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    125.0 -84.2   39.1 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    125.0 132.7   31.1 2
assign (resid    3 and name C    ) (resid    4 and name N   )
       (resid    4 and name CA   ) (resid    4 and name C    )    125.0  -88.8   30.9 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    125.0  -5.6   38.4 2

! CHI1

assign (resid 8  and name N ) (resid 8  and name CA)
       (resid 8  and name CB) (resid 8  and name CG)  125.0   180 60 2

! PHI

assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    125.0 -60   30.0 2

assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    125.0 -120  40.0   2

assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    125.0 -120  40.0  2

assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    125.0 -120  40.0  2


assign (resid 8 and name N  )
       (resid 8 and name HN )
       (resid 5 and name O  )
   


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1   1.045   5.137   3.928
    2    H2   GLY   1           HT2      GLY   1   1.613   6.177   5.145
    3    H3   GLY   1           HT3      GLY   1   0.369   5.067   5.482
    4    HA2  GLY   1           HA2      GLY   1   3.242   4.541   5.036
    5    HA3  GLY   1           HA1      GLY   1   2.240   4.077   6.412
    6    H    CYS   2           H        CYS   2  -0.011   3.101   5.069
    7    HA   CYS   2           HA       CYS   2   0.789   0.449   4.488
    8    HB2  CYS   2           HB2      CYS   2  -1.497   1.212   5.297
    9    HB3  CYS   2           HB1      CYS   2  -1.804   1.760   3.649
   10    H    ABA   3           H        ABA   3  -0.210   3.161   2.459
   11    HA   ABA   3           HA       ABA   3  -0.251   2.049  -0.044
   12    HB3  ABA   3           HB1      ABA   3   0.890   4.388  -0.652
   13    HB2  ABA   3           HB2      ABA   3   0.488   4.726   1.028
   14    HG1  ABA   3           HG       ABA   3  -1.857   4.621   0.584
   15    H    SER   4           H        SER   4   2.603   3.292   1.670
   16    HA   SER   4           HA       SER   4   4.479   2.706  -0.348
   17    HB2  SER   4           HB2      SER   4   4.815   2.906   2.652
   18    HB3  SER   4           HB1      SER   4   6.152   2.805   1.508
   19    HG   SER   4           HG       SER   4   4.093   4.761   1.428
   20    H    ASP   5           H        ASP   5   3.276   0.791   2.388
   21    HA   ASP   5           HA       ASP   5   5.073  -1.366   1.980
   22    HB2  ASP   5           HB2      ASP   5   2.430  -1.270   3.437
   23    HB3  ASP   5           HB1      ASP   5   3.573  -2.614   3.504
   24    HA   PRO   6           HA       PRO   6   2.915  -3.204  -1.515
   25    HB2  PRO   6           HB2      PRO   6   4.181  -5.623  -1.579
   26    HB3  PRO   6           HB1      PRO   6   4.928  -4.118  -2.153
   27    HG2  PRO   6           HG2      PRO   6   5.319  -5.569   0.416
   28    HG3  PRO   6           HG1      PRO   6   6.498  -4.723  -0.602
   29    HD2  PRO   6           HD2      PRO   6   5.429  -3.642   1.685
   30    HD3  PRO   6           HD1      PRO   6   6.033  -2.671   0.323
   31    H    ARG   7           H        ARG   7   2.930  -4.493   1.669
   32    HA   ARG   7           HA       ARG   7   1.179  -6.717   1.197
   33    HB2  ARG   7           HB2      ARG   7   1.854  -5.242   3.757
   34    HB3  ARG   7           HB1      ARG   7   1.005  -6.784   3.659
   35    HG2  ARG   7           HG2      ARG   7   3.688  -6.474   2.338
   36    HG3  ARG   7           HG1      ARG   7   3.600  -6.771   4.073
   37    HD2  ARG   7           HD2      ARG   7   2.193  -8.790   3.604
   38    HD3  ARG   7           HD1      ARG   7   2.426  -8.515   1.882
   39    HE   ARG   7           HE       ARG   7   4.961  -8.608   3.072
   40   HH11  ARG   7          1HH2      ARG   7   2.194 -10.613   2.523
   41   HH12  ARG   7          2HH2      ARG   7   3.101 -12.086   2.458
   42   HH21  ARG   7          1HH1      ARG   7   6.158 -10.539   2.990
   43   HH22  ARG   7          2HH1      ARG   7   5.346 -12.045   2.722
   44    H    CYS   8           H        CYS   8   0.703  -3.367   1.297
   45    HA   CYS   8           HA       CYS   8  -1.705  -3.002   2.600
   46    HB2  CYS   8           HB2      CYS   8  -0.143  -1.401   1.118
   47    HB3  CYS   8           HB1      CYS   8  -1.418  -1.703  -0.062
   48    H    ARG   9           H        ARG   9  -3.854  -3.181   2.076
   49    HA   ARG   9           HA       ARG   9  -4.644  -5.425   0.573
   50    HB2  ARG   9           HB2      ARG   9  -6.203  -3.062   1.634
   51    HB3  ARG   9           HB1      ARG   9  -6.961  -4.450   0.850
   52    HG2  ARG   9           HG2      ARG   9  -6.053  -5.959   2.520
   53    HG3  ARG   9           HG1      ARG   9  -5.130  -4.649   3.257
   54    HD2  ARG   9           HD2      ARG   9  -7.211  -3.489   3.844
   55    HD3  ARG   9           HD1      ARG   9  -8.154  -4.755   3.063
   56    HE   ARG   9           HE       ARG   9  -7.765  -6.126   4.912
   57   HH11  ARG   9          1HH2      ARG   9  -5.750  -3.314   4.952
   58   HH12  ARG   9          2HH2      ARG   9  -5.185  -3.571   6.568
   59   HH21  ARG   9          1HH1      ARG   9  -7.028  -6.471   7.033
   60   HH22  ARG   9          2HH1      ARG   9  -5.909  -5.358   7.747
   61    H    TYR  10           H        TYR  10  -4.515  -1.990  -0.224
   62    HA   TYR  10           HA       TYR  10  -5.087  -2.697  -3.041
   63    HB2  TYR  10           HB2      TYR  10  -6.279  -0.584  -3.283
   64    HB3  TYR  10           HB1      TYR  10  -7.019  -1.545  -2.002
   65    HD1  TYR  10           HD2      TYR  10  -6.578  -0.996   0.391
   66    HD2  TYR  10           HD1      TYR  10  -5.165   1.494  -2.810
   67    HE1  TYR  10           HE2      TYR  10  -6.192   0.852   2.000
   68    HE2  TYR  10           HE1      TYR  10  -4.773   3.341  -1.202
   69    HH   TYR  10           HH       TYR  10  -6.094   3.551   1.710
   70    H    ARG  11           H        ARG  11  -4.027  -1.435  -4.616
   71    HA   ARG  11           HA       ARG  11  -1.393  -0.591  -3.859
   72    HB2  ARG  11           HB2      ARG  11  -2.865  -0.417  -6.498
   73    HB3  ARG  11           HB1      ARG  11  -1.156  -0.038  -6.274
   74    HG2  ARG  11           HG2      ARG  11  -0.678  -2.304  -5.573
   75    HG3  ARG  11           HG1      ARG  11  -2.395  -2.709  -5.557
   76    HD2  ARG  11           HD2      ARG  11  -0.872  -1.836  -8.026
   77    HD3  ARG  11           HD1      ARG  11  -1.210  -3.514  -7.613
   78    HE   ARG  11           HE       ARG  11  -3.654  -2.164  -7.581
   79   HH11  ARG  11          1HH2      ARG  11  -1.105  -2.927  -9.793
   80   HH12  ARG  11          2HH2      ARG  11  -2.138  -2.980 -11.182
   81   HH21  ARG  11          1HH1      ARG  11  -5.016  -2.232  -9.398
   82   HH22  ARG  11          2HH1      ARG  11  -4.353  -2.586 -10.958
   83    H    ABA  12           H        ABA  12  -0.532   1.458  -3.794
   84    HA   ABA  12           HA       ABA  12  -2.493   3.649  -3.666
   85    HB3  ABA  12           HB1      ABA  12  -0.030   4.595  -2.775
   86    HB2  ABA  12           HB2      ABA  12  -0.089   2.935  -2.192
   87    HG1  ABA  12           HG       ABA  12  -2.641   4.351  -1.677
   88    H    ARG  13           H        ARG  13  -0.594   2.322  -5.921
   89    HA   ARG  13           HA       ARG  13  -0.127   4.912  -7.245
   90    HB2  ARG  13           HB2      ARG  13   1.914   3.160  -8.112
   91    HB3  ARG  13           HB1      ARG  13   2.092   4.642  -7.172
   92    HG2  ARG  13           HG2      ARG  13   3.128   2.799  -5.966
   93    HG3  ARG  13           HG1      ARG  13   1.695   3.330  -5.092
   94    HD2  ARG  13           HD2      ARG  13   0.892   1.228  -5.206
   95    HD3  ARG  13           HD1      ARG  13   0.829   1.378  -6.960
   96    HE   ARG  13           HE       ARG  13   2.816   0.164  -7.102
   97   HH11  ARG  13          1HH2      ARG  13   2.075   1.062  -3.844
   98   HH12  ARG  13          2HH2      ARG  13   3.272   0.027  -3.140
   99   HH21  ARG  13          1HH1      ARG  13   4.388  -1.199  -6.186
  100   HH22  ARG  13          2HH1      ARG  13   4.582  -1.253  -4.466
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   0.711   6.395   2.051
    2    H2   GLY   1           HT2      GLY   1  -0.557   6.905   3.061
    3    H3   GLY   1           HT3      GLY   1  -0.623   5.381   2.313
    4    HA2  GLY   1           HA2      GLY   1   1.680   5.913   4.021
    5    HA3  GLY   1           HA1      GLY   1   0.124   5.677   4.816
    6    H    CYS   2           H        CYS   2  -1.146   3.744   4.014
    7    HA   CYS   2           HA       CYS   2   0.361   1.387   4.367
    8    HB2  CYS   2           HB2      CYS   2  -2.047   1.552   4.878
    9    HB3  CYS   2           HB1      CYS   2  -2.397   1.705   3.156
   10    H    ABA   3           H        ABA   3  -1.049   2.855   1.468
   11    HA   ABA   3           HA       ABA   3  -0.553   0.974  -0.440
   12    HB3  ABA   3           HB1      ABA   3  -0.060   2.937  -1.986
   13    HB2  ABA   3           HB2      ABA   3  -0.228   3.966  -0.562
   14    HG1  ABA   3           HG       ABA   3  -2.554   2.312  -0.556
   15    H    SER   4           H        SER   4   1.799   2.851   1.309
   16    HA   SER   4           HA       SER   4   4.013   2.576  -0.415
   17    HB2  SER   4           HB2      SER   4   3.922   2.775   2.601
   18    HB3  SER   4           HB1      SER   4   5.374   2.958   1.627
   19    HG   SER   4           HG       SER   4   3.897   4.580   0.467
   20    H    ASP   5           H        ASP   5   2.764   0.509   2.184
   21    HA   ASP   5           HA       ASP   5   4.886  -1.379   2.004
   22    HB2  ASP   5           HB2      ASP   5   2.138  -1.585   3.233
   23    HB3  ASP   5           HB1      ASP   5   3.399  -2.805   3.408
   24    HA   PRO   6           HA       PRO   6   3.452  -3.735  -1.499
   25    HB2  PRO   6           HB2      PRO   6   4.735  -6.101  -1.018
   26    HB3  PRO   6           HB1      PRO   6   5.577  -4.647  -1.592
   27    HG2  PRO   6           HG2      PRO   6   5.413  -5.786   1.152
   28    HG3  PRO   6           HG1      PRO   6   6.780  -5.021   0.328
   29    HD2  PRO   6           HD2      PRO   6   5.229  -3.733   2.183
   30    HD3  PRO   6           HD1      PRO   6   6.102  -2.900   0.874
   31    H    ARG   7           H        ARG   7   3.131  -5.074   1.745
   32    HA   ARG   7           HA       ARG   7   1.240  -7.110   0.948
   33    HB2  ARG   7           HB2      ARG   7   2.141  -6.112   3.660
   34    HB3  ARG   7           HB1      ARG   7   1.027  -7.458   3.418
   35    HG2  ARG   7           HG2      ARG   7   2.791  -8.546   1.974
   36    HG3  ARG   7           HG1      ARG   7   3.901  -7.273   2.482
   37    HD2  ARG   7           HD2      ARG   7   2.433  -9.134   4.366
   38    HD3  ARG   7           HD1      ARG   7   4.109  -9.330   3.867
   39    HE   ARG   7           HE       ARG   7   3.071  -7.330   5.719
   40   HH11  ARG   7          1HH2      ARG   7   5.649  -8.442   3.695
   41   HH12  ARG   7          2HH2      ARG   7   6.873  -7.541   4.525
   42   HH21  ARG   7          1HH1      ARG   7   4.671  -6.146   6.812
   43   HH22  ARG   7          2HH1      ARG   7   6.320  -6.241   6.289
   44    H    CYS   8           H        CYS   8   1.006  -3.832   1.262
   45    HA   CYS   8           HA       CYS   8  -1.290  -3.338   2.764
   46    HB2  CYS   8           HB2      CYS   8   0.233  -1.627   1.702
   47    HB3  CYS   8           HB1      CYS   8  -0.597  -1.944   0.178
   48    H    ARG   9           H        ARG   9  -3.446  -3.441   2.375
   49    HA   ARG   9           HA       ARG   9  -4.467  -5.388   0.633
   50    HB2  ARG   9           HB2      ARG   9  -5.715  -3.157   2.212
   51    HB3  ARG   9           HB1      ARG   9  -6.696  -4.129   1.115
   52    HG2  ARG   9           HG2      ARG   9  -6.738  -5.076   3.392
   53    HG3  ARG   9           HG1      ARG   9  -5.946  -6.183   2.270
   54    HD2  ARG   9           HD2      ARG   9  -3.778  -5.589   3.059
   55    HD3  ARG   9           HD1      ARG   9  -4.396  -4.181   3.918
   56    HE   ARG   9           HE       ARG   9  -5.678  -6.389   5.018
   57   HH11  ARG   9          1HH2      ARG   9  -2.453  -5.213   4.584
   58   HH12  ARG   9          2HH2      ARG   9  -1.838  -5.962   6.020
   59   HH21  ARG   9          1HH1      ARG   9  -4.880  -7.374   6.903
   60   HH22  ARG   9          2HH1      ARG   9  -3.213  -7.185   7.333
   61    H    TYR  10           H        TYR  10  -4.165  -1.877   0.276
   62    HA   TYR  10           HA       TYR  10  -4.875  -2.179  -2.581
   63    HB2  TYR  10           HB2      TYR  10  -5.914   0.054  -2.494
   64    HB3  TYR  10           HB1      TYR  10  -6.729  -1.078  -1.415
   65    HD1  TYR  10           HD2      TYR  10  -6.201  -1.040   1.050
   66    HD2  TYR  10           HD1      TYR  10  -4.814   1.997  -1.652
   67    HE1  TYR  10           HE2      TYR  10  -5.746   0.461   2.971
   68    HE2  TYR  10           HE1      TYR  10  -4.358   3.498   0.268
   69    HH   TYR  10           HH       TYR  10  -5.283   2.600   3.561
   70    H    ARG  11           H        ARG  11  -3.811  -0.741  -4.027
   71    HA   ARG  11           HA       ARG  11  -1.227   0.214  -2.987
   72    HB2  ARG  11           HB2      ARG  11  -0.541   0.194  -5.387
   73    HB3  ARG  11           HB1      ARG  11  -1.040  -1.391  -4.794
   74    HG2  ARG  11           HG2      ARG  11  -3.264  -1.087  -5.778
   75    HG3  ARG  11           HG1      ARG  11  -2.818   0.529  -6.327
   76    HD2  ARG  11           HD2      ARG  11  -1.359  -1.992  -7.156
   77    HD3  ARG  11           HD1      ARG  11  -2.638  -1.242  -8.107
   78    HE   ARG  11           HE       ARG  11  -0.763   0.752  -7.577
   79   HH11  ARG  11          1HH2      ARG  11  -0.934  -2.319  -9.163
   80   HH12  ARG  11          2HH2      ARG  11   0.286  -1.938 -10.332
   81   HH21  ARG  11          1HH1      ARG  11   0.838   1.258  -9.106
   82   HH22  ARG  11          2HH1      ARG  11   1.289   0.087 -10.300
   83    H    ABA  12           H        ABA  12  -0.386   2.258  -3.718
   84    HA   ABA  12           HA       ABA  12  -2.247   4.140  -4.940
   85    HB3  ABA  12           HB1      ABA  12  -2.434   5.597  -3.157
   86    HB2  ABA  12           HB2      ABA  12  -0.958   5.050  -2.408
   87    HG1  ABA  12           HG       ABA  12  -3.686   3.777  -2.155
   88    H    ARG  13           H        ARG  13  -1.238   5.909  -5.890
   89    HA   ARG  13           HA       ARG  13   1.661   5.617  -6.220
   90    HB2  ARG  13           HB2      ARG  13  -0.311   6.037  -8.058
   91    HB3  ARG  13           HB1      ARG  13   0.250   7.687  -7.778
   92    HG2  ARG  13           HG2      ARG  13   2.014   5.327  -8.501
   93    HG3  ARG  13           HG1      ARG  13   1.534   6.622  -9.596
   94    HD2  ARG  13           HD2      ARG  13   2.536   8.161  -7.682
   95    HD3  ARG  13           HD1      ARG  13   3.439   6.701  -7.288
   96    HE   ARG  13           HE       ARG  13   3.612   7.218 -10.075
   97   HH11  ARG  13          1HH2      ARG  13   4.677   8.360  -6.986
   98   HH12  ARG  13          2HH2      ARG  13   6.158   9.025  -7.588
   99   HH21  ARG  13          1HH1      ARG  13   5.552   8.090 -10.872
  100   HH22  ARG  13          2HH1      ARG  13   6.653   8.872  -9.788
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   2.217   4.445   7.190
    2    H2   GLY   1           HT2      GLY   1   2.294   5.784   6.148
    3    H3   GLY   1           HT3      GLY   1   3.021   4.314   5.702
    4    HA2  GLY   1           HA2      GLY   1   0.176   4.207   6.300
    5    HA3  GLY   1           HA1      GLY   1   0.639   5.056   4.824
    6    H    CYS   2           H        CYS   2  -0.802   2.592   4.907
    7    HA   CYS   2           HA       CYS   2   0.862   0.333   4.482
    8    HB2  CYS   2           HB2      CYS   2  -1.093  -0.781   3.792
    9    HB3  CYS   2           HB1      CYS   2  -1.692   0.439   4.910
   10    H    ABA   3           H        ABA   3  -0.280   2.926   2.427
   11    HA   ABA   3           HA       ABA   3   0.138   1.879  -0.099
   12    HB3  ABA   3           HB1      ABA   3   0.811   4.346  -0.641
   13    HB2  ABA   3           HB2      ABA   3   0.396   4.654   1.027
   14    HG1  ABA   3           HG       ABA   3  -1.944   4.170   0.601
   15    H    SER   4           H        SER   4   2.459   3.005   2.258
   16    HA   SER   4           HA       SER   4   4.708   3.265   0.586
   17    HB2  SER   4           HB2      SER   4   4.515   2.490   3.505
   18    HB3  SER   4           HB1      SER   4   6.018   2.894   2.680
   19    HG   SER   4           HG       SER   4   3.979   4.698   2.295
   20    H    ASP   5           H        ASP   5   3.322   0.468   2.256
   21    HA   ASP   5           HA       ASP   5   5.331  -1.238   0.965
   22    HB2  ASP   5           HB2      ASP   5   3.559  -1.732   3.357
   23    HB3  ASP   5           HB1      ASP   5   4.597  -2.955   2.632
   24    HA   PRO   6           HA       PRO   6   2.213  -2.885  -1.754
   25    HB2  PRO   6           HB2      PRO   6   3.284  -5.366  -2.242
   26    HB3  PRO   6           HB1      PRO   6   3.886  -3.869  -2.983
   27    HG2  PRO   6           HG2      PRO   6   4.963  -5.417  -0.683
   28    HG3  PRO   6           HG1      PRO   6   5.824  -4.562  -1.972
   29    HD2  PRO   6           HD2      PRO   6   5.530  -3.549   0.542
   30    HD3  PRO   6           HD1      PRO   6   5.689  -2.530  -0.908
   31    H    ARG   7           H        ARG   7   2.914  -4.203   1.298
   32    HA   ARG   7           HA       ARG   7   1.255  -6.489   1.315
   33    HB2  ARG   7           HB2      ARG   7   2.171  -4.648   3.533
   34    HB3  ARG   7           HB1      ARG   7   1.268  -6.138   3.811
   35    HG2  ARG   7           HG2      ARG   7   3.011  -7.470   2.806
   36    HG3  ARG   7           HG1      ARG   7   3.869  -6.027   2.262
   37    HD2  ARG   7           HD2      ARG   7   4.927  -6.916   4.286
   38    HD3  ARG   7           HD1      ARG   7   4.198  -5.349   4.622
   39    HE   ARG   7           HE       ARG   7   2.393  -7.499   5.193
   40   HH11  ARG   7          1HH2      ARG   7   5.151  -5.744   6.327
   41   HH12  ARG   7          2HH2      ARG   7   4.840  -6.063   8.000
   42   HH21  ARG   7          1HH1      ARG   7   1.978  -7.924   7.387
   43   HH22  ARG   7          2HH1      ARG   7   3.044  -7.297   8.600
   44    H    CYS   8           H        CYS   8   0.570  -3.103   1.387
   45    HA   CYS   8           HA       CYS   8  -1.800  -2.902   2.784
   46    HB2  CYS   8           HB2      CYS   8  -0.565  -1.049   1.581
   47    HB3  CYS   8           HB1      CYS   8  -1.334  -1.604   0.100
   48    H    ARG   9           H        ARG   9  -4.006  -3.020   2.184
   49    HA   ARG   9           HA       ARG   9  -4.769  -5.354   0.805
   50    HB2  ARG   9           HB2      ARG   9  -6.352  -2.908   1.618
   51    HB3  ARG   9           HB1      ARG   9  -7.085  -4.359   0.932
   52    HG2  ARG   9           HG2      ARG   9  -6.250  -5.716   2.763
   53    HG3  ARG   9           HG1      ARG   9  -5.336  -4.352   3.408
   54    HD2  ARG   9           HD2      ARG   9  -8.350  -4.392   3.104
   55    HD3  ARG   9           HD1      ARG   9  -7.501  -4.748   4.606
   56    HE   ARG   9           HE       ARG   9  -6.580  -2.266   3.706
   57   HH11  ARG   9          1HH2      ARG   9  -9.515  -3.772   4.750
   58   HH12  ARG   9          2HH2      ARG   9 -10.191  -2.317   5.404
   59   HH21  ARG   9          1HH1      ARG   9  -7.460  -0.354   4.560
   60   HH22  ARG   9          2HH1      ARG   9  -9.028  -0.382   5.295
   61    H    TYR  10           H        TYR  10  -4.541  -1.985  -0.221
   62    HA   TYR  10           HA       TYR  10  -5.019  -2.872  -3.004
   63    HB2  TYR  10           HB2      TYR  10  -6.204  -0.813  -3.462
   64    HB3  TYR  10           HB1      TYR  10  -6.971  -1.609  -2.087
   65    HD1  TYR  10           HD2      TYR  10  -6.422  -0.834   0.253
   66    HD2  TYR  10           HD1      TYR  10  -5.193   1.333  -3.244
   67    HE1  TYR  10           HE2      TYR  10  -6.022   1.181   1.643
   68    HE2  TYR  10           HE1      TYR  10  -4.791   3.349  -1.855
   69    HH   TYR  10           HH       TYR  10  -4.731   3.235   1.569
   70    H    ARG  11           H        ARG  11  -3.927  -1.641  -4.632
   71    HA   ARG  11           HA       ARG  11  -1.292  -0.828  -3.828
   72    HB2  ARG  11           HB2      ARG  11  -2.748  -1.084  -6.437
   73    HB3  ARG  11           HB1      ARG  11  -1.233  -0.185  -6.374
   74    HG2  ARG  11           HG2      ARG  11  -0.804  -2.544  -6.923
   75    HG3  ARG  11           HG1      ARG  11  -0.120  -2.146  -5.347
   76    HD2  ARG  11           HD2      ARG  11  -1.932  -3.202  -4.195
   77    HD3  ARG  11           HD1      ARG  11  -2.878  -3.343  -5.673
   78    HE   ARG  11           HE       ARG  11  -0.494  -4.742  -6.088
   79   HH11  ARG  11          1HH2      ARG  11  -3.269  -4.818  -4.022
   80   HH12  ARG  11          2HH2      ARG  11  -3.231  -6.535  -3.803
   81   HH21  ARG  11          1HH1      ARG  11  -0.436  -6.994  -5.804
   82   HH22  ARG  11          2HH1      ARG  11  -1.627  -7.768  -4.811
   83    H    ABA  12           H        ABA  12  -0.458   1.188  -3.655
   84    HA   ABA  12           HA       ABA  12  -2.364   3.421  -3.775
   85    HB3  ABA  12           HB1      ABA  12  -0.090   4.478  -2.732
   86    HB2  ABA  12           HB2      ABA  12   0.058   2.796  -2.220
   87    HG1  ABA  12           HG       ABA  12  -2.665   3.805  -1.703
   88    H    ARG  13           H        ARG  13  -0.475   1.996  -5.922
   89    HA   ARG  13           HA       ARG  13  -0.105   4.421  -7.458
   90    HB2  ARG  13           HB2      ARG  13   1.988   4.535  -6.314
   91    HB3  ARG  13           HB1      ARG  13   2.254   2.799  -6.488
   92    HG2  ARG  13           HG2      ARG  13   3.615   4.163  -8.106
   93    HG3  ARG  13           HG1      ARG  13   2.529   3.036  -8.904
   94    HD2  ARG  13           HD2      ARG  13   0.976   4.762  -9.448
   95    HD3  ARG  13           HD1      ARG  13   1.745   5.900  -8.344
   96    HE   ARG  13           HE       ARG  13   3.682   5.200 -10.206
   97   HH11  ARG  13          1HH2      ARG  13   0.521   6.608 -10.178
   98   HH12  ARG  13          2HH2      ARG  13   0.793   7.585 -11.582
   99   HH21  ARG  13          1HH1      ARG  13   4.046   6.477 -12.049
  100   HH22  ARG  13          2HH1      ARG  13   2.788   7.510 -12.642
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  -1.199   6.263   3.348
    2    H2   GLY   1           HT2      GLY   1  -1.020   5.437   4.823
    3    H3   GLY   1           HT3      GLY   1  -2.510   6.148   4.418
    4    HA2  GLY   1           HA2      GLY   1  -2.847   3.899   3.999
    5    HA3  GLY   1           HA1      GLY   1  -2.526   4.607   2.417
    6    H    CYS   2           H        CYS   2  -1.899   1.975   4.120
    7    HA   CYS   2           HA       CYS   2   0.851   1.584   4.177
    8    HB2  CYS   2           HB2      CYS   2   0.230  -0.873   3.759
    9    HB3  CYS   2           HB1      CYS   2  -0.453  -0.096   5.183
   10    H    ABA   3           H        ABA   3  -1.053   2.278   1.514
   11    HA   ABA   3           HA       ABA   3  -0.389   0.859  -0.644
   12    HB3  ABA   3           HB1      ABA   3  -0.054   3.002  -1.907
   13    HB2  ABA   3           HB2      ABA   3  -0.098   3.855  -0.365
   14    HG1  ABA   3           HG       ABA   3  -2.445   2.258  -0.324
   15    H    SER   4           H        SER   4   1.894   2.762   1.250
   16    HA   SER   4           HA       SER   4   4.090   2.629  -0.551
   17    HB2  SER   4           HB2      SER   4   5.463   3.188   1.399
   18    HB3  SER   4           HB1      SER   4   3.999   4.169   1.372
   19    HG   SER   4           HG       SER   4   3.095   2.770   2.890
   20    H    ASP   5           H        ASP   5   3.028   0.475   2.051
   21    HA   ASP   5           HA       ASP   5   5.250  -1.331   1.665
   22    HB2  ASP   5           HB2      ASP   5   2.800  -1.423   3.426
   23    HB3  ASP   5           HB1      ASP   5   4.023  -2.692   3.400
   24    HA   PRO   6           HA       PRO   6   3.265  -3.914  -1.368
   25    HB2  PRO   6           HB2      PRO   6   4.410  -6.347  -0.781
   26    HB3  PRO   6           HB1      PRO   6   5.243  -5.048  -1.658
   27    HG2  PRO   6           HG2      PRO   6   5.455  -5.848   1.200
   28    HG3  PRO   6           HG1      PRO   6   6.712  -5.296   0.080
   29    HD2  PRO   6           HD2      PRO   6   5.609  -3.672   1.978
   30    HD3  PRO   6           HD1      PRO   6   6.244  -3.062   0.435
   31    H    ARG   7           H        ARG   7   3.149  -4.861   2.011
   32    HA   ARG   7           HA       ARG   7   1.201  -6.928   1.730
   33    HB2  ARG   7           HB2      ARG   7   2.105  -5.266   4.087
   34    HB3  ARG   7           HB1      ARG   7   0.934  -6.579   4.220
   35    HG2  ARG   7           HG2      ARG   7   2.645  -8.094   3.135
   36    HG3  ARG   7           HG1      ARG   7   3.810  -6.777   3.286
   37    HD2  ARG   7           HD2      ARG   7   2.266  -7.969   5.600
   38    HD3  ARG   7           HD1      ARG   7   3.917  -8.408   5.178
   39    HE   ARG   7           HE       ARG   7   3.042  -5.912   6.407
   40   HH11  ARG   7          1HH2      ARG   7   5.510  -7.698   4.763
   41   HH12  ARG   7          2HH2      ARG   7   6.802  -6.687   5.315
   42   HH21  ARG   7          1HH1      ARG   7   4.732  -4.581   7.133
   43   HH22  ARG   7          2HH1      ARG   7   6.363  -4.922   6.656
   44    H    CYS   8           H        CYS   8   0.998  -3.546   1.535
   45    HA   CYS   8           HA       CYS   8  -1.433  -2.922   2.718
   46    HB2  CYS   8           HB2      CYS   8   0.251  -1.410   1.505
   47    HB3  CYS   8           HB1      CYS   8  -0.605  -1.842   0.034
   48    H    ARG   9           H        ARG   9  -3.532  -3.247   2.241
   49    HA   ARG   9           HA       ARG   9  -4.304  -5.330   0.505
   50    HB2  ARG   9           HB2      ARG   9  -5.898  -3.135   1.839
   51    HB3  ARG   9           HB1      ARG   9  -6.633  -4.452   0.924
   52    HG2  ARG   9           HG2      ARG   9  -5.577  -6.100   2.412
   53    HG3  ARG   9           HG1      ARG   9  -4.805  -4.798   3.318
   54    HD2  ARG   9           HD2      ARG   9  -7.011  -3.901   3.932
   55    HD3  ARG   9           HD1      ARG   9  -7.796  -5.181   3.011
   56    HE   ARG   9           HE       ARG   9  -6.071  -6.388   4.871
   57   HH11  ARG   9          1HH2      ARG   9  -8.928  -4.439   4.748
   58   HH12  ARG   9          2HH2      ARG   9  -9.587  -5.067   6.220
   59   HH21  ARG   9          1HH1      ARG   9  -6.930  -7.217   6.804
   60   HH22  ARG   9          2HH1      ARG   9  -8.456  -6.640   7.385
   61    H    TYR  10           H        TYR  10  -4.270  -1.820   0.130
   62    HA   TYR  10           HA       TYR  10  -4.930  -2.176  -2.732
   63    HB2  TYR  10           HB2      TYR  10  -5.961   0.082  -2.626
   64    HB3  TYR  10           HB1      TYR  10  -6.788  -1.093  -1.601
   65    HD1  TYR  10           HD1      TYR  10  -6.535  -1.029   0.847
   66    HD2  TYR  10           HD2      TYR  10  -4.655   1.897  -1.672
   67    HE1  TYR  10           HE1      TYR  10  -6.132   0.413   2.823
   68    HE2  TYR  10           HE2      TYR  10  -4.250   3.339   0.306
   69    HH   TYR  10           HH       TYR  10  -4.076   3.178   2.691
   70    H    ARG  11           H        ARG  11  -4.005  -0.582  -4.172
   71    HA   ARG  11           HA       ARG  11  -1.344   0.279  -3.257
   72    HB2  ARG  11           HB2      ARG  11  -1.421  -1.270  -5.177
   73    HB3  ARG  11           HB1      ARG  11  -2.404  -0.106  -6.066
   74    HG2  ARG  11           HG2      ARG  11  -0.616   1.532  -6.009
   75    HG3  ARG  11           HG1      ARG  11   0.353   0.492  -4.967
   76    HD2  ARG  11           HD2      ARG  11   0.488  -1.196  -6.739
   77    HD3  ARG  11           HD1      ARG  11  -0.537  -0.211  -7.777
   78    HE   ARG  11           HE       ARG  11   1.623   1.391  -7.063
   79   HH11  ARG  11          1HH2      ARG  11   1.036  -1.609  -8.684
   80   HH12  ARG  11          2HH2      ARG  11   2.409  -1.471  -9.731
   81   HH21  ARG  11          1HH1      ARG  11   3.426   1.579  -8.431
   82   HH22  ARG  11          2HH1      ARG  11   3.763   0.333  -9.587
   83    H    ABA  12           H        ABA  12  -0.655   2.362  -3.445
   84    HA   ABA  12           HA       ABA  12  -2.515   4.344  -4.587
   85    HB3  ABA  12           HB1      ABA  12  -2.538   5.656  -2.715
   86    HB2  ABA  12           HB2      ABA  12  -0.973   5.097  -2.151
   87    HG1  ABA  12           HG       ABA  12  -3.672   3.804  -1.706
   88    H    ARG  13           H        ARG  13  -1.482   6.397  -5.116
   89    HA   ARG  13           HA       ARG  13   1.206   5.956  -6.179
   90    HB2  ARG  13           HB2      ARG  13  -0.357   8.492  -6.549
   91    HB3  ARG  13           HB1      ARG  13   0.785   7.717  -7.646
   92    HG2  ARG  13           HG2      ARG  13  -1.984   6.685  -6.955
   93    HG3  ARG  13           HG1      ARG  13  -1.511   7.446  -8.471
   94    HD2  ARG  13           HD2      ARG  13  -0.453   4.833  -7.361
   95    HD3  ARG  13           HD1      ARG  13  -1.490   5.035  -8.768
   96    HE   ARG  13           HE       ARG  13   1.372   5.530  -8.639
   97   HH11  ARG  13          1HH2      ARG  13  -1.630   6.044 -10.284
   98   HH12  ARG  13          2HH2      ARG  13  -0.890   6.413 -11.806
   99   HH21  ARG  13          1HH1      ARG  13   2.347   6.014 -10.630
  100   HH22  ARG  13          2HH1      ARG  13   1.361   6.395 -12.002
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   0.427   5.236   6.647
    2    H2   GLY   1           HT2      GLY   1   1.806   4.800   7.539
    3    H3   GLY   1           HT3      GLY   1   0.746   3.602   6.966
    4    HA2  GLY   1           HA2      GLY   1   1.654   5.214   4.819
    5    HA3  GLY   1           HA1      GLY   1   3.015   4.544   5.719
    6    H    CYS   2           H        CYS   2  -0.247   3.252   5.098
    7    HA   CYS   2           HA       CYS   2   0.658   0.604   4.667
    8    HB2  CYS   2           HB2      CYS   2  -1.689   1.314   5.299
    9    HB3  CYS   2           HB1      CYS   2  -1.908   1.811   3.622
   10    H    ABA   3           H        ABA   3  -0.237   3.219   2.469
   11    HA   ABA   3           HA       ABA   3  -0.048   1.910   0.025
   12    HB3  ABA   3           HB1      ABA   3   0.823   4.287  -0.714
   13    HB2  ABA   3           HB2      ABA   3   0.374   4.728   0.929
   14    HG1  ABA   3           HG       ABA   3  -1.953   4.313   0.500
   15    H    SER   4           H        SER   4   2.475   3.186   2.099
   16    HA   SER   4           HA       SER   4   4.608   2.999   0.240
   17    HB2  SER   4           HB2      SER   4   6.049   3.357   2.090
   18    HB3  SER   4           HB1      SER   4   4.576   4.245   2.467
   19    HG   SER   4           HG       SER   4   5.665   2.002   3.648
   20    H    ASP   5           H        ASP   5   2.916   0.604   2.104
   21    HA   ASP   5           HA       ASP   5   5.066  -1.338   1.677
   22    HB2  ASP   5           HB2      ASP   5   4.211  -2.563   3.415
   23    HB3  ASP   5           HB1      ASP   5   3.706  -0.947   3.894
   24    HA   PRO   6           HA       PRO   6   2.757  -3.047  -1.772
   25    HB2  PRO   6           HB2      PRO   6   4.005  -5.465  -2.004
   26    HB3  PRO   6           HB1      PRO   6   4.738  -3.934  -2.524
   27    HG2  PRO   6           HG2      PRO   6   5.206  -5.511  -0.042
   28    HG3  PRO   6           HG1      PRO   6   6.358  -4.625  -1.054
   29    HD2  PRO   6           HD2      PRO   6   5.377  -3.645   1.311
   30    HD3  PRO   6           HD1      PRO   6   5.939  -2.619  -0.027
   31    H    ARG   7           H        ARG   7   2.910  -4.519   1.343
   32    HA   ARG   7           HA       ARG   7   1.104  -6.688   0.807
   33    HB2  ARG   7           HB2      ARG   7   1.884  -5.422   3.446
   34    HB3  ARG   7           HB1      ARG   7   1.091  -6.982   3.238
   35    HG2  ARG   7           HG2      ARG   7   3.822  -6.258   2.136
   36    HG3  ARG   7           HG1      ARG   7   3.540  -7.233   3.576
   37    HD2  ARG   7           HD2      ARG   7   3.752  -8.922   2.017
   38    HD3  ARG   7           HD1      ARG   7   2.021  -8.635   1.888
   39    HE   ARG   7           HE       ARG   7   3.538  -6.981   0.091
   40   HH11  ARG   7          1HH2      ARG   7   2.199 -10.124   0.636
   41   HH12  ARG   7          2HH2      ARG   7   2.059 -10.509  -1.047
   42   HH21  ARG   7          1HH1      ARG   7   3.356  -7.477  -2.118
   43   HH22  ARG   7          2HH1      ARG   7   2.714  -9.009  -2.606
   44    H    CYS   8           H        CYS   8   0.713  -3.338   1.231
   45    HA   CYS   8           HA       CYS   8  -1.577  -2.962   2.674
   46    HB2  CYS   8           HB2      CYS   8  -0.158  -1.320   1.171
   47    HB3  CYS   8           HB1      CYS   8  -1.417  -1.660  -0.018
   48    H    ARG   9           H        ARG   9  -3.801  -2.883   2.189
   49    HA   ARG   9           HA       ARG   9  -4.817  -5.193   0.956
   50    HB2  ARG   9           HB2      ARG   9  -6.166  -2.602   1.747
   51    HB3  ARG   9           HB1      ARG   9  -7.044  -4.021   1.181
   52    HG2  ARG   9           HG2      ARG   9  -5.154  -4.017   3.555
   53    HG3  ARG   9           HG1      ARG   9  -6.905  -3.874   3.686
   54    HD2  ARG   9           HD2      ARG   9  -6.783  -6.152   3.891
   55    HD3  ARG   9           HD1      ARG   9  -6.746  -6.092   2.134
   56    HE   ARG   9           HE       ARG   9  -4.129  -5.903   3.347
   57   HH11  ARG   9          1HH2      ARG   9  -6.667  -7.973   2.229
   58   HH12  ARG   9          2HH2      ARG   9  -5.624  -9.326   1.941
   59   HH21  ARG   9          1HH1      ARG   9  -2.756  -7.673   2.973
   60   HH22  ARG   9          2HH1      ARG   9  -3.410  -9.156   2.363
   61    H    TYR  10           H        TYR  10  -4.359  -1.915  -0.236
   62    HA   TYR  10           HA       TYR  10  -4.997  -2.894  -2.946
   63    HB2  TYR  10           HB2      TYR  10  -6.227  -0.886  -3.445
   64    HB3  TYR  10           HB1      TYR  10  -6.922  -1.598  -1.987
   65    HD1  TYR  10           HD2      TYR  10  -6.235  -0.685   0.279
   66    HD2  TYR  10           HD1      TYR  10  -5.236   1.276  -3.410
   67    HE1  TYR  10           HE2      TYR  10  -5.785   1.416   1.516
   68    HE2  TYR  10           HE1      TYR  10  -4.779   3.375  -2.173
   69    HH   TYR  10           HH       TYR  10  -4.314   3.518   1.090
   70    H    ARG  11           H        ARG  11  -4.012  -1.640  -4.653
   71    HA   ARG  11           HA       ARG  11  -1.332  -0.843  -3.985
   72    HB2  ARG  11           HB2      ARG  11  -2.777  -0.569  -6.630
   73    HB3  ARG  11           HB1      ARG  11  -1.032  -0.555  -6.367
   74    HG2  ARG  11           HG2      ARG  11  -2.873  -2.890  -5.765
   75    HG3  ARG  11           HG1      ARG  11  -1.806  -2.771  -7.163
   76    HD2  ARG  11           HD2      ARG  11  -0.457  -3.980  -5.717
   77    HD3  ARG  11           HD1      ARG  11   0.039  -2.341  -5.309
   78    HE   ARG  11           HE       ARG  11  -2.152  -3.116  -3.678
   79   HH11  ARG  11          1HH2      ARG  11   1.214  -3.698  -4.231
   80   HH12  ARG  11          2HH2      ARG  11   1.550  -4.133  -2.589
   81   HH21  ARG  11          1HH1      ARG  11  -1.718  -3.686  -1.523
   82   HH22  ARG  11          2HH1      ARG  11  -0.110  -4.126  -1.055
   83    H    ABA  12           H        ABA  12  -0.534   1.156  -3.696
   84    HA   ABA  12           HA       ABA  12  -2.416   3.401  -3.806
   85    HB3  ABA  12           HB1      ABA  12  -0.056   4.379  -2.802
   86    HB2  ABA  12           HB2      ABA  12  -0.031   2.709  -2.242
   87    HG1  ABA  12           HG       ABA  12  -2.682   3.905  -1.756
   88    H    ARG  13           H        ARG  13  -0.560   1.991  -5.995
   89    HA   ARG  13           HA       ARG  13   0.953   4.260  -6.971
   90    HB2  ARG  13           HB2      ARG  13   0.603   1.409  -7.722
   91    HB3  ARG  13           HB1      ARG  13   0.983   2.519  -9.039
   92    HG2  ARG  13           HG2      ARG  13   3.051   1.624  -8.073
   93    HG3  ARG  13           HG1      ARG  13   2.933   3.353  -7.757
   94    HD2  ARG  13           HD2      ARG  13   2.243   2.984  -5.494
   95    HD3  ARG  13           HD1      ARG  13   1.981   1.268  -5.788
   96    HE   ARG  13           HE       ARG  13   4.660   1.744  -6.346
   97   HH11  ARG  13          1HH2      ARG  13   2.475   2.059  -3.682
   98   HH12  ARG  13          2HH2      ARG  13   3.688   1.787  -2.476
   99   HH21  ARG  13          1HH1      ARG  13   6.257   1.387  -4.771
  100   HH22  ARG  13          2HH1      ARG  13   5.829   1.406  -3.093
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  -0.404   6.858   3.841
    2    H2   GLY   1           HT2      GLY   1  -0.996   5.295   3.539
    3    H3   GLY   1           HT3      GLY   1  -0.011   6.070   2.392
    4    HA2  GLY   1           HA2      GLY   1   1.908   5.800   3.624
    5    HA3  GLY   1           HA1      GLY   1   0.995   5.556   5.114
    6    H    CYS   2           H        CYS   2  -0.932   3.739   4.101
    7    HA   CYS   2           HA       CYS   2   0.422   1.284   4.419
    8    HB2  CYS   2           HB2      CYS   2  -1.986   1.624   4.908
    9    HB3  CYS   2           HB1      CYS   2  -2.300   1.775   3.180
   10    H    ABA   3           H        ABA   3  -0.843   2.918   1.542
   11    HA   ABA   3           HA       ABA   3  -0.321   0.982  -0.366
   12    HB3  ABA   3           HB1      ABA   3   0.003   2.940  -1.941
   13    HB2  ABA   3           HB2      ABA   3  -0.142   3.987  -0.527
   14    HG1  ABA   3           HG       ABA   3  -2.411   2.249  -0.409
   15    H    SER   4           H        SER   4   1.918   2.803   1.494
   16    HA   SER   4           HA       SER   4   4.132   2.721  -0.302
   17    HB2  SER   4           HB2      SER   4   5.429   3.506   1.518
   18    HB3  SER   4           HB1      SER   4   3.835   4.218   1.751
   19    HG   SER   4           HG       SER   4   5.181   2.673   3.407
   20    H    ASP   5           H        ASP   5   2.624   0.389   1.730
   21    HA   ASP   5           HA       ASP   5   4.986  -1.333   1.640
   22    HB2  ASP   5           HB2      ASP   5   2.447  -1.574   3.253
   23    HB3  ASP   5           HB1      ASP   5   3.789  -2.710   3.307
   24    HA   PRO   6           HA       PRO   6   3.080  -3.818  -1.567
   25    HB2  PRO   6           HB2      PRO   6   4.433  -6.173  -1.186
   26    HB3  PRO   6           HB1      PRO   6   5.151  -4.744  -1.958
   27    HG2  PRO   6           HG2      PRO   6   5.470  -5.768   0.814
   28    HG3  PRO   6           HG1      PRO   6   6.663  -5.019  -0.261
   29    HD2  PRO   6           HD2      PRO   6   5.436  -3.675   1.779
   30    HD3  PRO   6           HD1      PRO   6   6.055  -2.888   0.309
   31    H    ARG   7           H        ARG   7   3.093  -4.832   1.761
   32    HA   ARG   7           HA       ARG   7   1.289  -7.047   1.405
   33    HB2  ARG   7           HB2      ARG   7   2.189  -5.548   3.875
   34    HB3  ARG   7           HB1      ARG   7   1.177  -6.992   3.902
   35    HG2  ARG   7           HG2      ARG   7   2.911  -8.313   2.859
   36    HG3  ARG   7           HG1      ARG   7   3.900  -6.879   2.579
   37    HD2  ARG   7           HD2      ARG   7   3.079  -7.866   5.322
   38    HD3  ARG   7           HD1      ARG   7   4.631  -8.220   4.569
   39    HE   ARG   7           HE       ARG   7   4.289  -5.440   4.517
   40   HH11  ARG   7          1HH2      ARG   7   4.597  -8.029   6.792
   41   HH12  ARG   7          2HH2      ARG   7   5.350  -7.052   8.010
   42   HH21  ARG   7          1HH1      ARG   7   5.275  -4.154   6.108
   43   HH22  ARG   7          2HH1      ARG   7   5.733  -4.859   7.621
   44    H    CYS   8           H        CYS   8   0.904  -3.705   1.356
   45    HA   CYS   8           HA       CYS   8  -1.495  -3.293   2.769
   46    HB2  CYS   8           HB2      CYS   8   0.075  -1.585   1.664
   47    HB3  CYS   8           HB1      CYS   8  -0.833  -1.900   0.186
   48    H    ARG   9           H        ARG   9  -3.610  -3.506   2.254
   49    HA   ARG   9           HA       ARG   9  -4.394  -5.519   0.458
   50    HB2  ARG   9           HB2      ARG   9  -5.971  -3.331   1.831
   51    HB3  ARG   9           HB1      ARG   9  -6.718  -4.611   0.876
   52    HG2  ARG   9           HG2      ARG   9  -4.767  -5.395   3.004
   53    HG3  ARG   9           HG1      ARG   9  -6.382  -4.893   3.501
   54    HD2  ARG   9           HD2      ARG   9  -7.369  -6.575   1.984
   55    HD3  ARG   9           HD1      ARG   9  -5.759  -7.079   1.488
   56    HE   ARG   9           HE       ARG   9  -5.874  -7.280   4.277
   57   HH11  ARG   9          1HH2      ARG   9  -7.362  -8.624   1.457
   58   HH12  ARG   9          2HH2      ARG   9  -7.677 -10.163   2.187
   59   HH21  ARG   9          1HH1      ARG   9  -6.282  -9.297   5.241
   60   HH22  ARG   9          2HH1      ARG   9  -7.066 -10.543   4.329
   61    H    TYR  10           H        TYR  10  -4.278  -2.004   0.145
   62    HA   TYR  10           HA       TYR  10  -4.893  -2.313  -2.733
   63    HB2  TYR  10           HB2      TYR  10  -5.954  -0.097  -2.659
   64    HB3  TYR  10           HB1      TYR  10  -6.771  -1.230  -1.581
   65    HD1  TYR  10           HD1      TYR  10  -6.470  -1.085   0.866
   66    HD2  TYR  10           HD2      TYR  10  -4.663   1.763  -1.793
   67    HE1  TYR  10           HE1      TYR  10  -6.049   0.434   2.780
   68    HE2  TYR  10           HE2      TYR  10  -4.238   3.282   0.123
   69    HH   TYR  10           HH       TYR  10  -5.337   3.626   2.472
   70    H    ARG  11           H        ARG  11  -3.885  -0.740  -4.132
   71    HA   ARG  11           HA       ARG  11  -1.288   0.172  -3.066
   72    HB2  ARG  11           HB2      ARG  11  -2.166  -0.384  -5.907
   73    HB3  ARG  11           HB1      ARG  11  -0.562   0.177  -5.433
   74    HG2  ARG  11           HG2      ARG  11  -0.261  -1.841  -4.045
   75    HG3  ARG  11           HG1      ARG  11  -1.865  -2.404  -4.518
   76    HD2  ARG  11           HD2      ARG  11  -0.227  -3.501  -5.926
   77    HD3  ARG  11           HD1      ARG  11  -1.127  -2.360  -6.903
   78    HE   ARG  11           HE       ARG  11   1.662  -2.031  -5.993
   79   HH11  ARG  11          1HH2      ARG  11  -1.077  -0.924  -7.801
   80   HH12  ARG  11          2HH2      ARG  11  -0.172   0.215  -8.730
   81   HH21  ARG  11          1HH1      ARG  11   2.851  -0.532  -7.211
   82   HH22  ARG  11          2HH1      ARG  11   2.050   0.441  -8.398
   83    H    ABA  12           H        ABA  12  -0.496   2.246  -3.580
   84    HA   ABA  12           HA       ABA  12  -2.352   4.145  -4.819
   85    HB3  ABA  12           HB1      ABA  12  -2.548   5.522  -3.007
   86    HB2  ABA  12           HB2      ABA  12  -1.003   5.059  -2.345
   87    HG1  ABA  12           HG       ABA  12  -3.660   3.661  -1.947
   88    H    ARG  13           H        ARG  13  -1.310   6.201  -5.353
   89    HA   ARG  13           HA       ARG  13   1.371   5.762  -6.351
   90    HB2  ARG  13           HB2      ARG  13  -0.169   8.354  -6.477
   91    HB3  ARG  13           HB1      ARG  13   1.072   7.763  -7.585
   92    HG2  ARG  13           HG2      ARG  13  -1.667   6.512  -7.199
   93    HG3  ARG  13           HG1      ARG  13  -1.188   7.526  -8.559
   94    HD2  ARG  13           HD2      ARG  13  -0.864   5.350  -9.384
   95    HD3  ARG  13           HD1      ARG  13   0.751   5.828  -8.868
   96    HE   ARG  13           HE       ARG  13   0.633   4.227  -7.180
   97   HH11  ARG  13          1HH2      ARG  13  -2.468   4.800  -8.601
   98   HH12  ARG  13          2HH2      ARG  13  -3.237   3.472  -7.796
   99   HH21  ARG  13          1HH1      ARG  13  -0.366   2.485  -6.119
  100   HH22  ARG  13          2HH1      ARG  13  -2.047   2.162  -6.390
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   1.416   5.446   3.918
    2    H2   GLY   1           HT2      GLY   1   3.016   4.999   3.564
    3    H3   GLY   1           HT3      GLY   1   2.701   6.154   4.769
    4    HA2  GLY   1           HA2      GLY   1   3.232   4.115   5.850
    5    HA3  GLY   1           HA1      GLY   1   1.509   4.427   6.054
    6    H    CYS   2           H        CYS   2   0.009   3.095   5.069
    7    HA   CYS   2           HA       CYS   2   0.807   0.448   4.462
    8    HB2  CYS   2           HB2      CYS   2  -1.472   1.211   5.295
    9    HB3  CYS   2           HB1      CYS   2  -1.796   1.757   3.650
   10    H    ABA   3           H        ABA   3  -0.202   3.181   2.463
   11    HA   ABA   3           HA       ABA   3  -0.277   2.088  -0.041
   12    HB3  ABA   3           HB1      ABA   3   0.896   4.413  -0.655
   13    HB2  ABA   3           HB2      ABA   3   0.513   4.752   1.029
   14    HG1  ABA   3           HG       ABA   3  -1.843   4.673   0.599
   15    H    SER   4           H        SER   4   2.624   3.308   1.623
   16    HA   SER   4           HA       SER   4   4.454   2.645  -0.423
   17    HB2  SER   4           HB2      SER   4   6.172   2.895   1.308
   18    HB3  SER   4           HB1      SER   4   4.987   4.194   1.417
   19    HG   SER   4           HG       SER   4   4.884   3.537   3.423
   20    H    ASP   5           H        ASP   5   3.203   0.821   2.334
   21    HA   ASP   5           HA       ASP   5   4.993  -1.352   2.067
   22    HB2  ASP   5           HB2      ASP   5   2.284  -1.195   3.380
   23    HB3  ASP   5           HB1      ASP   5   3.392  -2.564   3.526
   24    HA   PRO   6           HA       PRO   6   3.020  -3.276  -1.499
   25    HB2  PRO   6           HB2      PRO   6   4.331  -5.678  -1.462
   26    HB3  PRO   6           HB1      PRO   6   5.078  -4.172  -2.033
   27    HG2  PRO   6           HG2      PRO   6   5.378  -5.568   0.577
   28    HG3  PRO   6           HG1      PRO   6   6.585  -4.712  -0.396
   29    HD2  PRO   6           HD2      PRO   6   5.384  -3.624   1.820
   30    HD3  PRO   6           HD1      PRO   6   6.042  -2.663   0.475
   31    H    ARG   7           H        ARG   7   2.885  -4.477   1.713
   32    HA   ARG   7           HA       ARG   7   1.158  -6.723   1.155
   33    HB2  ARG   7           HB2      ARG   7   1.860  -5.342   3.759
   34    HB3  ARG   7           HB1      ARG   7   0.976  -6.861   3.619
   35    HG2  ARG   7           HG2      ARG   7   3.622  -6.625   2.238
   36    HG3  ARG   7           HG1      ARG   7   3.606  -6.860   3.986
   37    HD2  ARG   7           HD2      ARG   7   2.157  -8.630   1.991
   38    HD3  ARG   7           HD1      ARG   7   3.706  -9.013   2.734
   39    HE   ARG   7           HE       ARG   7   1.912  -8.456   4.804
   40   HH11  ARG   7          1HH2      ARG   7   2.346 -10.719   2.222
   41   HH12  ARG   7          2HH2      ARG   7   1.556 -12.021   3.045
   42   HH21  ARG   7          1HH1      ARG   7   0.875 -10.160   5.891
   43   HH22  ARG   7          2HH1      ARG   7   0.723 -11.705   5.123
   44    H    CYS   8           H        CYS   8   0.698  -3.399   1.232
   45    HA   CYS   8           HA       CYS   8  -1.691  -3.011   2.590
   46    HB2  CYS   8           HB2      CYS   8  -0.127  -1.410   1.129
   47    HB3  CYS   8           HB1      CYS   8  -1.390  -1.696  -0.067
   48    H    ARG   9           H        ARG   9  -3.841  -3.194   2.083
   49    HA   ARG   9           HA       ARG   9  -4.644  -5.423   0.569
   50    HB2  ARG   9           HB2      ARG   9  -6.240  -3.049   1.565
   51    HB3  ARG   9           HB1      ARG   9  -6.953  -4.511   0.888
   52    HG2  ARG   9           HG2      ARG   9  -5.100  -4.465   3.288
   53    HG3  ARG   9           HG1      ARG   9  -6.857  -4.537   3.396
   54    HD2  ARG   9           HD2      ARG   9  -6.431  -6.796   3.465
   55    HD3  ARG   9           HD1      ARG   9  -6.459  -6.605   1.716
   56    HE   ARG   9           HE       ARG   9  -4.185  -7.045   1.689
   57   HH11  ARG   9          1HH2      ARG   9  -5.238  -6.162   4.865
   58   HH12  ARG   9          2HH2      ARG   9  -3.719  -6.517   5.618
   59   HH21  ARG   9          1HH1      ARG   9  -2.189  -7.512   2.670
   60   HH22  ARG   9          2HH1      ARG   9  -1.993  -7.282   4.375
   61    H    TYR  10           H        TYR  10  -4.496  -1.987  -0.222
   62    HA   TYR  10           HA       TYR  10  -5.062  -2.693  -3.039
   63    HB2  TYR  10           HB2      TYR  10  -6.250  -0.574  -3.288
   64    HB3  TYR  10           HB1      TYR  10  -7.007  -1.548  -2.026
   65    HD1  TYR  10           HD1      TYR  10  -6.580  -1.033   0.380
   66    HD2  TYR  10           HD2      TYR  10  -5.162   1.511  -2.777
   67    HE1  TYR  10           HE1      TYR  10  -6.231   0.799   2.014
   68    HE2  TYR  10           HE2      TYR  10  -4.811   3.342  -1.144
   69    HH   TYR  10           HH       TYR  10  -4.829   2.847   2.203
   70    H    ARG  11           H        ARG  11  -4.000  -1.426  -4.608
   71    HA   ARG  11           HA       ARG  11  -1.378  -0.563  -3.832
   72    HB2  ARG  11           HB2      ARG  11  -2.854  -0.475  -6.470
   73    HB3  ARG  11           HB1      ARG  11  -1.176   0.031  -6.269
   74    HG2  ARG  11           HG2      ARG  11  -0.585  -2.207  -5.436
   75    HG3  ARG  11           HG1      ARG  11  -2.264  -2.721  -5.603
   76    HD2  ARG  11           HD2      ARG  11  -2.158  -2.284  -8.028
   77    HD3  ARG  11           HD1      ARG  11  -0.482  -1.768  -7.864
   78    HE   ARG  11           HE       ARG  11  -0.713  -4.355  -6.782
   79   HH11  ARG  11          1HH2      ARG  11  -0.969  -2.672  -9.794
   80   HH12  ARG  11          2HH2      ARG  11  -0.470  -4.026 -10.752
   81   HH21  ARG  11          1HH1      ARG  11  -0.057  -6.135  -8.030
   82   HH22  ARG  11          2HH1      ARG  11   0.046  -5.987  -9.754
   83    H    ABA  12           H        ABA  12  -0.534   1.490  -3.765
   84    HA   ABA  12           HA       ABA  12  -2.513   3.660  -3.636
   85    HB3  ABA  12           HB1      ABA  12  -0.038   4.630  -2.781
   86    HB2  ABA  12           HB2      ABA  12  -0.096   2.976  -2.181
   87    HG1  ABA  12           HG       ABA  12  -2.637   4.424  -1.666
   88    H    ARG  13           H        ARG  13  -0.554   2.348  -5.877
   89    HA   ARG  13           HA       ARG  13   0.418   4.889  -6.984
   90    HB2  ARG  13           HB2      ARG  13   1.116   2.023  -7.321
   91    HB3  ARG  13           HB1      ARG  13   1.245   3.030  -8.765
   92    HG2  ARG  13           HG2      ARG  13   3.376   3.022  -7.552
   93    HG3  ARG  13           HG1      ARG  13   2.659   4.630  -7.506
   94    HD2  ARG  13           HD2      ARG  13   1.867   4.298  -5.257
   95    HD3  ARG  13           HD1      ARG  13   2.281   2.589  -5.307
   96    HE   ARG  13           HE       ARG  13   4.644   3.990  -5.769
   97   HH11  ARG  13          1HH2      ARG  13   2.226   3.684  -3.313
   98   HH12  ARG  13          2HH2      ARG  13   3.314   4.011  -2.006
   99   HH21  ARG  13          1HH1      ARG  13   6.077   4.421  -4.060
  100   HH22  ARG  13          2HH1      ARG  13   5.495   4.429  -2.429
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   2.366   6.456   5.585
    2    H2   GLY   1           HT2      GLY   1   2.976   4.870   5.585
    3    H3   GLY   1           HT3      GLY   1   1.456   5.199   6.269
    4    HA2  GLY   1           HA2      GLY   1   0.463   5.595   4.199
    5    HA3  GLY   1           HA1      GLY   1   2.038   5.687   3.409
    6    H    CYS   2           H        CYS   2  -0.525   3.640   4.350
    7    HA   CYS   2           HA       CYS   2   0.754   1.140   4.499
    8    HB2  CYS   2           HB2      CYS   2  -1.571   1.478   5.170
    9    HB3  CYS   2           HB1      CYS   2  -2.015   1.811   3.497
   10    H    ABA   3           H        ABA   3  -0.687   2.837   1.720
   11    HA   ABA   3           HA       ABA   3  -0.353   0.927  -0.244
   12    HB3  ABA   3           HB1      ABA   3  -0.108   2.873  -1.825
   13    HB2  ABA   3           HB2      ABA   3  -0.040   3.925  -0.409
   14    HG1  ABA   3           HG       ABA   3  -2.399   2.324  -0.056
   15    H    SER   4           H        SER   4   2.075   2.825   1.356
   16    HA   SER   4           HA       SER   4   4.133   2.571  -0.596
   17    HB2  SER   4           HB2      SER   4   5.587   3.436   1.061
   18    HB3  SER   4           HB1      SER   4   4.029   4.188   1.390
   19    HG   SER   4           HG       SER   4   4.304   3.367   3.305
   20    H    ASP   5           H        ASP   5   2.769   0.387   1.693
   21    HA   ASP   5           HA       ASP   5   5.103  -1.372   1.532
   22    HB2  ASP   5           HB2      ASP   5   4.350  -2.432   3.466
   23    HB3  ASP   5           HB1      ASP   5   3.905  -0.750   3.734
   24    HA   PRO   6           HA       PRO   6   2.992  -3.999  -1.397
   25    HB2  PRO   6           HB2      PRO   6   4.247  -6.388  -0.876
   26    HB3  PRO   6           HB1      PRO   6   4.995  -5.061  -1.789
   27    HG2  PRO   6           HG2      PRO   6   5.378  -5.872   1.045
   28    HG3  PRO   6           HG1      PRO   6   6.559  -5.270  -0.131
   29    HD2  PRO   6           HD2      PRO   6   5.492  -3.704   1.835
   30    HD3  PRO   6           HD1      PRO   6   6.063  -3.069   0.277
   31    H    ARG   7           H        ARG   7   3.032  -4.747   2.000
   32    HA   ARG   7           HA       ARG   7   1.208  -6.946   1.917
   33    HB2  ARG   7           HB2      ARG   7   1.929  -5.076   4.193
   34    HB3  ARG   7           HB1      ARG   7   1.049  -6.594   4.355
   35    HG2  ARG   7           HG2      ARG   7   3.710  -6.598   2.969
   36    HG3  ARG   7           HG1      ARG   7   3.667  -6.545   4.730
   37    HD2  ARG   7           HD2      ARG   7   2.219  -8.581   4.714
   38    HD3  ARG   7           HD1      ARG   7   2.369  -8.651   2.964
   39    HE   ARG   7           HE       ARG   7   4.956  -8.582   4.086
   40   HH11  ARG   7          1HH2      ARG   7   2.146 -10.590   3.875
   41   HH12  ARG   7          2HH2      ARG   7   3.027 -12.075   4.007
   42   HH21  ARG   7          1HH1      ARG   7   6.119 -10.526   4.259
   43   HH22  ARG   7          2HH1      ARG   7   5.277 -12.039   4.225
   44    H    CYS   8           H        CYS   8   0.829  -3.570   1.584
   45    HA   CYS   8           HA       CYS   8  -1.668  -3.089   2.756
   46    HB2  CYS   8           HB2      CYS   8   0.063  -1.557   1.404
   47    HB3  CYS   8           HB1      CYS   8  -1.100  -1.861   0.111
   48    H    ARG   9           H        ARG   9  -3.768  -3.290   2.065
   49    HA   ARG   9           HA       ARG   9  -4.431  -5.497   0.450
   50    HB2  ARG   9           HB2      ARG   9  -6.072  -3.156   1.425
   51    HB3  ARG   9           HB1      ARG   9  -6.764  -4.517   0.543
   52    HG2  ARG   9           HG2      ARG   9  -5.944  -6.071   2.261
   53    HG3  ARG   9           HG1      ARG   9  -5.198  -4.729   3.131
   54    HD2  ARG   9           HD2      ARG   9  -7.374  -5.309   4.125
   55    HD3  ARG   9           HD1      ARG   9  -7.409  -3.686   3.439
   56    HE   ARG   9           HE       ARG   9  -8.930  -4.442   1.840
   57   HH11  ARG   9          1HH2      ARG   9  -7.480  -7.069   3.564
   58   HH12  ARG   9          2HH2      ARG   9  -8.554  -8.265   2.918
   59   HH21  ARG   9          1HH1      ARG   9 -10.341  -6.005   0.990
   60   HH22  ARG   9          2HH1      ARG   9 -10.173  -7.663   1.461
   61    H    TYR  10           H        TYR  10  -4.235  -2.035  -0.260
   62    HA   TYR  10           HA       TYR  10  -4.313  -2.689  -3.129
   63    HB2  TYR  10           HB2      TYR  10  -5.875  -0.920  -3.607
   64    HB3  TYR  10           HB1      TYR  10  -6.605  -1.967  -2.389
   65    HD1  TYR  10           HD1      TYR  10  -6.326  -1.300   0.083
   66    HD2  TYR  10           HD2      TYR  10  -5.571   1.384  -3.183
   67    HE1  TYR  10           HE1      TYR  10  -6.550   0.632   1.621
   68    HE2  TYR  10           HE2      TYR  10  -5.793   3.317  -1.646
   69    HH   TYR  10           HH       TYR  10  -6.014   2.896   1.813
   70    H    ARG  11           H        ARG  11  -3.361  -1.042  -4.479
   71    HA   ARG  11           HA       ARG  11  -1.175   0.335  -3.134
   72    HB2  ARG  11           HB2      ARG  11  -1.838   0.028  -6.071
   73    HB3  ARG  11           HB1      ARG  11  -0.376   0.783  -5.434
   74    HG2  ARG  11           HG2      ARG  11   0.268  -1.304  -4.337
   75    HG3  ARG  11           HG1      ARG  11  -1.228  -2.071  -4.869
   76    HD2  ARG  11           HD2      ARG  11   0.550  -2.728  -6.384
   77    HD3  ARG  11           HD1      ARG  11  -0.544  -1.643  -7.238
   78    HE   ARG  11           HE       ARG  11   1.556  -0.145  -6.059
   79   HH11  ARG  11          1HH2      ARG  11   0.876  -2.408  -8.587
   80   HH12  ARG  11          2HH2      ARG  11   2.143  -1.842  -9.624
   81   HH21  ARG  11          1HH1      ARG  11   3.221   0.603  -7.412
   82   HH22  ARG  11          2HH1      ARG  11   3.470  -0.137  -8.958
   83    H    ABA  12           H        ABA  12  -0.663   2.577  -3.552
   84    HA   ABA  12           HA       ABA  12  -3.011   4.234  -4.246
   85    HB3  ABA  12           HB1      ABA  12  -2.568   5.706  -2.457
   86    HB2  ABA  12           HB2      ABA  12  -0.991   5.006  -2.168
   87    HG1  ABA  12           HG       ABA  12  -3.707   3.830  -1.415
   88    H    ARG  13           H        ARG  13  -1.707   6.696  -3.923
   89    HA   ARG  13           HA       ARG  13   0.497   6.596  -5.877
   90    HB2  ARG  13           HB2      ARG  13  -1.040   8.930  -6.403
   91    HB3  ARG  13           HB1      ARG  13  -0.747   7.556  -7.471
   92    HG2  ARG  13           HG2      ARG  13  -3.142   7.831  -7.206
   93    HG3  ARG  13           HG1      ARG  13  -2.651   6.360  -6.375
   94    HD2  ARG  13           HD2      ARG  13  -3.631   7.178  -4.516
   95    HD3  ARG  13           HD1      ARG  13  -2.360   8.393  -4.464
   96    HE   ARG  13           HE       ARG  13  -4.397   9.200  -6.267
   97   HH11  ARG  13          1HH2      ARG  13  -3.676   8.774  -2.910
   98   HH12  ARG  13          2HH2      ARG  13  -4.764  10.011  -2.377
   99   HH21  ARG  13          1HH1      ARG  13  -5.828  10.826  -5.575
  100   HH22  ARG  13          2HH1      ARG  13  -5.981  11.174  -3.885
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  -3.310   4.553   5.042
    2    H2   GLY   1           HT2      GLY   1  -2.384   3.129   5.055
    3    H3   GLY   1           HT3      GLY   1  -3.662   3.304   3.949
    4    HA2  GLY   1           HA2      GLY   1  -2.470   4.545   2.522
    5    HA3  GLY   1           HA1      GLY   1  -1.599   5.347   3.833
    6    H    CYS   2           H        CYS   2  -1.800   1.973   4.151
    7    HA   CYS   2           HA       CYS   2   0.944   1.528   4.180
    8    HB2  CYS   2           HB2      CYS   2   0.261  -0.913   3.726
    9    HB3  CYS   2           HB1      CYS   2  -0.367  -0.145   5.182
   10    H    ABA   3           H        ABA   3  -0.986   2.248   1.532
   11    HA   ABA   3           HA       ABA   3  -0.352   0.811  -0.627
   12    HB3  ABA   3           HB1      ABA   3  -0.115   2.888  -1.939
   13    HB2  ABA   3           HB2      ABA   3   0.054   3.805  -0.441
   14    HG1  ABA   3           HG       ABA   3  -2.370   2.338  -0.126
   15    H    SER   4           H        SER   4   1.960   2.692   1.247
   16    HA   SER   4           HA       SER   4   4.133   2.536  -0.581
   17    HB2  SER   4           HB2      SER   4   5.533   3.075   1.376
   18    HB3  SER   4           HB1      SER   4   4.106   4.106   1.299
   19    HG   SER   4           HG       SER   4   4.806   2.133   3.110
   20    H    ASP   5           H        ASP   5   3.088   0.420   2.058
   21    HA   ASP   5           HA       ASP   5   5.293  -1.404   1.670
   22    HB2  ASP   5           HB2      ASP   5   2.849  -1.469   3.443
   23    HB3  ASP   5           HB1      ASP   5   4.071  -2.740   3.429
   24    HA   PRO   6           HA       PRO   6   3.257  -4.023  -1.300
   25    HB2  PRO   6           HB2      PRO   6   4.396  -6.450  -0.708
   26    HB3  PRO   6           HB1      PRO   6   5.228  -5.156  -1.593
   27    HG2  PRO   6           HG2      PRO   6   5.450  -5.941   1.269
   28    HG3  PRO   6           HG1      PRO   6   6.707  -5.410   0.139
   29    HD2  PRO   6           HD2      PRO   6   5.627  -3.758   2.028
   30    HD3  PRO   6           HD1      PRO   6   6.263  -3.169   0.476
   31    H    ARG   7           H        ARG   7   3.082  -4.755   2.097
   32    HA   ARG   7           HA       ARG   7   1.154  -6.886   1.869
   33    HB2  ARG   7           HB2      ARG   7   1.961  -5.200   4.253
   34    HB3  ARG   7           HB1      ARG   7   1.000  -6.676   4.321
   35    HG2  ARG   7           HG2      ARG   7   3.710  -6.684   3.008
   36    HG3  ARG   7           HG1      ARG   7   3.569  -6.834   4.758
   37    HD2  ARG   7           HD2      ARG   7   2.029  -8.776   4.421
   38    HD3  ARG   7           HD1      ARG   7   2.311  -8.662   2.688
   39    HE   ARG   7           HE       ARG   7   4.806  -8.837   3.974
   40   HH11  ARG   7          1HH2      ARG   7   1.930 -10.673   3.395
   41   HH12  ARG   7          2HH2      ARG   7   2.735 -12.206   3.430
   42   HH21  ARG   7          1HH1      ARG   7   5.868 -10.846   4.022
   43   HH22  ARG   7          2HH1      ARG   7   4.964 -12.305   3.785
   44    H    CYS   8           H        CYS   8   0.938  -3.583   1.446
   45    HA   CYS   8           HA       CYS   8  -1.442  -2.883   2.749
   46    HB2  CYS   8           HB2      CYS   8   0.239  -1.416   1.446
   47    HB3  CYS   8           HB1      CYS   8  -0.696  -1.852   0.025
   48    H    ARG   9           H        ARG   9  -3.582  -2.974   2.196
   49    HA   ARG   9           HA       ARG   9  -4.480  -5.192   0.714
   50    HB2  ARG   9           HB2      ARG   9  -5.915  -2.714   1.673
   51    HB3  ARG   9           HB1      ARG   9  -6.732  -4.081   0.918
   52    HG2  ARG   9           HG2      ARG   9  -5.876  -5.582   2.660
   53    HG3  ARG   9           HG1      ARG   9  -5.004  -4.241   3.403
   54    HD2  ARG   9           HD2      ARG   9  -7.143  -3.065   3.779
   55    HD3  ARG   9           HD1      ARG   9  -8.009  -4.417   3.058
   56    HE   ARG   9           HE       ARG   9  -6.809  -4.338   5.702
   57   HH11  ARG   9          1HH2      ARG   9  -8.033  -6.248   3.091
   58   HH12  ARG   9          2HH2      ARG   9  -8.373  -7.630   4.078
   59   HH21  ARG   9          1HH1      ARG   9  -7.256  -6.145   7.005
   60   HH22  ARG   9          2HH1      ARG   9  -7.933  -7.572   6.294
   61    H    TYR  10           H        TYR  10  -4.166  -1.760  -0.137
   62    HA   TYR  10           HA       TYR  10  -4.410  -2.511  -2.971
   63    HB2  TYR  10           HB2      TYR  10  -5.995  -0.772  -3.441
   64    HB3  TYR  10           HB1      TYR  10  -6.645  -1.703  -2.090
   65    HD1  TYR  10           HD1      TYR  10  -6.102  -0.846   0.303
   66    HD2  TYR  10           HD2      TYR  10  -5.683   1.543  -3.238
   67    HE1  TYR  10           HE1      TYR  10  -6.166   1.209   1.686
   68    HE2  TYR  10           HE2      TYR  10  -5.740   3.602  -1.856
   69    HH   TYR  10           HH       TYR  10  -5.295   4.269   0.465
   70    H    ARG  11           H        ARG  11  -3.515  -0.910  -4.424
   71    HA   ARG  11           HA       ARG  11  -1.204   0.421  -3.267
   72    HB2  ARG  11           HB2      ARG  11  -2.123   0.192  -6.142
   73    HB3  ARG  11           HB1      ARG  11  -0.571   0.839  -5.608
   74    HG2  ARG  11           HG2      ARG  11   0.066  -1.296  -4.660
   75    HG3  ARG  11           HG1      ARG  11  -1.541  -1.959  -4.965
   76    HD2  ARG  11           HD2      ARG  11   0.356  -0.985  -7.118
   77    HD3  ARG  11           HD1      ARG  11   0.124  -2.673  -6.675
   78    HE   ARG  11           HE       ARG  11  -2.401  -1.637  -7.253
   79   HH11  ARG  11          1HH2      ARG  11   0.641  -2.162  -8.816
   80   HH12  ARG  11          2HH2      ARG  11  -0.050  -2.393 -10.389
   81   HH21  ARG  11          1HH1      ARG  11  -3.314  -1.936  -9.312
   82   HH22  ARG  11          2HH1      ARG  11  -2.289  -2.264 -10.669
   83    H    ABA  12           H        ABA  12  -0.678   2.641  -3.655
   84    HA   ABA  12           HA       ABA  12  -2.999   4.380  -4.211
   85    HB3  ABA  12           HB1      ABA  12  -2.476   5.798  -2.406
   86    HB2  ABA  12           HB2      ABA  12  -0.912   5.051  -2.145
   87    HG1  ABA  12           HG       ABA  12  -3.637   3.951  -1.369
   88    H    ARG  13           H        ARG  13  -1.838   6.808  -4.072
   89    HA   ARG  13           HA       ARG  13  -0.112   6.792  -6.423
   90    HB2  ARG  13           HB2      ARG  13  -0.987   9.269  -4.967
   91    HB3  ARG  13           HB1      ARG  13  -0.671   9.043  -6.689
   92    HG2  ARG  13           HG2      ARG  13  -3.011   7.901  -5.134
   93    HG3  ARG  13           HG1      ARG  13  -3.077   9.202  -6.322
   94    HD2  ARG  13           HD2      ARG  13  -2.120   7.572  -8.009
   95    HD3  ARG  13           HD1      ARG  13  -2.369   6.303  -6.813
   96    HE   ARG  13           HE       ARG  13  -4.767   7.795  -7.222
   97   HH11  ARG  13          1HH2      ARG  13  -2.685   5.405  -8.611
   98   HH12  ARG  13          2HH2      ARG  13  -3.944   4.634  -9.516
   99   HH21  ARG  13          1HH1      ARG  13  -6.425   6.789  -8.406
  100   HH22  ARG  13          2HH1      ARG  13  -6.062   5.417  -9.400
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   2.322   6.527   3.230
    2    H2   GLY   1           HT2      GLY   1   0.874   6.886   2.417
    3    H3   GLY   1           HT3      GLY   1   1.714   5.450   2.070
    4    HA2  GLY   1           HA2      GLY   1   1.078   5.686   4.851
    5    HA3  GLY   1           HA1      GLY   1  -0.354   5.700   3.821
    6    H    CYS   2           H        CYS   2  -1.165   3.685   3.904
    7    HA   CYS   2           HA       CYS   2   0.304   1.319   4.319
    8    HB2  CYS   2           HB2      CYS   2  -2.103   1.440   4.721
    9    HB3  CYS   2           HB1      CYS   2  -2.396   1.708   3.002
   10    H    ABA   3           H        ABA   3  -1.024   2.712   1.347
   11    HA   ABA   3           HA       ABA   3  -0.413   0.868  -0.534
   12    HB3  ABA   3           HB1      ABA   3  -0.065   2.670  -2.119
   13    HB2  ABA   3           HB2      ABA   3   0.238   3.804  -0.798
   14    HG1  ABA   3           HG       ABA   3  -2.333   2.638  -0.277
   15    H    SER   4           H        SER   4   1.880   2.747   1.309
   16    HA   SER   4           HA       SER   4   4.167   2.403  -0.296
   17    HB2  SER   4           HB2      SER   4   4.084   3.980   1.585
   18    HB3  SER   4           HB1      SER   4   3.971   2.633   2.715
   19    HG   SER   4           HG       SER   4   6.034   2.259   2.472
   20    H    ASP   5           H        ASP   5   2.829   0.425   2.333
   21    HA   ASP   5           HA       ASP   5   4.920  -1.471   2.315
   22    HB2  ASP   5           HB2      ASP   5   2.084  -1.654   3.326
   23    HB3  ASP   5           HB1      ASP   5   3.312  -2.888   3.609
   24    HA   PRO   6           HA       PRO   6   3.826  -3.861  -1.288
   25    HB2  PRO   6           HB2      PRO   6   5.059  -6.228  -0.640
   26    HB3  PRO   6           HB1      PRO   6   5.931  -4.790  -1.212
   27    HG2  PRO   6           HG2      PRO   6   5.603  -5.839   1.554
   28    HG3  PRO   6           HG1      PRO   6   7.010  -5.081   0.791
   29    HD2  PRO   6           HD2      PRO   6   5.346  -3.758   2.505
   30    HD3  PRO   6           HD1      PRO   6   6.269  -2.951   1.212
   31    H    ARG   7           H        ARG   7   3.094  -5.003   1.937
   32    HA   ARG   7           HA       ARG   7   1.252  -7.044   0.957
   33    HB2  ARG   7           HB2      ARG   7   2.077  -6.200   3.740
   34    HB3  ARG   7           HB1      ARG   7   0.902  -7.473   3.404
   35    HG2  ARG   7           HG2      ARG   7   2.581  -8.719   2.127
   36    HG3  ARG   7           HG1      ARG   7   3.760  -7.432   2.391
   37    HD2  ARG   7           HD2      ARG   7   3.569  -7.791   4.839
   38    HD3  ARG   7           HD1      ARG   7   2.453  -9.120   4.540
   39    HE   ARG   7           HE       ARG   7   5.328  -9.143   4.122
   40   HH11  ARG   7          1HH2      ARG   7   2.246 -10.580   3.493
   41   HH12  ARG   7          2HH2      ARG   7   2.896 -12.135   3.094
   42   HH21  ARG   7          1HH1      ARG   7   6.191 -11.181   3.603
   43   HH22  ARG   7          2HH1      ARG   7   5.130 -12.476   3.157
   44    H    CYS   8           H        CYS   8   1.036  -3.845   1.070
   45    HA   CYS   8           HA       CYS   8  -1.215  -3.188   2.606
   46    HB2  CYS   8           HB2      CYS   8   0.334  -1.586   1.410
   47    HB3  CYS   8           HB1      CYS   8  -0.528  -1.985  -0.077
   48    H    ARG   9           H        ARG   9  -3.365  -3.311   2.279
   49    HA   ARG   9           HA       ARG   9  -4.420  -5.293   0.584
   50    HB2  ARG   9           HB2      ARG   9  -5.751  -3.013   2.063
   51    HB3  ARG   9           HB1      ARG   9  -6.644  -4.271   1.207
   52    HG2  ARG   9           HG2      ARG   9  -4.537  -5.105   3.164
   53    HG3  ARG   9           HG1      ARG   9  -6.087  -4.539   3.789
   54    HD2  ARG   9           HD2      ARG   9  -7.261  -6.201   2.396
   55    HD3  ARG   9           HD1      ARG   9  -5.721  -6.765   1.760
   56    HE   ARG   9           HE       ARG   9  -5.334  -7.877   3.775
   57   HH11  ARG   9          1HH2      ARG   9  -8.037  -5.726   3.981
   58   HH12  ARG   9          2HH2      ARG   9  -8.574  -6.326   5.514
   59   HH21  ARG   9          1HH1      ARG   9  -6.034  -8.670   5.786
   60   HH22  ARG   9          2HH1      ARG   9  -7.441  -7.993   6.535
   61    H    TYR  10           H        TYR  10  -4.170  -1.784   0.223
   62    HA   TYR  10           HA       TYR  10  -5.018  -2.082  -2.597
   63    HB2  TYR  10           HB2      TYR  10  -6.086   0.125  -2.456
   64    HB3  TYR  10           HB1      TYR  10  -6.810  -1.000  -1.307
   65    HD1  TYR  10           HD1      TYR  10  -6.245  -0.866   1.111
   66    HD2  TYR  10           HD2      TYR  10  -4.816   2.037  -1.714
   67    HE1  TYR  10           HE1      TYR  10  -5.678   0.669   2.975
   68    HE2  TYR  10           HE2      TYR  10  -4.249   3.572   0.151
   69    HH   TYR  10           HH       TYR  10  -4.062   3.777   2.368
   70    H    ARG  11           H        ARG  11  -4.046  -0.631  -4.092
   71    HA   ARG  11           HA       ARG  11  -1.403   0.297  -3.213
   72    HB2  ARG  11           HB2      ARG  11  -2.568  -0.626  -5.792
   73    HB3  ARG  11           HB1      ARG  11  -1.301   0.599  -5.878
   74    HG2  ARG  11           HG2      ARG  11  -0.290  -1.635  -5.972
   75    HG3  ARG  11           HG1      ARG  11   0.155  -0.847  -4.460
   76    HD2  ARG  11           HD2      ARG  11  -1.637  -2.063  -3.288
   77    HD3  ARG  11           HD1      ARG  11  -2.111  -2.833  -4.798
   78    HE   ARG  11           HE       ARG  11  -0.292  -4.269  -4.576
   79   HH11  ARG  11          1HH2      ARG  11  -0.040  -1.570  -2.425
   80   HH12  ARG  11          2HH2      ARG  11   1.314  -2.212  -1.557
   81   HH21  ARG  11          1HH1      ARG  11   1.485  -5.117  -3.442
   82   HH22  ARG  11          2HH1      ARG  11   2.178  -4.220  -2.133
   83    H    ABA  12           H        ABA  12  -0.612   2.378  -3.877
   84    HA   ABA  12           HA       ABA  12  -2.694   4.345  -4.585
   85    HB3  ABA  12           HB1      ABA  12  -1.949   5.874  -2.913
   86    HB2  ABA  12           HB2      ABA  12  -0.551   4.907  -2.551
   87    HG1  ABA  12           HG       ABA  12  -3.414   4.299  -1.719
   88    H    ARG  13           H        ARG  13  -1.994   6.108  -5.796
   89    HA   ARG  13           HA       ARG  13   0.398   5.639  -7.353
   90    HB2  ARG  13           HB2      ARG  13  -1.271   8.131  -7.534
   91    HB3  ARG  13           HB1      ARG  13  -0.414   7.269  -8.815
   92    HG2  ARG  13           HG2      ARG  13  -2.896   6.302  -7.361
   93    HG3  ARG  13           HG1      ARG  13  -2.819   6.869  -9.029
   94    HD2  ARG  13           HD2      ARG  13  -1.144   5.025  -9.477
   95    HD3  ARG  13           HD1      ARG  13  -1.512   4.398  -7.873
   96    HE   ARG  13           HE       ARG  13  -3.905   4.773  -9.375
   97   HH11  ARG  13          1HH2      ARG  13  -1.110   2.761  -9.033
   98   HH12  ARG  13          2HH2      ARG  13  -1.889   1.339  -9.641
   99   HH21  ARG  13          1HH1      ARG  13  -4.933   2.913 -10.174
  100   HH22  ARG  13          2HH1      ARG  13  -4.054   1.425 -10.287
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   2.439   4.941   3.394
    2    H2   GLY   1           HT2      GLY   1   2.928   6.056   4.579
    3    H3   GLY   1           HT3      GLY   1   1.279   5.712   4.360
    4    HA2  GLY   1           HA2      GLY   1   3.341   4.174   5.739
    5    HA3  GLY   1           HA1      GLY   1   1.637   4.387   6.144
    6    H    CYS   2           H        CYS   2   0.062   3.107   5.100
    7    HA   CYS   2           HA       CYS   2   0.846   0.449   4.502
    8    HB2  CYS   2           HB2      CYS   2  -1.428   1.233   5.336
    9    HB3  CYS   2           HB1      CYS   2  -1.752   1.770   3.689
   10    H    ABA   3           H        ABA   3  -0.183   3.165   2.504
   11    HA   ABA   3           HA       ABA   3  -0.253   2.066  -0.006
   12    HB3  ABA   3           HB1      ABA   3   0.874   4.399  -0.632
   13    HB2  ABA   3           HB2      ABA   3   0.498   4.746   1.053
   14    HG1  ABA   3           HG       ABA   3  -1.860   4.639   0.633
   15    H    SER   4           H        SER   4   2.627   3.321   1.657
   16    HA   SER   4           HA       SER   4   4.476   2.728  -0.385
   17    HB2  SER   4           HB2      SER   4   4.847   2.934   2.609
   18    HB3  SER   4           HB1      SER   4   6.173   2.809   1.457
   19    HG   SER   4           HG       SER   4   4.271   4.867   1.798
   20    H    ASP   5           H        ASP   5   3.321   0.810   2.361
   21    HA   ASP   5           HA       ASP   5   5.091  -1.353   1.903
   22    HB2  ASP   5           HB2      ASP   5   2.518  -1.220   3.467
   23    HB3  ASP   5           HB1      ASP   5   3.627  -2.595   3.478
   24    HA   PRO   6           HA       PRO   6   2.830  -3.209  -1.526
   25    HB2  PRO   6           HB2      PRO   6   4.076  -5.646  -1.577
   26    HB3  PRO   6           HB1      PRO   6   4.828  -4.156  -2.186
   27    HG2  PRO   6           HG2      PRO   6   5.244  -5.576   0.395
   28    HG3  PRO   6           HG1      PRO   6   6.419  -4.762  -0.653
   29    HD2  PRO   6           HD2      PRO   6   5.414  -3.637   1.625
   30    HD3  PRO   6           HD1      PRO   6   5.993  -2.694   0.232
   31    H    ARG   7           H        ARG   7   2.930  -4.505   1.670
   32    HA   ARG   7           HA       ARG   7   1.179  -6.711   1.280
   33    HB2  ARG   7           HB2      ARG   7   1.927  -5.128   3.749
   34    HB3  ARG   7           HB1      ARG   7   0.927  -6.579   3.781
   35    HG2  ARG   7           HG2      ARG   7   3.544  -6.713   2.343
   36    HG3  ARG   7           HG1      ARG   7   3.566  -6.733   4.107
   37    HD2  ARG   7           HD2      ARG   7   1.926  -8.610   2.373
   38    HD3  ARG   7           HD1      ARG   7   3.461  -9.024   3.128
   39    HE   ARG   7           HE       ARG   7   1.821  -8.096   5.168
   40   HH11  ARG   7          1HH2      ARG   7   1.838 -10.617   2.798
   41   HH12  ARG   7          2HH2      ARG   7   0.930 -11.727   3.769
   42   HH21  ARG   7          1HH1      ARG   7   0.629  -9.546   6.449
   43   HH22  ARG   7          2HH1      ARG   7   0.246 -11.120   5.836
   44    H    CYS   8           H        CYS   8   0.684  -3.320   1.412
   45    HA   CYS   8           HA       CYS   8  -1.771  -2.985   2.614
   46    HB2  CYS   8           HB2      CYS   8  -0.175  -1.388   1.134
   47    HB3  CYS   8           HB1      CYS   8  -1.476  -1.668  -0.027
   48    H    ARG   9           H        ARG   9  -3.903  -3.227   2.049
   49    HA   ARG   9           HA       ARG   9  -4.603  -5.470   0.504
   50    HB2  ARG   9           HB2      ARG   9  -6.251  -3.169   1.560
   51    HB3  ARG   9           HB1      ARG   9  -6.953  -4.567   0.744
   52    HG2  ARG   9           HG2      ARG   9  -5.983  -6.070   2.414
   53    HG3  ARG   9           HG1      ARG   9  -5.193  -4.707   3.208
   54    HD2  ARG   9           HD2      ARG   9  -7.377  -3.710   3.711
   55    HD3  ARG   9           HD1      ARG   9  -8.189  -5.027   2.871
   56    HE   ARG   9           HE       ARG   9  -7.789  -6.396   4.718
   57   HH11  ARG   9          1HH2      ARG   9  -5.981  -3.452   4.890
   58   HH12  ARG   9          2HH2      ARG   9  -5.472  -3.697   6.528
   59   HH21  ARG   9          1HH1      ARG   9  -7.128  -6.725   6.866
   60   HH22  ARG   9          2HH1      ARG   9  -6.122  -5.550   7.646
   61    H    TYR  10           H        TYR  10  -4.525  -2.028  -0.257
   62    HA   TYR  10           HA       TYR  10  -5.048  -2.720  -3.088
   63    HB2  TYR  10           HB2      TYR  10  -6.238  -0.605  -3.334
   64    HB3  TYR  10           HB1      TYR  10  -7.003  -1.583  -2.080
   65    HD1  TYR  10           HD1      TYR  10  -6.637  -1.056   0.323
   66    HD2  TYR  10           HD2      TYR  10  -5.110   1.465  -2.801
   67    HE1  TYR  10           HE1      TYR  10  -6.297   0.772   1.963
   68    HE2  TYR  10           HE2      TYR  10  -4.767   3.291  -1.162
   69    HH   TYR  10           HH       TYR  10  -5.579   2.841   2.285
   70    H    ARG  11           H        ARG  11  -3.959  -1.472  -4.638
   71    HA   ARG  11           HA       ARG  11  -1.354  -0.597  -3.827
   72    HB2  ARG  11           HB2      ARG  11  -2.803  -0.540  -6.480
   73    HB3  ARG  11           HB1      ARG  11  -1.145   0.022  -6.269
   74    HG2  ARG  11           HG2      ARG  11  -0.545  -2.219  -5.344
   75    HG3  ARG  11           HG1      ARG  11  -2.184  -2.769  -5.700
   76    HD2  ARG  11           HD2      ARG  11  -0.286  -1.636  -7.767
   77    HD3  ARG  11           HD1      ARG  11  -0.516  -3.349  -7.484
   78    HE   ARG  11           HE       ARG  11  -2.741  -3.168  -8.349
   79   HH11  ARG  11          1HH2      ARG  11  -0.940  -0.209  -8.422
   80   HH12  ARG  11          2HH2      ARG  11  -1.986   0.554  -9.564
   81   HH21  ARG  11          1HH1      ARG  11  -4.115  -2.165  -9.847
   82   HH22  ARG  11          2HH1      ARG  11  -3.784  -0.547 -10.370
   83    H    ABA  12           H        ABA  12  -0.534   1.454  -3.710
   84    HA   ABA  12           HA       ABA  12  -2.523   3.608  -3.603
   85    HB3  ABA  12           HB1      ABA  12  -0.052   4.593  -2.746
   86    HB2  ABA  12           HB2      ABA  12  -0.100   2.940  -2.147
   87    HG1  ABA  12           HG       ABA  12  -2.661   4.347  -1.625
   88    H    ARG  13           H        ARG  13  -1.707   5.797  -4.313
   89    HA   ARG  13           HA       ARG  13  -0.822   5.584  -7.056
   90    HB2  ARG  13           HB2      ARG  13  -2.504   7.299  -5.786
   91    HB3  ARG  13           HB1      ARG  13  -1.028   8.266  -5.823
   92    HG2  ARG  13           HG2      ARG  13  -2.314   6.933  -8.228
   93    HG3  ARG  13           HG1      ARG  13  -2.390   8.651  -7.841
   94    HD2  ARG  13           HD2      ARG  13   0.220   8.497  -7.789
   95    HD3  ARG  13           HD1      ARG  13  -0.022   7.025  -8.723
   96    HE   ARG  13           HE       ARG  13  -1.532   9.092  -9.905
   97   HH11  ARG  13          1HH2      ARG  13   1.741   8.133  -9.313
   98   HH12  ARG  13          2HH2      ARG  13   2.371   8.916 -10.724
   99   HH21  ARG  13          1HH1      ARG  13  -0.713  10.121 -11.757
  100   HH22  ARG  13          2HH1      ARG  13   0.982  10.042 -12.107
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  -0.777   4.423   4.541
    2    H2   GLY   1           HT2      GLY   1  -0.476   5.701   5.619
    3    H3   GLY   1           HT3      GLY   1  -0.962   4.185   6.210
    4    HA2  GLY   1           HA2      GLY   1   1.648   5.008   5.124
    5    HA3  GLY   1           HA1      GLY   1   1.291   4.135   6.615
    6    H    CYS   2           H        CYS   2  -0.754   2.565   4.920
    7    HA   CYS   2           HA       CYS   2   0.864   0.284   4.461
    8    HB2  CYS   2           HB2      CYS   2  -1.108  -0.778   3.738
    9    HB3  CYS   2           HB1      CYS   2  -1.689   0.436   4.872
   10    H    ABA   3           H        ABA   3  -0.261   2.902   2.423
   11    HA   ABA   3           HA       ABA   3   0.170   1.867  -0.105
   12    HB3  ABA   3           HB1      ABA   3   0.817   4.326  -0.656
   13    HB2  ABA   3           HB2      ABA   3   0.448   4.645   1.022
   14    HG1  ABA   3           HG       ABA   3  -1.906   4.162   0.659
   15    H    SER   4           H        SER   4   2.484   2.982   2.265
   16    HA   SER   4           HA       SER   4   4.738   3.250   0.598
   17    HB2  SER   4           HB2      SER   4   4.524   2.486   3.516
   18    HB3  SER   4           HB1      SER   4   6.040   2.864   2.703
   19    HG   SER   4           HG       SER   4   5.538   4.848   3.175
   20    H    ASP   5           H        ASP   5   3.353   0.449   2.264
   21    HA   ASP   5           HA       ASP   5   5.365  -1.255   0.971
   22    HB2  ASP   5           HB2      ASP   5   3.612  -1.730   3.383
   23    HB3  ASP   5           HB1      ASP   5   4.620  -2.972   2.648
   24    HA   PRO   6           HA       PRO   6   2.258  -2.920  -1.736
   25    HB2  PRO   6           HB2      PRO   6   3.304  -5.425  -2.172
   26    HB3  PRO   6           HB1      PRO   6   3.923  -3.948  -2.939
   27    HG2  PRO   6           HG2      PRO   6   4.980  -5.466  -0.610
   28    HG3  PRO   6           HG1      PRO   6   5.851  -4.633  -1.909
   29    HD2  PRO   6           HD2      PRO   6   5.551  -3.582   0.592
   30    HD3  PRO   6           HD1      PRO   6   5.730  -2.586  -0.870
   31    H    ARG   7           H        ARG   7   2.907  -4.191   1.346
   32    HA   ARG   7           HA       ARG   7   1.225  -6.456   1.389
   33    HB2  ARG   7           HB2      ARG   7   2.154  -4.572   3.563
   34    HB3  ARG   7           HB1      ARG   7   1.184  -6.010   3.888
   35    HG2  ARG   7           HG2      ARG   7   3.636  -6.319   2.203
   36    HG3  ARG   7           HG1      ARG   7   3.843  -6.117   3.943
   37    HD2  ARG   7           HD2      ARG   7   2.035  -8.188   2.661
   38    HD3  ARG   7           HD1      ARG   7   3.661  -8.516   3.249
   39    HE   ARG   7           HE       ARG   7   2.296  -7.350   5.368
   40   HH11  ARG   7          1HH2      ARG   7   2.012 -10.125   3.320
   41   HH12  ARG   7          2HH2      ARG   7   1.248 -11.107   4.524
   42   HH21  ARG   7          1HH1      ARG   7   1.295  -8.634   6.953
   43   HH22  ARG   7          2HH1      ARG   7   0.842 -10.263   6.581
   44    H    CYS   8           H        CYS   8   0.570  -3.055   1.426
   45    HA   CYS   8           HA       CYS   8  -1.832  -2.820   2.751
   46    HB2  CYS   8           HB2      CYS   8  -0.551  -1.003   1.524
   47    HB3  CYS   8           HB1      CYS   8  -1.325  -1.574   0.049
   48    H    ARG   9           H        ARG   9  -4.021  -3.009   2.155
   49    HA   ARG   9           HA       ARG   9  -4.729  -5.354   0.773
   50    HB2  ARG   9           HB2      ARG   9  -6.361  -2.943   1.588
   51    HB3  ARG   9           HB1      ARG   9  -7.066  -4.398   0.885
   52    HG2  ARG   9           HG2      ARG   9  -6.191  -5.759   2.706
   53    HG3  ARG   9           HG1      ARG   9  -5.347  -4.365   3.382
   54    HD2  ARG   9           HD2      ARG   9  -7.452  -4.764   4.588
   55    HD3  ARG   9           HD1      ARG   9  -7.511  -3.226   3.731
   56    HE   ARG   9           HE       ARG   9  -9.161  -4.113   2.338
   57   HH11  ARG   9          1HH2      ARG   9  -7.643  -6.565   4.250
   58   HH12  ARG   9          2HH2      ARG   9  -8.788  -7.794   3.832
   59   HH21  ARG   9          1HH1      ARG   9 -10.668  -5.720   1.785
   60   HH22  ARG   9          2HH1      ARG   9 -10.501  -7.317   2.436
   61    H    TYR  10           H        TYR  10  -4.564  -1.983  -0.258
   62    HA   TYR  10           HA       TYR  10  -5.023  -2.886  -3.041
   63    HB2  TYR  10           HB2      TYR  10  -6.223  -0.835  -3.506
   64    HB3  TYR  10           HB1      TYR  10  -6.989  -1.642  -2.137
   65    HD1  TYR  10           HD2      TYR  10  -6.520  -0.853   0.200
   66    HD2  TYR  10           HD1      TYR  10  -5.178   1.305  -3.264
   67    HE1  TYR  10           HE2      TYR  10  -6.150   1.162   1.598
   68    HE2  TYR  10           HE1      TYR  10  -4.809   3.320  -1.865
   69    HH   TYR  10           HH       TYR  10  -4.317   3.712   0.696
   70    H    ARG  11           H        ARG  11  -3.936  -1.657  -4.671
   71    HA   ARG  11           HA       ARG  11  -1.312  -0.819  -3.876
   72    HB2  ARG  11           HB2      ARG  11  -1.736  -2.006  -6.005
   73    HB3  ARG  11           HB1      ARG  11  -2.665  -0.620  -6.577
   74    HG2  ARG  11           HG2      ARG  11  -0.699   0.816  -6.411
   75    HG3  ARG  11           HG1      ARG  11   0.241  -0.508  -5.723
   76    HD2  ARG  11           HD2      ARG  11  -0.032  -1.801  -7.791
   77    HD3  ARG  11           HD1      ARG  11  -1.019  -0.515  -8.480
   78    HE   ARG  11           HE       ARG  11   1.426   0.620  -7.718
   79   HH11  ARG  11          1HH2      ARG  11   0.171  -1.752  -9.903
   80   HH12  ARG  11          2HH2      ARG  11   1.407  -1.511 -11.092
   81   HH21  ARG  11          1HH1      ARG  11   3.050   0.941  -9.274
   82   HH22  ARG  11          2HH1      ARG  11   3.037   0.013 -10.736
   83    H    ABA  12           H        ABA  12  -0.532   1.192  -3.600
   84    HA   ABA  12           HA       ABA  12  -2.444   3.410  -3.694
   85    HB3  ABA  12           HB1      ABA  12  -0.133   4.474  -2.716
   86    HB2  ABA  12           HB2      ABA  12   0.018   2.790  -2.211
   87    HG1  ABA  12           HG       ABA  12  -2.686   3.818  -1.627
   88    H    ARG  13           H        ARG  13  -1.093   5.598  -4.178
   89    HA   ARG  13           HA       ARG  13  -0.349   5.344  -6.986
   90    HB2  ARG  13           HB2      ARG  13  -0.365   7.936  -5.471
   91    HB3  ARG  13           HB1      ARG  13  -0.758   7.630  -7.165
   92    HG2  ARG  13           HG2      ARG  13  -2.426   6.811  -4.769
   93    HG3  ARG  13           HG1      ARG  13  -2.819   8.082  -5.925
   94    HD2  ARG  13           HD2      ARG  13  -2.618   5.110  -6.478
   95    HD3  ARG  13           HD1      ARG  13  -4.067   6.105  -6.547
   96    HE   ARG  13           HE       ARG  13  -2.281   7.248  -8.336
   97   HH11  ARG  13          1HH2      ARG  13  -3.829   4.194  -7.834
   98   HH12  ARG  13          2HH2      ARG  13  -3.873   3.784  -9.516
   99   HH21  ARG  13          1HH1      ARG  13  -2.335   6.718 -10.543
  100   HH22  ARG  13          2HH1      ARG  13  -3.027   5.212 -11.050
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1   0.932   4.342   6.944
    2    H2   GLY   1           HT2      GLY   1   0.226   4.537   5.410
    3    H3   GLY   1           HT3      GLY   1   1.139   5.796   6.094
    4    HA2  GLY   1           HA2      GLY   1   2.651   4.916   4.630
    5    HA3  GLY   1           HA1      GLY   1   3.037   4.053   6.119
    6    H    CYS   2           H        CYS   2   0.002   3.129   5.079
    7    HA   CYS   2           HA       CYS   2   0.776   0.470   4.509
    8    HB2  CYS   2           HB2      CYS   2  -1.508   1.264   5.292
    9    HB3  CYS   2           HB1      CYS   2  -1.793   1.799   3.637
   10    H    ABA   3           H        ABA   3  -0.192   3.178   2.455
   11    HA   ABA   3           HA       ABA   3  -0.204   2.021  -0.037
   12    HB3  ABA   3           HB1      ABA   3   0.887   4.370  -0.680
   13    HB2  ABA   3           HB2      ABA   3   0.489   4.730   0.996
   14    HG1  ABA   3           HG       ABA   3  -1.858   4.565   0.574
   15    H    SER   4           H        SER   4   2.593   3.274   1.742
   16    HA   SER   4           HA       SER   4   4.529   2.757  -0.232
   17    HB2  SER   4           HB2      SER   4   4.980   4.174   1.721
   18    HB3  SER   4           HB1      SER   4   4.827   2.778   2.782
   19    HG   SER   4           HG       SER   4   6.629   1.884   1.824
   20    H    ASP   5           H        ASP   5   3.322   0.759   2.452
   21    HA   ASP   5           HA       ASP   5   5.112  -1.394   1.934
   22    HB2  ASP   5           HB2      ASP   5   2.522  -1.320   3.488
   23    HB3  ASP   5           HB1      ASP   5   3.654  -2.676   3.475
   24    HA   PRO   6           HA       PRO   6   2.856  -3.116  -1.539
   25    HB2  PRO   6           HB2      PRO   6   4.065  -5.561  -1.671
   26    HB3  PRO   6           HB1      PRO   6   4.830  -4.062  -2.237
   27    HG2  PRO   6           HG2      PRO   6   5.249  -5.561   0.298
   28    HG3  PRO   6           HG1      PRO   6   6.422  -4.725  -0.733
   29    HD2  PRO   6           HD2      PRO   6   5.432  -3.656   1.595
   30    HD3  PRO   6           HD1      PRO   6   6.014  -2.673   0.232
   31    H    ARG   7           H        ARG   7   2.944  -4.530   1.605
   32    HA   ARG   7           HA       ARG   7   1.159  -6.707   1.144
   33    HB2  ARG   7           HB2      ARG   7   1.940  -5.216   3.657
   34    HB3  ARG   7           HB1      ARG   7   0.901  -6.641   3.648
   35    HG2  ARG   7           HG2      ARG   7   2.676  -7.954   2.572
   36    HG3  ARG   7           HG1      ARG   7   3.717  -6.531   2.529
   37    HD2  ARG   7           HD2      ARG   7   3.670  -6.412   4.986
   38    HD3  ARG   7           HD1      ARG   7   2.611  -7.818   5.043
   39    HE   ARG   7           HE       ARG   7   4.924  -8.510   3.592
   40   HH11  ARG   7          1HH2      ARG   7   3.917  -7.608   6.778
   41   HH12  ARG   7          2HH2      ARG   7   5.164  -8.507   7.577
   42   HH21  ARG   7          1HH1      ARG   7   6.562  -9.692   4.632
   43   HH22  ARG   7          2HH1      ARG   7   6.661  -9.687   6.362
   44    H    CYS   8           H        CYS   8   0.708  -3.316   1.396
   45    HA   CYS   8           HA       CYS   8  -1.716  -2.966   2.612
   46    HB2  CYS   8           HB2      CYS   8  -0.146  -1.366   1.145
   47    HB3  CYS   8           HB1      CYS   8  -1.409  -1.665  -0.049
   48    H    ARG   9           H        ARG   9  -3.862  -3.184   2.096
   49    HA   ARG   9           HA       ARG   9  -4.626  -5.426   0.587
   50    HB2  ARG   9           HB2      ARG   9  -6.201  -3.075   1.645
   51    HB3  ARG   9           HB1      ARG   9  -6.955  -4.447   0.836
   52    HG2  ARG   9           HG2      ARG   9  -5.040  -5.014   3.059
   53    HG3  ARG   9           HG1      ARG   9  -6.645  -4.416   3.481
   54    HD2  ARG   9           HD2      ARG   9  -6.135  -6.800   1.675
   55    HD3  ARG   9           HD1      ARG   9  -6.510  -6.917   3.392
   56    HE   ARG   9           HE       ARG   9  -8.520  -5.364   2.264
   57   HH11  ARG   9          1HH2      ARG   9  -7.200  -8.544   1.921
   58   HH12  ARG   9          2HH2      ARG   9  -8.697  -9.262   1.428
   59   HH21  ARG   9          1HH1      ARG   9 -10.486  -6.298   1.617
   60   HH22  ARG   9          2HH1      ARG   9 -10.557  -7.990   1.255
   61    H    TYR  10           H        TYR  10  -4.542  -1.991  -0.227
   62    HA   TYR  10           HA       TYR  10  -5.093  -2.725  -3.041
   63    HB2  TYR  10           HB2      TYR  10  -6.300  -0.636  -3.313
   64    HB3  TYR  10           HB1      TYR  10  -7.023  -1.555  -1.994
   65    HD1  TYR  10           HD2      TYR  10  -6.531  -0.945   0.379
   66    HD2  TYR  10           HD1      TYR  10  -5.205   1.468  -2.918
   67    HE1  TYR  10           HE2      TYR  10  -6.129   0.950   1.926
   68    HE2  TYR  10           HE1      TYR  10  -4.800   3.362  -1.369
   69    HH   TYR  10           HH       TYR  10  -5.121   4.130   0.715
   70    H    ARG  11           H        ARG  11  -4.021  -1.491  -4.623
   71    HA   ARG  11           HA       ARG  11  -1.391  -0.640  -3.862
   72    HB2  ARG  11           HB2      ARG  11  -2.867  -0.541  -6.500
   73    HB3  ARG  11           HB1      ARG  11  -1.177  -0.080  -6.297
   74    HG2  ARG  11           HG2      ARG  11  -0.679  -2.342  -5.411
   75    HG3  ARG  11           HG1      ARG  11  -2.363  -2.800  -5.671
   76    HD2  ARG  11           HD2      ARG  11  -2.122  -2.350  -8.081
   77    HD3  ARG  11           HD1      ARG  11  -0.443  -1.878  -7.828
   78    HE   ARG  11           HE       ARG  11   0.118  -4.134  -7.618
   79   HH11  ARG  11          1HH2      ARG  11  -3.308  -3.647  -7.546
   80   HH12  ARG  11          2HH2      ARG  11  -3.689  -5.331  -7.676
   81   HH21  ARG  11          1HH1      ARG  11  -0.375  -6.346  -7.790
   82   HH22  ARG  11          2HH1      ARG  11  -2.030  -6.859  -7.814
   83    H    ABA  12           H        ABA  12  -0.545   1.397  -3.757
   84    HA   ABA  12           HA       ABA  12  -2.498   3.595  -3.675
   85    HB3  ABA  12           HB1      ABA  12  -0.047   4.558  -2.789
   86    HB2  ABA  12           HB2      ABA  12  -0.080   2.897  -2.203
   87    HG1  ABA  12           HG       ABA  12  -2.650   4.271  -1.678
   88    H    ARG  13           H        ARG  13  -0.708   2.252  -5.968
   89    HA   ARG  13           HA       ARG  13   0.432   4.746  -7.026
   90    HB2  ARG  13           HB2      ARG  13   1.061   1.904  -7.287
   91    HB3  ARG  13           HB1      ARG  13   0.998   2.721  -8.841
   92    HG2  ARG  13           HG2      ARG  13   2.520   3.910  -6.530
   93    HG3  ARG  13           HG1      ARG  13   3.237   2.687  -7.575
   94    HD2  ARG  13           HD2      ARG  13   2.712   4.111  -9.551
   95    HD3  ARG  13           HD1      ARG  13   2.123   5.360  -8.460
   96    HE   ARG  13           HE       ARG  13   4.898   4.578  -8.879
   97   HH11  ARG  13          1HH2      ARG  13   2.552   6.295  -7.003
   98   HH12  ARG  13          2HH2      ARG  13   3.705   7.378  -6.301
   99   HH21  ARG  13          1HH1      ARG  13   6.416   6.002  -7.967
  100   HH22  ARG  13          2HH1      ARG  13   5.891   7.212  -6.844
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   1.900   5.244   5.464
    2    H2   GLY   1           HT2      GLY   1   0.512   6.143   5.854
    3    H3   GLY   1           HT3      GLY   1   1.781   6.865   4.984
    4    HA2  GLY   1           HA2      GLY   1  -0.436   5.818   3.874
    5    HA3  GLY   1           HA1      GLY   1   1.095   6.060   3.031
    6    H    CYS   2           H        CYS   2  -1.190   3.779   4.021
    7    HA   CYS   2           HA       CYS   2   0.366   1.466   4.406
    8    HB2  CYS   2           HB2      CYS   2  -2.030   1.558   4.929
    9    HB3  CYS   2           HB1      CYS   2  -2.405   1.722   3.215
   10    H    ABA   3           H        ABA   3  -1.086   2.821   1.452
   11    HA   ABA   3           HA       ABA   3  -0.556   0.951  -0.436
   12    HB3  ABA   3           HB1      ABA   3  -0.019   2.892  -1.991
   13    HB2  ABA   3           HB2      ABA   3  -0.152   3.938  -0.575
   14    HG1  ABA   3           HG       ABA   3  -2.527   2.364  -0.537
   15    H    SER   4           H        SER   4   1.813   2.812   1.323
   16    HA   SER   4           HA       SER   4   4.025   2.472  -0.391
   17    HB2  SER   4           HB2      SER   4   3.914   2.752   2.619
   18    HB3  SER   4           HB1      SER   4   5.384   2.865   1.657
   19    HG   SER   4           HG       SER   4   3.618   4.761   2.172
   20    H    ASP   5           H        ASP   5   2.729   0.446   2.217
   21    HA   ASP   5           HA       ASP   5   4.855  -1.423   2.182
   22    HB2  ASP   5           HB2      ASP   5   2.022  -1.624   3.204
   23    HB3  ASP   5           HB1      ASP   5   3.243  -2.873   3.450
   24    HA   PRO   6           HA       PRO   6   3.663  -3.722  -1.464
   25    HB2  PRO   6           HB2      PRO   6   5.016  -6.059  -1.008
   26    HB3  PRO   6           HB1      PRO   6   5.809  -4.561  -1.537
   27    HG2  PRO   6           HG2      PRO   6   5.658  -5.766   1.179
   28    HG3  PRO   6           HG1      PRO   6   6.998  -4.929   0.381
   29    HD2  PRO   6           HD2      PRO   6   5.380  -3.734   2.251
   30    HD3  PRO   6           HD1      PRO   6   6.227  -2.841   0.966
   31    H    ARG   7           H        ARG   7   3.016  -4.843   1.748
   32    HA   ARG   7           HA       ARG   7   1.238  -6.989   0.810
   33    HB2  ARG   7           HB2      ARG   7   1.854  -6.196   3.660
   34    HB3  ARG   7           HB1      ARG   7   1.154  -7.710   3.092
   35    HG2  ARG   7           HG2      ARG   7   3.955  -6.730   2.475
   36    HG3  ARG   7           HG1      ARG   7   3.549  -7.983   3.644
   37    HD2  ARG   7           HD2      ARG   7   3.202  -8.087   0.638
   38    HD3  ARG   7           HD1      ARG   7   4.224  -9.103   1.642
   39    HE   ARG   7           HE       ARG   7   1.357  -9.384   1.266
   40   HH11  ARG   7          1HH2      ARG   7   4.160 -10.120   3.157
   41   HH12  ARG   7          2HH2      ARG   7   3.466 -11.531   3.884
   42   HH21  ARG   7          1HH1      ARG   7   0.441 -11.228   2.217
   43   HH22  ARG   7          2HH1      ARG   7   1.361 -12.158   3.352
   44    H    CYS   8           H        CYS   8   0.985  -3.766   1.159
   45    HA   CYS   8           HA       CYS   8  -1.293  -3.320   2.730
   46    HB2  CYS   8           HB2      CYS   8   0.222  -1.569   1.692
   47    HB3  CYS   8           HB1      CYS   8  -0.629  -1.855   0.173
   48    H    ARG   9           H        ARG   9  -3.463  -3.445   2.347
   49    HA   ARG   9           HA       ARG   9  -4.429  -5.360   0.534
   50    HB2  ARG   9           HB2      ARG   9  -5.836  -3.160   2.053
   51    HB3  ARG   9           HB1      ARG   9  -6.686  -4.381   1.104
   52    HG2  ARG   9           HG2      ARG   9  -5.654  -6.165   2.446
   53    HG3  ARG   9           HG1      ARG   9  -4.775  -4.959   3.385
   54    HD2  ARG   9           HD2      ARG   9  -6.908  -3.982   4.138
   55    HD3  ARG   9           HD1      ARG   9  -7.792  -5.182   3.199
   56    HE   ARG   9           HE       ARG   9  -6.400  -5.629   5.717
   57   HH11  ARG   9          1HH2      ARG   9  -7.834  -6.955   2.860
   58   HH12  ARG   9          2HH2      ARG   9  -8.097  -8.520   3.552
   59   HH21  ARG   9          1HH1      ARG   9  -6.745  -7.679   6.632
   60   HH22  ARG   9          2HH1      ARG   9  -7.481  -8.931   5.688
   61    H    TYR  10           H        TYR  10  -4.244  -1.836   0.326
   62    HA   TYR  10           HA       TYR  10  -5.045  -2.026  -2.519
   63    HB2  TYR  10           HB2      TYR  10  -5.949   0.277  -2.263
   64    HB3  TYR  10           HB1      TYR  10  -6.793  -0.901  -1.256
   65    HD1  TYR  10           HD1      TYR  10  -6.327  -1.032   1.181
   66    HD2  TYR  10           HD2      TYR  10  -4.613   2.034  -1.291
   67    HE1  TYR  10           HE1      TYR  10  -5.768   0.288   3.205
   68    HE2  TYR  10           HE2      TYR  10  -4.052   3.353   0.733
   69    HH   TYR  10           HH       TYR  10  -4.299   3.519   2.944
   70    H    ARG  11           H        ARG  11  -3.943  -0.730  -3.989
   71    HA   ARG  11           HA       ARG  11  -1.306   0.182  -3.054
   72    HB2  ARG  11           HB2      ARG  11  -2.326  -0.515  -5.816
   73    HB3  ARG  11           HB1      ARG  11  -0.704   0.085  -5.475
   74    HG2  ARG  11           HG2      ARG  11  -0.331  -1.844  -3.954
   75    HG3  ARG  11           HG1      ARG  11  -1.931  -2.461  -4.375
   76    HD2  ARG  11           HD2      ARG  11   0.303  -1.952  -6.359
   77    HD3  ARG  11           HD1      ARG  11  -0.125  -3.528  -5.710
   78    HE   ARG  11           HE       ARG  11  -2.171  -3.449  -6.921
   79   HH11  ARG  11          1HH2      ARG  11  -0.128  -0.702  -7.447
   80   HH12  ARG  11          2HH2      ARG  11  -0.940  -0.214  -8.895
   81   HH21  ARG  11          1HH1      ARG  11  -3.231  -2.811  -8.815
   82   HH22  ARG  11          2HH1      ARG  11  -2.695  -1.403  -9.668
   83    H    ABA  12           H        ABA  12  -0.473   2.191  -3.651
   84    HA   ABA  12           HA       ABA  12  -2.269   4.106  -4.948
   85    HB3  ABA  12           HB1      ABA  12  -2.411   5.559  -3.193
   86    HB2  ABA  12           HB2      ABA  12  -0.898   5.041  -2.477
   87    HG1  ABA  12           HG       ABA  12  -3.627   3.793  -2.120
   88    H    ARG  13           H        ARG  13  -1.206   5.913  -5.831
   89    HA   ARG  13           HA       ARG  13   1.579   5.427  -6.503
   90    HB2  ARG  13           HB2      ARG  13  -0.170   7.751  -7.331
   91    HB3  ARG  13           HB1      ARG  13   1.315   7.208  -8.102
   92    HG2  ARG  13           HG2      ARG  13  -1.156   5.481  -7.886
   93    HG3  ARG  13           HG1      ARG  13  -0.817   6.526  -9.262
   94    HD2  ARG  13           HD2      ARG  13   1.387   5.342  -9.528
   95    HD3  ARG  13           HD1      ARG  13   0.863   4.211  -8.284
   96    HE   ARG  13           HE       ARG  13  -0.160   4.394 -10.997
   97   HH11  ARG  13          1HH2      ARG  13  -0.530   3.198  -7.773
   98   HH12  ARG  13          2HH2      ARG  13  -1.560   1.883  -8.232
   99   HH21  ARG  13          1HH1      ARG  13  -1.499   2.664 -11.610
  100   HH22  ARG  13          2HH1      ARG  13  -2.109   1.581 -10.404
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   0.777   4.709   3.848
    2    H2   GLY   1           HT2      GLY   1   2.221   5.517   4.237
    3    H3   GLY   1           HT3      GLY   1   0.839   5.725   5.205
    4    HA2  GLY   1           HA2      GLY   1   2.810   4.049   5.813
    5    HA3  GLY   1           HA1      GLY   1   1.137   3.811   6.322
    6    H    CYS   2           H        CYS   2  -0.249   2.482   4.967
    7    HA   CYS   2           HA       CYS   2   1.015   0.076   4.151
    8    HB2  CYS   2           HB2      CYS   2  -1.118  -0.753   3.898
    9    HB3  CYS   2           HB1      CYS   2  -1.492   0.655   4.887
   10    H    ABA   3           H        ABA   3  -0.301   2.859   2.435
   11    HA   ABA   3           HA       ABA   3  -0.296   2.086  -0.164
   12    HB3  ABA   3           HB1      ABA   3   0.807   4.526  -0.483
   13    HB2  ABA   3           HB2      ABA   3   0.357   4.646   1.208
   14    HG1  ABA   3           HG       ABA   3  -1.982   4.559   0.652
   15    H    SER   4           H        SER   4   2.558   3.244   1.623
   16    HA   SER   4           HA       SER   4   4.385   2.819  -0.506
   17    HB2  SER   4           HB2      SER   4   6.120   3.125   1.183
   18    HB3  SER   4           HB1      SER   4   4.841   4.313   1.415
   19    HG   SER   4           HG       SER   4   3.980   2.943   3.030
   20    H    ASP   5           H        ASP   5   3.312   0.816   2.202
   21    HA   ASP   5           HA       ASP   5   5.171  -1.287   1.584
   22    HB2  ASP   5           HB2      ASP   5   2.831  -1.211   3.480
   23    HB3  ASP   5           HB1      ASP   5   3.987  -2.535   3.366
   24    HA   PRO   6           HA       PRO   6   2.573  -3.290  -1.468
   25    HB2  PRO   6           HB2      PRO   6   3.811  -5.739  -1.527
   26    HB3  PRO   6           HB1      PRO   6   4.479  -4.288  -2.302
   27    HG2  PRO   6           HG2      PRO   6   5.203  -5.564   0.286
   28    HG3  PRO   6           HG1      PRO   6   6.239  -4.787  -0.923
   29    HD2  PRO   6           HD2      PRO   6   5.468  -3.571   1.404
   30    HD3  PRO   6           HD1      PRO   6   5.878  -2.684  -0.087
   31    H    ARG   7           H        ARG   7   2.877  -4.276   1.784
   32    HA   ARG   7           HA       ARG   7   1.242  -6.599   1.742
   33    HB2  ARG   7           HB2      ARG   7   1.864  -4.659   3.987
   34    HB3  ARG   7           HB1      ARG   7   1.069  -6.219   4.193
   35    HG2  ARG   7           HG2      ARG   7   3.683  -6.128   2.733
   36    HG3  ARG   7           HG1      ARG   7   3.695  -6.007   4.492
   37    HD2  ARG   7           HD2      ARG   7   2.379  -8.101   4.632
   38    HD3  ARG   7           HD1      ARG   7   2.406  -8.230   2.878
   39    HE   ARG   7           HE       ARG   7   5.060  -8.016   3.768
   40   HH11  ARG   7          1HH2      ARG   7   2.336 -10.142   3.958
   41   HH12  ARG   7          2HH2      ARG   7   3.292 -11.579   4.102
   42   HH21  ARG   7          1HH1      ARG   7   6.320  -9.896   3.956
   43   HH22  ARG   7          2HH1      ARG   7   5.548 -11.440   4.101
   44    H    CYS   8           H        CYS   8   0.566  -3.221   1.548
   45    HA   CYS   8           HA       CYS   8  -1.975  -3.046   2.712
   46    HB2  CYS   8           HB2      CYS   8  -0.517  -1.186   1.700
   47    HB3  CYS   8           HB1      CYS   8  -1.244  -1.625   0.158
   48    H    ARG   9           H        ARG   9  -3.998  -3.640   2.095
   49    HA   ARG   9           HA       ARG   9  -4.328  -5.689   0.171
   50    HB2  ARG   9           HB2      ARG   9  -6.696  -5.542   0.678
   51    HB3  ARG   9           HB1      ARG   9  -5.786  -5.361   2.180
   52    HG2  ARG   9           HG2      ARG   9  -5.964  -2.874   1.922
   53    HG3  ARG   9           HG1      ARG   9  -7.012  -3.136   0.527
   54    HD2  ARG   9           HD2      ARG   9  -7.565  -4.177   3.314
   55    HD3  ARG   9           HD1      ARG   9  -8.305  -2.742   2.610
   56    HE   ARG   9           HE       ARG   9  -8.798  -4.795   0.815
   57   HH11  ARG   9          1HH2      ARG   9  -9.410  -4.095   4.149
   58   HH12  ARG   9          2HH2      ARG   9 -10.887  -4.998   4.209
   59   HH21  ARG   9          1HH1      ARG   9 -10.734  -5.980   0.888
   60   HH22  ARG   9          2HH1      ARG   9 -11.637  -6.065   2.364
   61    H    TYR  10           H        TYR  10  -4.043  -2.353  -0.211
   62    HA   TYR  10           HA       TYR  10  -5.090  -2.544  -2.964
   63    HB2  TYR  10           HB2      TYR  10  -6.110  -0.342  -2.794
   64    HB3  TYR  10           HB1      TYR  10  -6.772  -1.388  -1.537
   65    HD1  TYR  10           HD1      TYR  10  -4.275   1.291  -2.201
   66    HD2  TYR  10           HD2      TYR  10  -6.474  -0.888   0.775
   67    HE1  TYR  10           HE1      TYR  10  -3.516   2.891  -0.466
   68    HE2  TYR  10           HE2      TYR  10  -5.714   0.711   2.511
   69    HH   TYR  10           HH       TYR  10  -4.914   3.095   2.585
   70    H    ARG  11           H        ARG  11  -4.164  -0.969  -4.433
   71    HA   ARG  11           HA       ARG  11  -1.380  -0.392  -3.750
   72    HB2  ARG  11           HB2      ARG  11  -2.874  -0.175  -6.376
   73    HB3  ARG  11           HB1      ARG  11  -1.144   0.095  -6.163
   74    HG2  ARG  11           HG2      ARG  11  -0.836  -2.203  -5.403
   75    HG3  ARG  11           HG1      ARG  11  -2.575  -2.489  -5.482
   76    HD2  ARG  11           HD2      ARG  11  -1.546  -3.396  -7.487
   77    HD3  ARG  11           HD1      ARG  11  -2.500  -1.984  -7.927
   78    HE   ARG  11           HE       ARG  11   0.193  -1.231  -7.392
   79   HH11  ARG  11          1HH2      ARG  11  -1.839  -2.837  -9.687
   80   HH12  ARG  11          2HH2      ARG  11  -0.833  -2.460 -11.047
   81   HH21  ARG  11          1HH1      ARG  11   1.516  -0.733  -9.170
   82   HH22  ARG  11          2HH1      ARG  11   1.065  -1.268 -10.754
   83    H    ABA  12           H        ABA  12  -0.460   1.650  -3.807
   84    HA   ABA  12           HA       ABA  12  -2.385   3.885  -3.712
   85    HB3  ABA  12           HB1      ABA  12  -0.040   4.852  -2.664
   86    HB2  ABA  12           HB2      ABA  12  -0.012   3.165  -2.157
   87    HG1  ABA  12           HG       ABA  12  -2.659   4.443  -1.690
   88    H    ARG  13           H        ARG  13  -0.558   2.515  -5.931
   89    HA   ARG  13           HA       ARG  13   0.719   4.975  -6.925
   90    HB2  ARG  13           HB2      ARG  13   1.124   2.056  -7.387
   91    HB3  ARG  13           HB1      ARG  13   1.495   3.157  -8.717
   92    HG2  ARG  13           HG2      ARG  13   3.489   2.785  -7.318
   93    HG3  ARG  13           HG1      ARG  13   2.966   4.467  -7.230
   94    HD2  ARG  13           HD2      ARG  13   1.936   4.125  -5.095
   95    HD3  ARG  13           HD1      ARG  13   2.104   2.377  -5.224
   96    HE   ARG  13           HE       ARG  13   4.677   3.450  -5.373
   97   HH11  ARG  13          1HH2      ARG  13   2.012   3.317  -3.169
   98   HH12  ARG  13          2HH2      ARG  13   3.003   3.390  -1.751
   99   HH21  ARG  13          1HH1      ARG  13   5.983   3.545  -3.517
  100   HH22  ARG  13          2HH1      ARG  13   5.251   3.520  -1.948
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1   3.103   6.617   3.949
    2    H2   GLY   1           HT2      GLY   1   3.424   5.100   4.646
    3    H3   GLY   1           HT3      GLY   1   2.664   6.313   5.560
    4    HA2  GLY   1           HA2      GLY   1   0.684   5.607   4.921
    5    HA3  GLY   1           HA1      GLY   1   1.145   5.912   3.245
    6    H    CYS   2           H        CYS   2  -0.394   3.675   4.530
    7    HA   CYS   2           HA       CYS   2   1.103   1.302   4.563
    8    HB2  CYS   2           HB2      CYS   2  -1.128   1.341   5.466
    9    HB3  CYS   2           HB1      CYS   2  -1.806   1.776   3.896
   10    H    ABA   3           H        ABA   3  -0.744   2.794   1.914
   11    HA   ABA   3           HA       ABA   3  -0.564   0.968  -0.072
   12    HB3  ABA   3           HB1      ABA   3  -0.218   2.918  -1.650
   13    HB2  ABA   3           HB2      ABA   3  -0.106   3.946  -0.219
   14    HG1  ABA   3           HG       ABA   3  -2.468   2.428   0.196
   15    H    SER   4           H        SER   4   2.101   2.828   1.249
   16    HA   SER   4           HA       SER   4   3.994   2.371  -0.780
   17    HB2  SER   4           HB2      SER   4   4.396   2.761   2.192
   18    HB3  SER   4           HB1      SER   4   5.679   2.817   0.988
   19    HG   SER   4           HG       SER   4   3.449   4.531   1.297
   20    H    ASP   5           H        ASP   5   3.165   0.468   2.109
   21    HA   ASP   5           HA       ASP   5   5.214  -1.475   1.627
   22    HB2  ASP   5           HB2      ASP   5   4.203  -2.698   3.475
   23    HB3  ASP   5           HB1      ASP   5   4.305  -0.988   3.883
   24    HA   PRO   6           HA       PRO   6   2.999  -3.963  -1.325
   25    HB2  PRO   6           HB2      PRO   6   4.157  -6.402  -0.887
   26    HB3  PRO   6           HB1      PRO   6   4.955  -5.084  -1.769
   27    HG2  PRO   6           HG2      PRO   6   5.310  -5.967   1.052
   28    HG3  PRO   6           HG1      PRO   6   6.518  -5.418  -0.122
   29    HD2  PRO   6           HD2      PRO   6   5.556  -3.812   1.866
   30    HD3  PRO   6           HD1      PRO   6   6.113  -3.182   0.299
   31    H    ARG   7           H        ARG   7   3.014  -4.693   2.051
   32    HA   ARG   7           HA       ARG   7   1.193  -6.879   2.033
   33    HB2  ARG   7           HB2      ARG   7   1.952  -4.890   4.180
   34    HB3  ARG   7           HB1      ARG   7   0.882  -6.264   4.456
   35    HG2  ARG   7           HG2      ARG   7   2.658  -7.804   3.704
   36    HG3  ARG   7           HG1      ARG   7   3.731  -6.431   3.433
   37    HD2  ARG   7           HD2      ARG   7   3.577  -5.837   5.823
   38    HD3  ARG   7           HD1      ARG   7   2.510  -7.212   6.095
   39    HE   ARG   7           HE       ARG   7   4.880  -8.149   4.895
   40   HH11  ARG   7          1HH2      ARG   7   3.730  -6.700   7.819
   41   HH12  ARG   7          2HH2      ARG   7   4.934  -7.438   8.821
   42   HH21  ARG   7          1HH1      ARG   7   6.462  -9.121   6.204
   43   HH22  ARG   7          2HH1      ARG   7   6.481  -8.809   7.907
   44    H    CYS   8           H        CYS   8   0.828  -3.431   1.774
   45    HA   CYS   8           HA       CYS   8  -1.725  -2.996   2.743
   46    HB2  CYS   8           HB2      CYS   8   0.081  -1.519   1.294
   47    HB3  CYS   8           HB1      CYS   8  -1.253  -1.711   0.152
   48    H    ARG   9           H        ARG   9  -3.786  -3.181   1.960
   49    HA   ARG   9           HA       ARG   9  -4.393  -5.438   0.386
   50    HB2  ARG   9           HB2      ARG   9  -6.104  -3.058   1.150
   51    HB3  ARG   9           HB1      ARG   9  -6.726  -4.541   0.437
   52    HG2  ARG   9           HG2      ARG   9  -5.133  -4.521   3.010
   53    HG3  ARG   9           HG1      ARG   9  -6.885  -4.357   2.987
   54    HD2  ARG   9           HD2      ARG   9  -7.026  -6.535   1.762
   55    HD3  ARG   9           HD1      ARG   9  -5.285  -6.714   1.934
   56    HE   ARG   9           HE       ARG   9  -7.265  -7.000   4.041
   57   HH11  ARG   9          1HH2      ARG   9  -3.954  -6.560   3.134
   58   HH12  ARG   9          2HH2      ARG   9  -3.321  -7.202   4.611
   59   HH21  ARG   9          1HH1      ARG   9  -6.440  -7.853   5.978
   60   HH22  ARG   9          2HH1      ARG   9  -4.726  -7.934   6.222
   61    H    TYR  10           H        TYR  10  -4.179  -2.000  -0.399
   62    HA   TYR  10           HA       TYR  10  -4.188  -2.735  -3.249
   63    HB2  TYR  10           HB2      TYR  10  -5.788  -1.058  -3.825
   64    HB3  TYR  10           HB1      TYR  10  -6.498  -2.002  -2.514
   65    HD1  TYR  10           HD1      TYR  10  -6.304  -1.116  -0.125
   66    HD2  TYR  10           HD2      TYR  10  -5.393   1.259  -3.586
   67    HE1  TYR  10           HE1      TYR  10  -6.529   0.948   1.231
   68    HE2  TYR  10           HE2      TYR  10  -5.615   3.322  -2.229
   69    HH   TYR  10           HH       TYR  10  -5.964   4.164  -0.208
   70    H    ARG  11           H        ARG  11  -3.313  -1.046  -4.635
   71    HA   ARG  11           HA       ARG  11  -1.139   0.370  -3.314
   72    HB2  ARG  11           HB2      ARG  11  -0.774  -0.986  -5.390
   73    HB3  ARG  11           HB1      ARG  11  -1.756   0.188  -6.269
   74    HG2  ARG  11           HG2      ARG  11  -0.210   1.989  -5.579
   75    HG3  ARG  11           HG1      ARG  11   0.780   0.804  -4.728
   76    HD2  ARG  11           HD2      ARG  11   0.185   0.771  -7.701
   77    HD3  ARG  11           HD1      ARG  11   1.693   1.314  -6.973
   78    HE   ARG  11           HE       ARG  11   0.818  -1.435  -7.293
   79   HH11  ARG  11          1HH2      ARG  11   2.858   0.816  -5.636
   80   HH12  ARG  11          2HH2      ARG  11   4.029  -0.373  -5.174
   81   HH21  ARG  11          1HH1      ARG  11   2.349  -3.001  -6.690
   82   HH22  ARG  11          2HH1      ARG  11   3.741  -2.534  -5.771
   83    H    ABA  12           H        ABA  12  -0.906   2.555  -3.212
   84    HA   ABA  12           HA       ABA  12  -3.245   4.161  -4.016
   85    HB3  ABA  12           HB1      ABA  12  -2.677   5.716  -2.306
   86    HB2  ABA  12           HB2      ABA  12  -1.102   4.990  -2.057
   87    HG1  ABA  12           HG       ABA  12  -3.800   3.863  -1.195
   88    H    ARG  13           H        ARG  13  -2.350   6.643  -4.136
   89    HA   ARG  13           HA       ARG  13  -0.664   6.617  -6.510
   90    HB2  ARG  13           HB2      ARG  13  -1.285   9.283  -5.776
   91    HB3  ARG  13           HB1      ARG  13  -1.982   8.332  -7.088
   92    HG2  ARG  13           HG2      ARG  13  -3.800   9.081  -5.713
   93    HG3  ARG  13           HG1      ARG  13  -3.601   7.361  -5.406
   94    HD2  ARG  13           HD2      ARG  13  -3.652   8.076  -3.218
   95    HD3  ARG  13           HD1      ARG  13  -1.935   8.339  -3.516
   96    HE   ARG  13           HE       ARG  13  -3.466  10.628  -4.268
   97   HH11  ARG  13          1HH2      ARG  13  -2.189   8.876  -1.572
   98   HH12  ARG  13          2HH2      ARG  13  -2.095  10.263  -0.540
   99   HH21  ARG  13          1HH1      ARG  13  -3.349  12.450  -2.920
  100   HH22  ARG  13          2HH1      ARG  13  -2.751  12.287  -1.303
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1   3.257   5.982   4.989
    2    H2   GLY   1           HT2      GLY   1   2.658   5.205   3.602
    3    H3   GLY   1           HT3      GLY   1   3.959   4.531   4.462
    4    HA2  GLY   1           HA2      GLY   1   2.543   4.124   6.366
    5    HA3  GLY   1           HA1      GLY   1   1.192   4.850   5.494
    6    H    CYS   2           H        CYS   2  -0.151   3.175   5.094
    7    HA   CYS   2           HA       CYS   2   0.664   0.528   4.589
    8    HB2  CYS   2           HB2      CYS   2  -1.643   1.303   5.296
    9    HB3  CYS   2           HB1      CYS   2  -1.897   1.817   3.629
   10    H    ABA   3           H        ABA   3  -0.295   3.177   2.465
   11    HA   ABA   3           HA       ABA   3  -0.180   1.975  -0.014
   12    HB3  ABA   3           HB1      ABA   3   0.814   4.332  -0.678
   13    HB2  ABA   3           HB2      ABA   3   0.386   4.730   0.981
   14    HG1  ABA   3           HG       ABA   3  -1.959   4.454   0.529
   15    H    SER   4           H        SER   4   2.491   3.249   1.921
   16    HA   SER   4           HA       SER   4   4.533   2.904   0.018
   17    HB2  SER   4           HB2      SER   4   4.636   2.804   3.037
   18    HB3  SER   4           HB1      SER   4   6.058   2.849   2.003
   19    HG   SER   4           HG       SER   4   5.698   4.939   2.330
   20    H    ASP   5           H        ASP   5   3.227   0.691   2.481
   21    HA   ASP   5           HA       ASP   5   5.103  -1.389   1.826
   22    HB2  ASP   5           HB2      ASP   5   4.232  -2.548   3.585
   23    HB3  ASP   5           HB1      ASP   5   3.654  -0.936   4.007
   24    HA   PRO   6           HA       PRO   6   2.806  -3.027  -1.677
   25    HB2  PRO   6           HB2      PRO   6   4.018  -5.460  -1.896
   26    HB3  PRO   6           HB1      PRO   6   4.793  -3.943  -2.401
   27    HG2  PRO   6           HG2      PRO   6   5.190  -5.547   0.073
   28    HG3  PRO   6           HG1      PRO   6   6.375  -4.676  -0.914
   29    HD2  PRO   6           HD2      PRO   6   5.375  -3.700   1.439
   30    HD3  PRO   6           HD1      PRO   6   5.984  -2.678   0.121
   31    H    ARG   7           H        ARG   7   2.958  -4.620   1.403
   32    HA   ARG   7           HA       ARG   7   1.115  -6.718   0.848
   33    HB2  ARG   7           HB2      ARG   7   2.033  -5.443   3.430
   34    HB3  ARG   7           HB1      ARG   7   0.942  -6.825   3.364
   35    HG2  ARG   7           HG2      ARG   7   2.650  -8.066   2.038
   36    HG3  ARG   7           HG1      ARG   7   3.751  -6.701   2.236
   37    HD2  ARG   7           HD2      ARG   7   2.494  -8.205   4.537
   38    HD3  ARG   7           HD1      ARG   7   4.096  -8.540   3.913
   39    HE   ARG   7           HE       ARG   7   4.831  -6.414   4.729
   40   HH11  ARG   7          1HH2      ARG   7   1.519  -7.139   5.441
   41   HH12  ARG   7          2HH2      ARG   7   1.385  -5.943   6.677
   42   HH21  ARG   7          1HH1      ARG   7   4.654  -4.841   6.351
   43   HH22  ARG   7          2HH1      ARG   7   3.154  -4.640   7.194
   44    H    CYS   8           H        CYS   8   0.751  -3.341   1.333
   45    HA   CYS   8           HA       CYS   8  -1.586  -2.962   2.675
   46    HB2  CYS   8           HB2      CYS   8  -0.131  -1.335   1.209
   47    HB3  CYS   8           HB1      CYS   8  -1.350  -1.672  -0.016
   48    H    ARG   9           H        ARG   9  -3.797  -2.924   2.181
   49    HA   ARG   9           HA       ARG   9  -4.778  -5.210   0.890
   50    HB2  ARG   9           HB2      ARG   9  -6.119  -2.648   1.767
   51    HB3  ARG   9           HB1      ARG   9  -7.012  -4.002   1.076
   52    HG2  ARG   9           HG2      ARG   9  -5.112  -4.597   3.300
   53    HG3  ARG   9           HG1      ARG   9  -6.624  -3.789   3.714
   54    HD2  ARG   9           HD2      ARG   9  -6.474  -6.318   2.051
   55    HD3  ARG   9           HD1      ARG   9  -6.738  -6.311   3.792
   56    HE   ARG   9           HE       ARG   9  -8.639  -4.598   2.679
   57   HH11  ARG   9          1HH2      ARG   9  -7.713  -7.929   2.548
   58   HH12  ARG   9          2HH2      ARG   9  -9.314  -8.506   2.228
   59   HH21  ARG   9          1HH1      ARG   9 -10.742  -5.345   2.258
   60   HH22  ARG   9          2HH1      ARG   9 -11.030  -7.043   2.064
   61    H    TYR  10           H        TYR  10  -4.387  -1.888  -0.226
   62    HA   TYR  10           HA       TYR  10  -4.978  -2.824  -2.966
   63    HB2  TYR  10           HB2      TYR  10  -6.201  -0.803  -3.432
   64    HB3  TYR  10           HB1      TYR  10  -6.909  -1.548  -1.998
   65    HD1  TYR  10           HD1      TYR  10  -6.236  -0.693   0.296
   66    HD2  TYR  10           HD2      TYR  10  -5.204   1.359  -3.335
   67    HE1  TYR  10           HE1      TYR  10  -5.801   1.377   1.589
   68    HE2  TYR  10           HE2      TYR  10  -4.764   3.428  -2.041
   69    HH   TYR  10           HH       TYR  10  -4.078   3.696   0.813
   70    H    ARG  11           H        ARG  11  -3.950  -1.600  -4.636
   71    HA   ARG  11           HA       ARG  11  -1.300  -0.763  -3.925
   72    HB2  ARG  11           HB2      ARG  11  -1.874  -1.991  -6.029
   73    HB3  ARG  11           HB1      ARG  11  -2.690  -0.534  -6.597
   74    HG2  ARG  11           HG2      ARG  11  -0.624   0.738  -6.424
   75    HG3  ARG  11           HG1      ARG  11   0.212  -0.664  -5.753
   76    HD2  ARG  11           HD2      ARG  11  -0.214  -1.914  -7.834
   77    HD3  ARG  11           HD1      ARG  11  -1.046  -0.514  -8.506
   78    HE   ARG  11           HE       ARG  11   1.023   0.499  -8.849
   79   HH11  ARG  11          1HH2      ARG  11   1.290  -2.325  -6.872
   80   HH12  ARG  11          2HH2      ARG  11   3.020  -2.377  -6.936
   81   HH21  ARG  11          1HH1      ARG  11   3.295   0.438  -8.943
   82   HH22  ARG  11          2HH1      ARG  11   4.155  -0.813  -8.109
   83    H    ABA  12           H        ABA  12  -0.543   1.246  -3.628
   84    HA   ABA  12           HA       ABA  12  -2.451   3.453  -3.756
   85    HB3  ABA  12           HB1      ABA  12  -0.064   4.466  -2.797
   86    HB2  ABA  12           HB2      ABA  12  -0.063   2.811  -2.198
   87    HG1  ABA  12           HG       ABA  12  -2.692   4.097  -1.742
   88    H    ARG  13           H        ARG  13   0.100   2.141  -5.539
   89    HA   ARG  13           HA       ARG  13  -0.096   4.240  -7.497
   90    HB2  ARG  13           HB2      ARG  13   1.536   5.360  -6.150
   91    HB3  ARG  13           HB1      ARG  13   2.453   3.874  -5.902
   92    HG2  ARG  13           HG2      ARG  13   3.503   5.423  -7.584
   93    HG3  ARG  13           HG1      ARG  13   3.130   3.837  -8.243
   94    HD2  ARG  13           HD2      ARG  13   2.455   5.814  -9.697
   95    HD3  ARG  13           HD1      ARG  13   1.176   4.653  -9.362
   96    HE   ARG  13           HE       ARG  13   1.200   6.744  -7.415
   97   HH11  ARG  13          1HH2      ARG  13   0.359   5.974 -10.682
   98   HH12  ARG  13          2HH2      ARG  13  -0.911   7.147 -10.778
   99   HH21  ARG  13          1HH1      ARG  13  -0.465   8.284  -7.532
  100   HH22  ARG  13          2HH1      ARG  13  -1.377   8.456  -8.995
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  -0.218   5.190   6.040
    2    H2   GLY   1           HT2      GLY   1   1.055   6.301   5.864
    3    H3   GLY   1           HT3      GLY   1   1.390   4.655   6.109
    4    HA2  GLY   1           HA2      GLY   1  -0.222   5.427   3.783
    5    HA3  GLY   1           HA1      GLY   1   1.522   5.685   3.731
    6    H    CYS   2           H        CYS   2  -0.998   3.252   4.176
    7    HA   CYS   2           HA       CYS   2   0.709   0.986   4.341
    8    HB2  CYS   2           HB2      CYS   2  -1.241  -0.275   4.209
    9    HB3  CYS   2           HB1      CYS   2  -1.872   1.261   4.786
   10    H    ABA   3           H        ABA   3  -0.657   2.799   1.657
   11    HA   ABA   3           HA       ABA   3  -0.199   0.999  -0.431
   12    HB3  ABA   3           HB1      ABA   3   0.034   3.114  -1.836
   13    HB2  ABA   3           HB2      ABA   3  -0.168   4.016  -0.336
   14    HG1  ABA   3           HG       ABA   3  -2.338   2.185  -0.322
   15    H    SER   4           H        SER   4   2.009   2.845   1.468
   16    HA   SER   4           HA       SER   4   4.179   2.956  -0.359
   17    HB2  SER   4           HB2      SER   4   5.527   3.531   1.556
   18    HB3  SER   4           HB1      SER   4   3.968   4.328   1.733
   19    HG   SER   4           HG       SER   4   4.890   1.955   2.985
   20    H    ASP   5           H        ASP   5   2.805   0.412   1.516
   21    HA   ASP   5           HA       ASP   5   5.142  -1.272   0.932
   22    HB2  ASP   5           HB2      ASP   5   3.239  -1.375   3.265
   23    HB3  ASP   5           HB1      ASP   5   4.394  -2.648   2.888
   24    HA   PRO   6           HA       PRO   6   2.395  -3.762  -1.545
   25    HB2  PRO   6           HB2      PRO   6   3.696  -6.183  -1.413
   26    HB3  PRO   6           HB1      PRO   6   4.239  -4.828  -2.423
   27    HG2  PRO   6           HG2      PRO   6   5.240  -5.748   0.222
   28    HG3  PRO   6           HG1      PRO   6   6.132  -5.112  -1.170
   29    HD2  PRO   6           HD2      PRO   6   5.567  -3.609   1.040
   30    HD3  PRO   6           HD1      PRO   6   5.768  -2.919  -0.585
   31    H    ARG   7           H        ARG   7   3.035  -4.428   1.745
   32    HA   ARG   7           HA       ARG   7   1.474  -6.751   2.117
   33    HB2  ARG   7           HB2      ARG   7   2.153  -4.510   4.045
   34    HB3  ARG   7           HB1      ARG   7   1.441  -6.055   4.507
   35    HG2  ARG   7           HG2      ARG   7   3.964  -6.053   2.887
   36    HG3  ARG   7           HG1      ARG   7   4.062  -5.728   4.616
   37    HD2  ARG   7           HD2      ARG   7   2.865  -7.846   5.072
   38    HD3  ARG   7           HD1      ARG   7   2.785  -8.176   3.348
   39    HE   ARG   7           HE       ARG   7   5.481  -7.747   4.064
   40   HH11  ARG   7          1HH2      ARG   7   2.867  -9.969   4.516
   41   HH12  ARG   7          2HH2      ARG   7   3.892 -11.351   4.710
   42   HH21  ARG   7          1HH1      ARG   7   6.832  -9.556   4.318
   43   HH22  ARG   7          2HH1      ARG   7   6.137 -11.117   4.597
   44    H    CYS   8           H        CYS   8   0.673  -3.364   1.793
   45    HA   CYS   8           HA       CYS   8  -1.913  -3.430   2.958
   46    HB2  CYS   8           HB2      CYS   8  -0.560  -1.385   2.312
   47    HB3  CYS   8           HB1      CYS   8  -1.067  -1.678   0.652
   48    H    ARG   9           H        ARG   9  -3.928  -3.829   2.105
   49    HA   ARG   9           HA       ARG   9  -4.155  -5.753   0.059
   50    HB2  ARG   9           HB2      ARG   9  -6.202  -3.928   1.331
   51    HB3  ARG   9           HB1      ARG   9  -6.616  -5.199   0.180
   52    HG2  ARG   9           HG2      ARG   9  -5.706  -6.904   1.634
   53    HG3  ARG   9           HG1      ARG   9  -5.058  -5.686   2.733
   54    HD2  ARG   9           HD2      ARG   9  -8.006  -6.010   2.119
   55    HD3  ARG   9           HD1      ARG   9  -7.211  -6.719   3.521
   56    HE   ARG   9           HE       ARG   9  -6.615  -3.980   3.505
   57   HH11  ARG   9          1HH2      ARG   9  -9.329  -6.108   3.787
   58   HH12  ARG   9          2HH2      ARG   9 -10.241  -5.035   4.794
   59   HH21  ARG   9          1HH1      ARG   9  -7.806  -2.567   4.825
   60   HH22  ARG   9          2HH1      ARG   9  -9.379  -3.029   5.382
   61    H    TYR  10           H        TYR  10  -4.556  -2.236   0.041
   62    HA   TYR  10           HA       TYR  10  -4.890  -2.336  -2.895
   63    HB2  TYR  10           HB2      TYR  10  -5.890  -0.084  -2.673
   64    HB3  TYR  10           HB1      TYR  10  -6.792  -1.299  -1.766
   65    HD1  TYR  10           HD2      TYR  10  -4.524   1.593  -1.528
   66    HD2  TYR  10           HD1      TYR  10  -6.731  -1.358   0.675
   67    HE1  TYR  10           HE2      TYR  10  -4.182   2.894   0.557
   68    HE2  TYR  10           HE1      TYR  10  -6.390  -0.059   2.759
   69    HH   TYR  10           HH       TYR  10  -4.721   1.629   3.618
   70    H    ARG  11           H        ARG  11  -3.814  -0.683  -4.135
   71    HA   ARG  11           HA       ARG  11  -1.274   0.182  -2.892
   72    HB2  ARG  11           HB2      ARG  11  -1.924  -0.363  -5.799
   73    HB3  ARG  11           HB1      ARG  11  -0.361   0.180  -5.184
   74    HG2  ARG  11           HG2      ARG  11  -0.072  -1.842  -3.908
   75    HG3  ARG  11           HG1      ARG  11  -1.727  -2.355  -4.245
   76    HD2  ARG  11           HD2      ARG  11   0.422  -1.963  -6.347
   77    HD3  ARG  11           HD1      ARG  11  -0.057  -3.521  -5.680
   78    HE   ARG  11           HE       ARG  11  -2.377  -2.279  -6.628
   79   HH11  ARG  11          1HH2      ARG  11   0.649  -3.476  -7.805
   80   HH12  ARG  11          2HH2      ARG  11   0.034  -3.888  -9.371
   81   HH21  ARG  11          1HH1      ARG  11  -3.190  -2.817  -8.679
   82   HH22  ARG  11          2HH1      ARG  11  -2.139  -3.515  -9.866
   83    H    ABA  12           H        ABA  12  -0.463   2.258  -3.348
   84    HA   ABA  12           HA       ABA  12  -2.242   4.145  -4.709
   85    HB3  ABA  12           HB1      ABA  12  -2.659   5.441  -2.899
   86    HB2  ABA  12           HB2      ABA  12  -1.097   5.122  -2.168
   87    HG1  ABA  12           HG       ABA  12  -3.652   3.547  -1.827
   88    H    ARG  13           H        ARG  13  -1.202   6.126  -5.300
   89    HA   ARG  13           HA       ARG  13   1.659   6.389  -4.917
   90    HB2  ARG  13           HB2      ARG  13   2.345   6.130  -7.162
   91    HB3  ARG  13           HB1      ARG  13   1.276   4.758  -6.875
   92    HG2  ARG  13           HG2      ARG  13   0.546   7.351  -8.292
   93    HG3  ARG  13           HG1      ARG  13   0.710   5.762  -9.020
   94    HD2  ARG  13           HD2      ARG  13  -1.389   6.685  -7.058
   95    HD3  ARG  13           HD1      ARG  13  -1.625   6.062  -8.688
   96    HE   ARG  13           HE       ARG  13  -1.168   4.494  -6.285
   97   HH11  ARG  13          1HH2      ARG  13  -1.112   4.652  -9.741
   98   HH12  ARG  13          2HH2      ARG  13  -1.245   2.939  -9.959
   99   HH21  ARG  13          1HH1      ARG  13  -1.343   2.247  -6.563
  100   HH22  ARG  13          2HH1      ARG  13  -1.376   1.578  -8.160
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1   2.294   5.403   7.191
    2    H2   GLY   1           HT2      GLY   1   1.133   4.162   7.172
    3    H3   GLY   1           HT3      GLY   1   0.643   5.788   7.243
    4    HA2  GLY   1           HA2      GLY   1   0.391   5.642   5.044
    5    HA3  GLY   1           HA1      GLY   1   2.150   5.763   5.006
    6    H    CYS   2           H        CYS   2  -0.552   3.481   5.107
    7    HA   CYS   2           HA       CYS   2   0.916   1.095   4.850
    8    HB2  CYS   2           HB2      CYS   2  -1.483   1.156   5.406
    9    HB3  CYS   2           HB1      CYS   2  -1.843   1.739   3.781
   10    H    ABA   3           H        ABA   3  -0.525   3.199   2.365
   11    HA   ABA   3           HA       ABA   3  -0.111   1.930   0.036
   12    HB3  ABA   3           HB1      ABA   3   0.832   4.264  -0.782
   13    HB2  ABA   3           HB2      ABA   3   0.379   4.769   0.838
   14    HG1  ABA   3           HG       ABA   3  -1.952   4.394   0.409
   15    H    SER   4           H        SER   4   2.384   3.064   2.184
   16    HA   SER   4           HA       SER   4   4.589   2.925   0.438
   17    HB2  SER   4           HB2      SER   4   4.707   4.006   2.638
   18    HB3  SER   4           HB1      SER   4   4.480   2.448   3.426
   19    HG   SER   4           HG       SER   4   6.576   3.014   1.598
   20    H    ASP   5           H        ASP   5   3.174   0.454   2.606
   21    HA   ASP   5           HA       ASP   5   5.124  -1.502   1.825
   22    HB2  ASP   5           HB2      ASP   5   4.148  -2.905   3.403
   23    HB3  ASP   5           HB1      ASP   5   3.807  -1.305   4.056
   24    HA   PRO   6           HA       PRO   6   2.876  -2.946  -1.767
   25    HB2  PRO   6           HB2      PRO   6   4.059  -5.372  -2.129
   26    HB3  PRO   6           HB1      PRO   6   4.860  -3.838  -2.527
   27    HG2  PRO   6           HG2      PRO   6   5.207  -5.591  -0.147
   28    HG3  PRO   6           HG1      PRO   6   6.414  -4.685  -1.074
   29    HD2  PRO   6           HD2      PRO   6   5.399  -3.821   1.331
   30    HD3  PRO   6           HD1      PRO   6   6.031  -2.727   0.077
   31    H    ARG   7           H        ARG   7   2.933  -4.606   1.248
   32    HA   ARG   7           HA       ARG   7   1.080  -6.689   0.557
   33    HB2  ARG   7           HB2      ARG   7   1.965  -5.621   3.248
   34    HB3  ARG   7           HB1      ARG   7   1.006  -7.077   3.006
   35    HG2  ARG   7           HG2      ARG   7   3.578  -6.805   1.502
   36    HG3  ARG   7           HG1      ARG   7   3.651  -7.208   3.217
   37    HD2  ARG   7           HD2      ARG   7   1.998  -8.722   1.173
   38    HD3  ARG   7           HD1      ARG   7   3.587  -9.223   1.740
   39    HE   ARG   7           HE       ARG   7   2.017  -8.836   4.008
   40   HH11  ARG   7          1HH2      ARG   7   2.059 -10.805   1.164
   41   HH12  ARG   7          2HH2      ARG   7   1.268 -12.150   1.916
   42   HH21  ARG   7          1HH1      ARG   7   0.978 -10.595   5.000
   43   HH22  ARG   7          2HH1      ARG   7   0.656 -12.030   4.088
   44    H    CYS   8           H        CYS   8   0.753  -3.358   1.146
   45    HA   CYS   8           HA       CYS   8  -1.497  -2.949   2.610
   46    HB2  CYS   8           HB2      CYS   8  -0.115  -1.389   0.900
   47    HB3  CYS   8           HB1      CYS   8  -1.567  -1.660  -0.061
   48    H    ARG   9           H        ARG   9  -3.736  -2.850   2.196
   49    HA   ARG   9           HA       ARG   9  -4.831  -5.153   1.025
   50    HB2  ARG   9           HB2      ARG   9  -5.990  -2.548   1.976
   51    HB3  ARG   9           HB1      ARG   9  -7.012  -3.740   1.172
   52    HG2  ARG   9           HG2      ARG   9  -7.063  -4.062   3.613
   53    HG3  ARG   9           HG1      ARG   9  -6.314  -5.447   2.818
   54    HD2  ARG   9           HD2      ARG   9  -4.125  -4.743   3.432
   55    HD3  ARG   9           HD1      ARG   9  -4.686  -3.138   3.891
   56    HE   ARG   9           HE       ARG   9  -4.866  -5.567   5.487
   57   HH11  ARG   9          1HH2      ARG   9  -5.937  -2.326   4.919
   58   HH12  ARG   9          2HH2      ARG   9  -6.483  -2.075   6.544
   59   HH21  ARG   9          1HH1      ARG   9  -5.578  -5.245   7.619
   60   HH22  ARG   9          2HH1      ARG   9  -6.279  -3.728   8.072
   61    H    TYR  10           H        TYR  10  -4.342  -1.899  -0.228
   62    HA   TYR  10           HA       TYR  10  -5.028  -2.901  -2.916
   63    HB2  TYR  10           HB2      TYR  10  -6.243  -0.859  -3.409
   64    HB3  TYR  10           HB1      TYR  10  -6.943  -1.604  -1.970
   65    HD1  TYR  10           HD1      TYR  10  -6.259  -0.751   0.316
   66    HD2  TYR  10           HD2      TYR  10  -5.253   1.303  -3.321
   67    HE1  TYR  10           HE1      TYR  10  -5.821   1.321   1.606
   68    HE2  TYR  10           HE2      TYR  10  -4.811   3.373  -2.029
   69    HH   TYR  10           HH       TYR  10  -4.955   3.392   1.515
   70    H    ARG  11           H        ARG  11  -4.035  -1.710  -4.645
   71    HA   ARG  11           HA       ARG  11  -1.360  -0.887  -4.025
   72    HB2  ARG  11           HB2      ARG  11  -2.989  -1.191  -6.516
   73    HB3  ARG  11           HB1      ARG  11  -1.500  -0.249  -6.584
   74    HG2  ARG  11           HG2      ARG  11  -1.047  -2.597  -7.140
   75    HG3  ARG  11           HG1      ARG  11  -0.256  -2.168  -5.624
   76    HD2  ARG  11           HD2      ARG  11  -1.964  -3.254  -4.331
   77    HD3  ARG  11           HD1      ARG  11  -2.992  -3.455  -5.747
   78    HE   ARG  11           HE       ARG  11  -0.604  -4.779  -6.303
   79   HH11  ARG  11          1HH2      ARG  11  -3.187  -4.902  -4.003
   80   HH12  ARG  11          2HH2      ARG  11  -3.056  -6.608  -3.740
   81   HH21  ARG  11          1HH1      ARG  11  -0.427  -7.019  -5.964
   82   HH22  ARG  11          2HH1      ARG  11  -1.493  -7.807  -4.850
   83    H    ABA  12           H        ABA  12  -0.568   1.109  -3.734
   84    HA   ABA  12           HA       ABA  12  -2.436   3.366  -3.860
   85    HB3  ABA  12           HB1      ABA  12  -0.042   4.326  -2.891
   86    HB2  ABA  12           HB2      ABA  12  -0.065   2.670  -2.286
   87    HG1  ABA  12           HG       ABA  12  -2.680   3.939  -1.840
   88    H    ARG  13           H        ARG  13  -0.464   1.901  -5.975
   89    HA   ARG  13           HA       ARG  13   0.874   4.267  -7.031
   90    HB2  ARG  13           HB2      ARG  13   0.748   1.607  -8.424
   91    HB3  ARG  13           HB1      ARG  13   2.034   2.815  -8.450
   92    HG2  ARG  13           HG2      ARG  13   1.266   1.062  -6.098
   93    HG3  ARG  13           HG1      ARG  13   2.731   0.933  -7.069
   94    HD2  ARG  13           HD2      ARG  13   3.269   3.316  -6.387
   95    HD3  ARG  13           HD1      ARG  13   1.939   3.203  -5.238
   96    HE   ARG  13           HE       ARG  13   3.692   1.002  -4.886
   97   HH11  ARG  13          1HH2      ARG  13   3.439   4.423  -4.434
   98   HH12  ARG  13          2HH2      ARG  13   4.517   4.463  -3.079
   99   HH21  ARG  13          1HH1      ARG  13   5.108   1.046  -3.110
  100   HH22  ARG  13          2HH1      ARG  13   5.463   2.552  -2.329
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1   3.942   3.739   5.463
    2    H2   GLY   1           HT2      GLY   1   3.194   5.173   5.983
    3    H3   GLY   1           HT3      GLY   1   4.505   5.238   4.903
    4    HA2  GLY   1           HA2      GLY   1   1.797   5.135   4.287
    5    HA3  GLY   1           HA1      GLY   1   3.161   5.092   3.168
    6    H    CYS   2           H        CYS   2   0.615   3.313   4.578
    7    HA   CYS   2           HA       CYS   2   1.546   0.671   4.328
    8    HB2  CYS   2           HB2      CYS   2  -0.512   1.222   5.530
    9    HB3  CYS   2           HB1      CYS   2  -1.267   1.753   4.028
   10    H    ABA   3           H        ABA   3  -0.288   2.679   2.059
   11    HA   ABA   3           HA       ABA   3  -0.682   0.943  -0.009
   12    HB3  ABA   3           HB1      ABA   3  -0.364   2.931  -1.518
   13    HB2  ABA   3           HB2      ABA   3   0.120   3.849  -0.090
   14    HG1  ABA   3           HG       ABA   3  -2.344   2.651   0.648
   15    H    SER   4           H        SER   4   2.268   2.859   0.568
   16    HA   SER   4           HA       SER   4   3.730   1.899  -1.634
   17    HB2  SER   4           HB2      SER   4   4.660   2.927   1.055
   18    HB3  SER   4           HB1      SER   4   5.732   2.611  -0.306
   19    HG   SER   4           HG       SER   4   4.131   4.729   0.167
   20    H    ASP   5           H        ASP   5   3.400   0.712   1.682
   21    HA   ASP   5           HA       ASP   5   5.287  -1.400   1.351
   22    HB2  ASP   5           HB2      ASP   5   3.144  -0.881   3.408
   23    HB3  ASP   5           HB1      ASP   5   4.233  -2.265   3.484
   24    HA   PRO   6           HA       PRO   6   2.789  -4.371  -0.794
   25    HB2  PRO   6           HB2      PRO   6   3.876  -6.698   0.184
   26    HB3  PRO   6           HB1      PRO   6   4.642  -5.703  -1.070
   27    HG2  PRO   6           HG2      PRO   6   5.224  -5.875   1.842
   28    HG3  PRO   6           HG1      PRO   6   6.331  -5.653   0.477
   29    HD2  PRO   6           HD2      PRO   6   5.559  -3.610   2.107
   30    HD3  PRO   6           HD1      PRO   6   6.005  -3.378   0.402
   31    H    ARG   7           H        ARG   7   2.844  -4.164   2.624
   32    HA   ARG   7           HA       ARG   7   1.119  -6.285   3.322
   33    HB2  ARG   7           HB2      ARG   7   0.836  -5.145   5.423
   34    HB3  ARG   7           HB1      ARG   7   2.512  -4.930   4.916
   35    HG2  ARG   7           HG2      ARG   7   1.782  -2.728   3.868
   36    HG3  ARG   7           HG1      ARG   7   0.252  -2.928   4.719
   37    HD2  ARG   7           HD2      ARG   7   2.978  -2.882   6.038
   38    HD3  ARG   7           HD1      ARG   7   1.845  -1.535   6.008
   39    HE   ARG   7           HE       ARG   7   1.620  -3.960   7.609
   40   HH11  ARG   7          1HH2      ARG   7   0.130  -1.120   6.307
   41   HH12  ARG   7          2HH2      ARG   7  -1.136  -1.076   7.487
   42   HH21  ARG   7          1HH1      ARG   7  -0.039  -3.908   9.161
   43   HH22  ARG   7          2HH1      ARG   7  -1.233  -2.653   9.102
   44    H    CYS   8           H        CYS   8   0.543  -3.188   1.853
   45    HA   CYS   8           HA       CYS   8  -2.264  -3.061   2.514
   46    HB2  CYS   8           HB2      CYS   8  -0.311  -1.376   1.215
   47    HB3  CYS   8           HB1      CYS   8  -1.795  -1.457   0.269
   48    H    ARG   9           H        ARG   9  -3.939  -3.888   1.440
   49    HA   ARG   9           HA       ARG   9  -3.590  -5.850  -0.557
   50    HB2  ARG   9           HB2      ARG   9  -6.062  -4.342   0.327
   51    HB3  ARG   9           HB1      ARG   9  -6.087  -5.725  -0.765
   52    HG2  ARG   9           HG2      ARG   9  -4.888  -5.793   2.023
   53    HG3  ARG   9           HG1      ARG   9  -6.517  -6.349   1.638
   54    HD2  ARG   9           HD2      ARG   9  -5.428  -8.359   1.390
   55    HD3  ARG   9           HD1      ARG   9  -5.155  -7.729  -0.229
   56    HE   ARG   9           HE       ARG   9  -2.903  -7.525   0.288
   57   HH11  ARG   9          1HH2      ARG   9  -4.809  -7.894   3.152
   58   HH12  ARG   9          2HH2      ARG   9  -3.444  -8.051   4.207
   59   HH21  ARG   9          1HH1      ARG   9  -1.107  -7.729   1.665
   60   HH22  ARG   9          2HH1      ARG   9  -1.349  -7.957   3.364
   61    H    TYR  10           H        TYR  10  -4.463  -2.425  -0.722
   62    HA   TYR  10           HA       TYR  10  -4.186  -2.566  -3.669
   63    HB2  TYR  10           HB2      TYR  10  -5.842  -0.740  -3.815
   64    HB3  TYR  10           HB1      TYR  10  -6.530  -2.186  -3.077
   65    HD1  TYR  10           HD2      TYR  10  -6.966  -2.284  -0.655
   66    HD2  TYR  10           HD1      TYR  10  -5.447   1.275  -2.516
   67    HE1  TYR  10           HE2      TYR  10  -7.545  -0.977   1.372
   68    HE2  TYR  10           HE1      TYR  10  -6.023   2.583  -0.490
   69    HH   TYR  10           HH       TYR  10  -6.465   2.282   1.826
   70    H    ARG  11           H        ARG  11  -3.255  -0.731  -4.693
   71    HA   ARG  11           HA       ARG  11  -1.268   0.604  -3.057
   72    HB2  ARG  11           HB2      ARG  11  -1.850   0.661  -6.024
   73    HB3  ARG  11           HB1      ARG  11  -0.539   1.566  -5.265
   74    HG2  ARG  11           HG2      ARG  11   0.334  -0.586  -4.326
   75    HG3  ARG  11           HG1      ARG  11  -0.907  -1.443  -5.242
   76    HD2  ARG  11           HD2      ARG  11   1.156   0.395  -6.481
   77    HD3  ARG  11           HD1      ARG  11   1.315  -1.351  -6.405
   78    HE   ARG  11           HE       ARG  11  -0.498  -1.545  -7.956
   79   HH11  ARG  11          1HH2      ARG  11   0.392   1.711  -7.180
   80   HH12  ARG  11          2HH2      ARG  11  -0.419   2.402  -8.541
   81   HH21  ARG  11          1HH1      ARG  11  -1.568  -0.640  -9.743
   82   HH22  ARG  11          2HH1      ARG  11  -1.530   1.074  -9.992
   83    H    ABA  12           H        ABA  12  -0.915   2.963  -3.239
   84    HA   ABA  12           HA       ABA  12  -3.490   4.416  -3.284
   85    HB3  ABA  12           HB1      ABA  12  -2.357   6.055  -1.780
   86    HB2  ABA  12           HB2      ABA  12  -0.952   5.031  -1.768
   87    HG1  ABA  12           HG       ABA  12  -3.653   4.365  -0.520
   88    H    ARG  13           H        ARG  13  -3.167   6.828  -3.759
   89    HA   ARG  13           HA       ARG  13  -1.004   7.428  -5.607
   90    HB2  ARG  13           HB2      ARG  13  -2.463   6.424  -7.202
   91    HB3  ARG  13           HB1      ARG  13  -3.884   7.197  -6.495
   92    HG2  ARG  13           HG2      ARG  13  -3.134   8.311  -8.617
   93    HG3  ARG  13           HG1      ARG  13  -3.107   9.396  -7.235
   94    HD2  ARG  13           HD2      ARG  13  -0.735   9.212  -7.016
   95    HD3  ARG  13           HD1      ARG  13  -0.671   7.833  -8.110
   96    HE   ARG  13           HE       ARG  13  -1.737   9.944  -9.571
   97   HH11  ARG  13          1HH2      ARG  13   1.152   9.212  -7.813
   98   HH12  ARG  13          2HH2      ARG  13   2.170  10.200  -8.804
   99   HH21  ARG  13          1HH1      ARG  13  -0.407  11.243 -10.876
  100   HH22  ARG  13          2HH1      ARG  13   1.288  11.350 -10.539