*HEADER    ELECTRON TRANSPORT                      30-JUL-98   1BNX              
*TITLE     STRUCTURAL STUDIES ON THE EFFECTS OF THE DELETION IN THE              
*TITLE    2 RED CELL ANION EXCHANGER (BAND3, AE1) ASSOCIATED WITH SOUTH          
*TITLE    3 EAST ASIAN OVALOCYTOSIS.                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BAND 3;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL CYTOPLASM/FIRST MEMBRANE SPAN;                  
*COMPND   5 SYNONYM: SAO, ANION EXCHANGE PROTEIN 1;                              
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES;                                                       
*COMPND   8 OTHER_DETAILS: PEPTIDE CORRESPONDS TO THE SECTION R-389 -K-          
*COMPND   9 430 IN THE SAO MUTANT OF HUMAN BAND 3.                               
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED USING FMOC PEPTIDE STRATEGY.              
*KEYWDS    HUMAN ERYTHROCYTE ANION TRANSPORTER, TRANSMEMBRANE,                   
*KEYWDS   2 SYNTHETIC PEPTIDE, NMR                                               
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    E.J.CHAMBERS, G.B.BLOOMBERG, S.M.RING, M.J.A.TANNER                   
*REVDAT   2   22-DEC-99 1BNX    4       HEADER COMPND REMARK JRNL                
*REVDAT   2 2                   4       ATOM   SOURCE SEQRES                     
*REVDAT   1   05-AUG-98 1BNX    0                                                

set message=off echo=off end                                                    
restraints dihedral reset                                                       
!/mtgraf/usr/people/chambers/xplor31/xplor31/ovd1r/refineIII/ovd1r_dihe_ref3.tbl
! phi restraints                                                                
!assign (resid   1 and name c )   (resid   2 and name n )                       
!       (resid   2 and name ca)   (resid   2 and name c )  1.0  -70.0 35.0 2    
!assign (resid   2 and name c )   (resid   3 and name n )                       
!       (resid   3 and name ca)   (resid   3 and name c )  1.0  -60.0 35.0 2    
assign (resid   4 and name c )   (resid   5 and name n )                        
       (resid   5 and name ca)   (resid   5 and name c )  1.0  -60.0 30.0 2     
assign (resid   5 and name c )   (resid   6 and name n )                        
       (resid   6 and name ca)   (resid   6 and name c )  1.0  -60.0 30.0 2     
assign (resid   6 and name c )   (resid   7 and name n )                        
       (resid   7 and name ca)   (resid   7 and name c )  1.0  -60.0 30.0 2     
assign (resid   7 and name c )   (resid   8 and name n )                        
       (resid   8 and name ca)   (resid   8 and name c )  1.0  -60.0 30.0 2     
assign (resid   8 and name c )   (resid   9 and name n )                        
       (resid   9 and name ca)   (resid   9 and name c )  1.0  -60.0 30.0 2     
assign (resid   9 and name c )   (resid  10 and name n )                        
       (resid  10 and name ca)   (resid  10 and name c )  1.0  -70.0 35.0 2     
assign (resid  10 and name c )   (resid  11 and name n )                        
       (resid  11 and name ca)   (resid  11 and name c )  1.0  -60.0 30.0 2     
assign (resid  11 and name c )   (resid  12 and name n )                        
       (resid  12 and name ca)   (resid  12 and name c )  1.0  -60.0 30.0 2     
assign (resid  12 and name c )   (resid  13 and name n )                        
       (resid  13 and name ca)   (resid  13 and name c )  1.0  -60.0 30.0 2     
assign (resid  13 and name c )   (resid  14 and name n )                        
       (resid  14 and name ca)   (resid  14 and name c )  1.0  -60.0 30.0 2     
assign (resid  14 and name c )   (resid  15 and name n )                        
       (resid  15 and name ca)   (resid  15 and name c )  1.0  -60.0 30.0 2     
assign (resid  15 and name c )   (resid  16 and name n )                        
       (resid  16 and name ca)   (resid  16 and name c )  1.0  -60.0 30.0 2     
assign (resid  16 and name c )   (resid  17 and name n )                        
       (resid  17 and name ca)   (resid  17 and name c )  1.0  -60.0 30.0 2     
assign (resid  17 and name c )   (resid  18 and name n )                        
       (resid  18 and name ca)   (resid  18 and name c )  1.0  -60.0 30.0 2     
assign (resid  18 and name c )   (resid  19 and name n )                        
       (resid  19 and name ca)   (resid  19 and name c )  1.0  -60.0 30.0 2     
assign (resid  19 and name c )   (resid  20 and name n )                        
       (resid  20 and name ca)   (resid  20 and name c )  1.0  -60.0 30.0 2     
assign (resid  20 and name c )   (resid  21 and name n )                        
       (resid  21 and name ca)   (resid  21 and name c )  1.0  -70.0 35.0 2     
assign (resid  21 and name c )   (resid  22 and name n )                        
       (resid  22 and name ca)   (resid  22 and name c )  1.0  -60.0 30.0 2     
assign (resid  23 and name c )   (resid  24 and name n )                        
       (resid  24 and name ca)   (resid  24 and name c )  1.0  -60.0 30.0 2     
assign (resid  24 and name c )   (resid  25 and name n )                        
       (resid  25 and name ca)   (resid  25 and name c )  1.0  -60.0 30.0 2     
assign (resid  25 and name c )   (resid  26 and name n )                        
       (resid  26 and name ca)   (resid  26 and name c )  1.0  -60.0 30.0 2     
assign (resid  26 and name c )   (resid  27 and name n )                        
       (resid  27 and name ca)   (resid  27 and name c )  1.0  -60.0 30.0 2     
assign (resid  29 and name c )   (resid  30 and name n )                        
       (resid  30 and name ca)   (resid  30 and name c )  1.0  -60.0 30.0 2     
assign (resid  30 and name c )   (resid  31 and name n )                        
       (resid  31 and name ca)   (resid  31 and name c )  1.0  -60.0 30.0 2     
assign (resid  32 and name c )   (resid  33 and name n )                        
       (resid  33 and name ca)   (resid  33 and name c )  1.0  -60.0 30.0 2     
assign (resid  33 and name c )   (resid  34 and name n )                        
       (resid  34 and name ca)   (resid  34 and name c )  1.0 -120.0 40.0 2     
end                                                                             
set message=on echo=on end                                                      
set message=off echo=off end                                                    
clas seq                                                                        
!/mtgraf/usr/people/chambers/xplor31/xplor31/ovd1r/refshx_noe.tbl               
!HN(i)-HN(i+1)                                                                  
assign (resid    2 and name HN   )(resid    3 and name HN   ) 3.0 3.0 0.5       
assign (resid    5 and name HN   )(resid    6 and name HN   ) 2.5 2.5 0.4       
assign (resid    6 and name HN   )(resid    7 and name HN   ) 2.5 2.5 0.4       
assign (resid   10 and name HN   )(resid   11 and name HN   ) 2.5 2.5 0.4       
assign (resid   11 and name HN   )(resid   12 and name HN   ) 2.5 2.5 0.4       
assign (resid   12 and name HN   )(resid   13 and name HN   ) 2.5 2.5 0.4       
assign (resid   13 and name HN   )(resid   14 and name HN   ) 2.5 2.5 0.4       
assign (resid   14 and name HN   )(resid   15 and name HN   ) 2.5 2.5 0.4       
assign (resid   17 and name HN   )(resid   18 and name HN   ) 2.5 2.5 0.4       
assign (resid   18 and name HN   )(resid   19 and name HN   ) 2.5 2.5 0.4       
assign (resid   19 and name HN   )(resid   20 and name HN   ) 2.5 2.5 0.4       
assign (resid   20 and name HN   )(resid   21 and name HN   ) 2.5 2.5 0.4       
assign (resid   21 and name HN   )(resid   22 and name HN   ) 2.5 2.5 0.4       
assign (resid   24 and name HN   )(resid   25 and name HN   ) 2.5 2.5 0.4       
assign (resid   25 and name HN   )(resid   26 and name HN   ) 2.5 2.5 0.4       
assign (resid   26 and name HN   )(resid   27 and name HN   ) 2.5 2.5 0.4       
assign (resid   29 and name HN   )(resid   30 and name HN   ) 2.5 2.5 0.4       
assign (resid   31 and name HN   )(resid   32 and name HN   ) 2.5 2.5 0.4       
assign (resid   33 and name HN   )(resid   34 and name HN   ) 2.5 2.5 0.4       
!HA(i)-HN(i+1)                                                                  
assign (resid    2 and name HA   )(resid    3 and name HN   ) 3.0 3.0 0.5       
assign (resid    4 and name HA   )(resid    5 and name HN   ) 3.0 3.0 0.5       
assign (resid    5 and name HA   )(resid    6 and name HN   ) 3.0 3.0 0.5       
assign (resid    6 and name HA   )(resid    7 and name HN   ) 3.0 3.0 0.5       
assign (resid    8 and name HA   )(resid    9 and name HN   ) 3.0 3.0 0.5       
assign (resid    9 and name HA   )(resid   10 and name HN   ) 4.0 4.0 1.0       
assign (resid   12 and name HA   )(resid   13 and name HN   ) 3.0 3.0 0.5       
assign (resid   14 and name HA   )(resid   15 and name HN   ) 3.0 3.0 0.5       
assign (resid   16 and name HA   )(resid   17 and name HN   ) 3.0 3.0 0.5       
assign (resid   18 and name HA   )(resid   19 and name HN   ) 3.0 3.0 0.5       
assign (resid   19 and name HA   )(resid   20 and name HN   ) 4.0 4.0 1.0       
assign (resid   20 and name HA   )(resid   21 and name HN   ) 3.0 3.0 0.5       
assign (resid   21 and name HA   )(resid   22 and name HN   ) 3.0 3.0 0.5       
assign (resid   25 and name HA   )(resid   26 and name HN   ) 4.0 4.0 1.0       
assign (resid   32 and name HA1  )(resid   33 and name HN   ) 3.0 3.0 0.5       
assign (resid   32 and name HA2  )(resid   33 and name HN   ) 3.0 3.0 0.5       
assign (resid   33 and name HA   )(resid   34 and name HN   ) 4.0 4.0 1.0       
!HB(i)-HN(i+1)                                                                  
assign (resid    2 and name HB*  )(resid    3 and name HN   ) 3.0 3.0 0.5       
assign (resid    4 and name HB1  )(resid    5 and name HN   ) 3.0 3.0 0.5       
assign (resid    5 and name HB*  )(resid    6 and name HN   ) 3.0 3.0 0.5       
assign (resid    6 and name HB*  )(resid    7 and name HN   ) 3.0 3.0 0.5       
assign (resid    7 and name HB*  )(resid    8 and name HN   ) 4.0 4.0 1.0       
assign (resid    8 and name HB*  )(resid    9 and name HN   ) 4.0 4.0 1.0       
assign (resid    9 and name HB*  )(resid   10 and name HN   ) 4.0 4.0 1.0       
assign (resid   10 and name HB   )(resid   11 and name HN   ) 3.0 3.0 0.5       
assign (resid   11 and name HB   )(resid   12 and name HN   ) 3.0 3.0 0.5       
assign (resid   12 and name HB2  )(resid   13 and name HN   ) 3.0 3.0 0.5       
assign (resid   12 and name HB1  )(resid   13 and name HN   ) 3.0 3.0 0.5       
assign (resid   13 and name HB   )(resid   14 and name HN   ) 3.0 3.0 0.5       
assign (resid   14 and name HB   )(resid   15 and name HN   ) 3.0 3.0 0.5       
assign (resid   15 and name HB*  )(resid   16 and name HN   ) 3.0 3.0 0.5       
assign (resid   16 and name HB   )(resid   17 and name HN   ) 3.0 3.0 0.5       
assign (resid   17 and name HB*  )(resid   18 and name HN   ) 3.0 3.0 0.5       
assign (resid   18 and name HB1  )(resid   19 and name HN   ) 3.0 3.0 0.5       
assign (resid   18 and name HB2  )(resid   19 and name HN   ) 3.0 3.0 0.5       
assign (resid   19 and name HB*  )(resid   20 and name HN   ) 2.5 2.5 0.4       
assign (resid   20 and name HB*  )(resid   21 and name HN   ) 2.5 2.5 0.4       
assign (resid   21 and name HB*  )(resid   22 and name HN   ) 3.0 3.0 0.5       
assign (resid   23 and name HB1  )(resid   24 and name HN   ) 3.0 3.0 0.5       
assign (resid   24 and name HB*  )(resid   25 and name HN   ) 3.0 3.0 0.5       
assign (resid   25 and name HB   )(resid   26 and name HN   ) 2.5 2.5 0.4       
assign (resid   26 and name HB   )(resid   27 and name HN   ) 2.5 2.5 0.4       
assign (resid   31 and name HB*  )(resid   32 and name HN   ) 3.0 3.0 0.5       
assign (resid   33 and name HB*  )(resid   34 and name HN   ) 3.0 3.0 0.5       
!misc pro                                                                       
assign (resid    3 and name HA   )(resid    4 and name HD*  ) 4.0 4.0 1.0       
assign (resid    3 and name HN   )(resid    4 and name HD*  ) 3.0 3.0 0.5       
assign (resid   23 and name HA   )(resid   24 and name HD*  ) 3.0 3.0 0.5       
assign (resid   23 and name HN   )(resid   24 and name HD*  ) 3.0 3.0 0.5       
clas short                                                                      
!HA(i)-HN(i+3)                                                                  
assign (resid    3 and name HA   )(resid    6 and name HN   ) 4.0 4.0 1.0       
assign (resid    6 and name HA   )(resid    9 and name HN   ) 4.0 4.0 1.0       
assign (resid    7 and name HA   )(resid   10 and name HN   ) 4.0 4.0 1.0       
assign (resid   10 and name HA   )(resid   13 and name HN   ) 4.0 4.0 1.0       
assign (resid   12 and name HA   )(resid   15 and name HN   ) 4.0 4.0 1.0       
assign (resid   14 and name HA   )(resid   17 and name HN   ) 4.0 4.0 1.0       
assign (resid   16 and name HA   )(resid   19 and name HN   ) 4.0 4.0 1.0       
assign (resid   18 and name HA   )(resid   21 and name HN   ) 4.0 4.0 1.0       
assign (resid   21 and name HA   )(resid   24 and name HN   ) 4.0 4.0 1.0       
!HA(i)-HN(i+4)                                                                  
assign (resid    8 and name HA   )(resid   12 and name HN   ) 4.0 4.0 1.0       
assign (resid    9 and name HA   )(resid   13 and name HN   ) 4.0 4.0 1.0       
assign (resid   13 and name HA   )(resid   17 and name HN   ) 4.0 4.0 1.0       
assign (resid   14 and name HA   )(resid   18 and name HN   ) 4.0 4.0 1.0       
assign (resid   15 and name HA   )(resid   19 and name HN   ) 4.0 4.0 1.0       
assign (resid   16 and name HA   )(resid   20 and name HN   ) 4.0 4.0 1.0       
assign (resid   18 and name HA   )(resid   22 and name HN   ) 4.0 4.0 1.0       
!HA(i)-HB(i+3)                                                                  
assign (resid    3 and name HA   )(resid    6 and name HB*  ) 4.0 4.0 1.0       
assign (resid    6 and name HA   )(resid    9 and name HB*  ) 4.0 4.0 1.0       
assign (resid    7 and name HA   )(resid   10 and name HB   ) 4.0 4.0 1.0       
assign (resid   10 and name HA   )(resid   13 and name HB   ) 2.5 2.5 0.4       
assign (resid   11 and name HA   )(resid   14 and name HB   ) 2.5 2.5 0.4       
assign (resid   12 and name HA   )(resid   15 and name HB*  ) 4.0 4.0 1.0       
assign (resid   14 and name HA   )(resid   17 and name HB*  ) 2.5 2.5 0.4       
assign (resid   16 and name HA   )(resid   19 and name HB*  ) 2.5 2.5 0.4       
assign (resid   17 and name HA   )(resid   20 and name HB*  ) 4.0 4.0 1.0       
assign (resid   18 and name HA   )(resid   21 and name HB*  ) 4.0 4.0 1.0       
assign (resid   21 and name HA   )(resid   24 and name HB*  ) 3.0 3.0 0.5       
assign (resid   22 and name HA   )(resid   25 and name HB   ) 3.0 3.0 0.5       
assign (resid   24 and name HA   )(resid   27 and name HB*  ) 4.0 4.0 1.0       
!misc.                                                                          
assign (resid    3 and name HD*  )(resid    4 and name HD*  ) 4.0 4.0 1.0       
clas intra                                                                      
!HN(i)-HA(i)                                                                    
assign (resid    2 and name HN   )(resid    2 and name HA   ) 2.5 2.5 0.4       
assign (resid    3 and name HN   )(resid    3 and name HA   ) 2.5 2.5 0.4       
assign (resid    5 and name HN   )(resid    5 and name HA   ) 2.5 2.5 0.4       
assign (resid    6 and name HN   )(resid    6 and name HA   ) 2.5 2.5 0.4       
assign (resid    7 and name HN   )(resid    7 and name HA   ) 2.5 2.5 0.4       
assign (resid    8 and name HN   )(resid    8 and name HA   ) 2.5 2.5 0.4       
assign (resid    9 and name HN   )(resid    9 and name HA   ) 2.5 2.5 0.4       
assign (resid   10 and name HN   )(resid   10 and name HA   ) 2.5 2.5 0.4       
assign (resid   11 and name HN   )(resid   11 and name HA   ) 2.5 2.5 0.4       
assign (resid   12 and name HN   )(resid   12 and name HA   ) 2.5 2.5 0.4       
assign (resid   13 and name HN   )(resid   13 and name HA   ) 3.0 3.0 0.5       
assign (resid   14 and name HN   )(resid   14 and name HA   ) 2.5 2.5 0.4       
assign (resid   15 and name HN   )(resid   15 and name HA   ) 2.5 2.5 0.4       
assign (resid   16 and name HN   )(resid   16 and name HA   ) 2.5 2.5 0.4       
assign (resid   17 and name HN   )(resid   17 and name HA   ) 2.5 2.5 0.4       
assign (resid   18 and name HN   )(resid   18 and name HA   ) 2.5 2.5 0.4       
assign (resid   19 and name HN   )(resid   19 and name HA   ) 2.5 2.5 0.4       
assign (resid   20 and name HN   )(resid   20 and name HA   ) 2.5 2.5 0.4       
assign (resid   21 and name HN   )(resid   21 and name HA   ) 2.5 2.5 0.4       
assign (resid   22 and name HN   )(resid   22 and name HA   ) 2.5 2.5 0.4       
assign (resid   24 and name HN   )(resid   24 and name HA   ) 2.5 2.5 0.4       
assign (resid   25 and name HN   )(resid   25 and name HA   ) 2.5 2.5 0.4       
assign (resid   26 and name HN   )(resid   26 and name HA   ) 2.5 2.5 0.4       
assign (resid   27 and name HN   )(resid   27 and name HA   ) 2.5 2.5 0.4       
assign (resid   28 and name HN   )(resid   28 and name HA1  ) 2.5 2.5 0.4       
assign (resid   28 and name HN   )(resid   28 and name HA2  ) 2.5 2.5 0.4       
assign (resid   29 and name HN   )(resid   29 and name HA1  ) 2.5 2.5 0.4       
assign (resid   29 and name HN   )(resid   29 and name HA2  ) 2.5 2.5 0.4       
assign (resid   30 and name HN   )(resid   30 and name HA   ) 3.0 3.0 0.5       
assign (resid   31 and name HN   )(resid   31 and name HA   ) 3.0 3.0 0.5       
assign (resid   32 and name HN   )(resid   32 and name HA   ) 2.5 2.5 0.4       
assign (resid   33 and name HN   )(resid   33 and name HA   ) 2.5 2.5 0.4       
assign (resid   34 and name HN   )(resid   34 and name HA   ) 2.5 2.5 0.4       
!HN(i)-HB(i)                                                                    
!assign (resid    2 and name HN   )(resid    2 and name HB1  ) 3.0 3.0 0.5      
assign (resid    3 and name HN   )(resid    3 and name HB*  ) 3.0 3.0 0.5       
assign (resid    5 and name HN   )(resid    5 and name HB1  ) 2.5 2.5 0.4       
assign (resid    5 and name HN   )(resid    5 and name HB2  ) 2.5 2.5 0.4       
assign (resid    6 and name HN   )(resid    6 and name HB1  ) 2.5 2.5 0.4       
assign (resid    6 and name HN   )(resid    6 and name HB2  ) 2.5 2.5 0.4       
assign (resid   10 and name HN   )(resid   10 and name HB   ) 2.5 2.5 0.4       
assign (resid   11 and name HN   )(resid   11 and name HB   ) 3.0 3.0 0.5       
assign (resid   12 and name HN   )(resid   12 and name HB1  ) 3.0 3.0 0.5       
assign (resid   12 and name HN   )(resid   12 and name HB2  ) 3.0 3.0 0.5       
assign (resid   13 and name HN   )(resid   13 and name HB   ) 2.5 2.5 0.4       
assign (resid   14 and name HN   )(resid   14 and name HB   ) 2.5 2.5 0.4       
assign (resid   15 and name HN   )(resid   15 and name HB1  ) 2.5 2.5 0.4       
assign (resid   15 and name HN   )(resid   15 and name HB2  ) 2.5 2.5 0.4       
assign (resid   16 and name HN   )(resid   16 and name HB   ) 2.5 2.5 0.4       
assign (resid   17 and name HN   )(resid   17 and name HB*  ) 2.5 2.5 0.4       
assign (resid   18 and name HN   )(resid   18 and name HB*  ) 2.5 2.5 0.4       
assign (resid   19 and name HN   )(resid   19 and name HB*  ) 2.5 2.5 0.4       
assign (resid   20 and name HN   )(resid   20 and name HB*  ) 2.5 2.5 0.4       
assign (resid   21 and name HN   )(resid   21 and name HB*  ) 2.5 2.5 0.4       
assign (resid   22 and name HN   )(resid   22 and name HB*  ) 3.0 3.0 0.5       
assign (resid   24 and name HN   )(resid   24 and name HB*  ) 2.5 2.5 0.4       
assign (resid   25 and name HN   )(resid   25 and name HB   ) 2.5 2.5 0.4       
assign (resid   26 and name HN   )(resid   26 and name HB   ) 2.5 2.5 0.4       
assign (resid   27 and name HN   )(resid   27 and name HB*  ) 2.5 2.5 0.4       
assign (resid   33 and name HN   )(resid   33 and name HB*  ) 3.0 3.0 0.5       
assign (resid   34 and name HN   )(resid   34 and name HB*  ) 3.0 3.0 0.5       
!HA(i)-HB(i)                                                                    
assign (resid   11 and name HA   )(resid   11 and name HB   ) 3.0 3.0 0.5       
assign (resid   18 and name HA   )(resid   18 and name HB*  ) 2.5 2.5 0.4       
assign (resid   13 and name HA   )(resid   13 and name HB   ) 2.5 2.5 0.4       
!LYs                                                                            
assign (resid   34 and name HN   )(resid   34 and name HG*  ) 4.0 4.0 1.0       
assign (resid   34 and name HN   )(resid   34 and name HB*  ) 3.0 3.0 0.5       
!assign (resid   34 and nameHE*  )(resid   34 and name HZ*  ) 3.0 3.0 0.5       
!Val                                                                            
assign (resid   13 and name HA   )(resid   13 and name HG1* ) 4.0 4.0 1.0       
assign (resid   13 and name HA   )(resid   13 and name HG2* ) 4.0 4.0 1.0       
assign (resid   13 and name HN   )(resid   13 and name HG1* ) 4.0 4.0 1.0       
assign (resid   13 and name HN   )(resid   13 and name HG2* ) 4.0 4.0 1.0       
assign (resid   13 and name HB   )(resid   13 and name HG1* ) 2.5 2.5 1.0       
assign (resid   13 and name HB   )(resid   13 and name HG2* ) 2.5 2.5 1.0       
assign (resid   13 and name HG1* )(resid   13 and name HG2* ) 2.5 2.5 1.0       
!Leu                                                                            
assign (resid    7 and  name HN   )(resid    7 and  name HD*  ) 4.0 4.0 2.0     
assign (resid    7 and  name HA   )(resid    7 and  name HD*  ) 4.0 4.0 2.0     
assign (resid    7 and  name HG   )(resid    7 and  name HD1* ) 2.5 2.5 1.5     
assign (resid    7 and  name HG   )(resid    7 and  name HD2* ) 2.5 2.5 1.5     
assign (resid   21 and  name HN   )(resid   21 and  name HG   ) 4.0 4.0 1.0     
assign (resid   21 and  name HA   )(resid   21 and  name HG   ) 3.5 3.5 1.0     
assign (resid   21 and  name HB1  )(resid   21 and  name HB2  ) 2.5 2.5 0.5     
assign (resid   21 and  name HB*  )(resid   21 and  name HG   ) 3.5 3.5 1.0     
assign (resid   30 and  name HG   )(resid   30 and  name HD2* ) 2.5 2.5 1.5     
assign (resid   30 and  name HG   )(resid   30 and  name HD1* ) 2.5 2.5 1.5     
assign (resid   31 and  name HG   )(resid   31 and  name HD1* ) 2.5 2.5 0.5     
assign (resid   31 and  name HG   )(resid   31 and  name HD2* ) 2.5 2.5 0.5     
!ile                                                                            
assign (resid   10 and  name HN   )(resid   10 and  name HG1* ) 3.5 3.5 1.5     
assign (resid   10 and  name HN   )(resid   10 and  name HG2* ) 3.5 3.5 1.5     
assign (resid   10 and  name HA   )(resid   10 and  name HG1* ) 3.5 3.5 1.0     
assign (resid   10 and  name HA   )(resid   10 and  name HG2* ) 3.5 3.5 1.5     
assign (resid   10 and  name HG11 )(resid   10 and  name HG12 ) 2.5 2.5 0.5     
assign (resid   14 and  name HN   )(resid   14 and  name HG1* ) 3.5 3.5 1.5     
assign (resid   14 and  name HN   )(resid   14 and  name HG2* ) 3.5 3.5 1.5     
assign (resid   14 and  name HA   )(resid   14 and  name HG1* ) 3.5 3.5 1.5     
assign (resid   14 and  name HA   )(resid   14 and  name HG2* ) 3.5 3.5 1.5     
assign (resid   14 and  name HG11 )(resid   14 and  name HG12 ) 2.5 2.5 0.5     
assign (resid   16 and  name HN   )(resid   16 and  name HG1* ) 3.5 3.5 1.5     
assign (resid   16 and  name HN   )(resid   16 and  name HG2* ) 3.5 3.5 1.5     
assign (resid   16 and  name HA   )(resid   16 and  name HG1* ) 3.5 3.5 1.5     
assign (resid   16 and  name HA   )(resid   16 and  name HG2* ) 3.5 3.5 1.5     
assign (resid   16 and  name HG11 )(resid   16 and  name HG12 ) 2.5 2.5 0.5     
assign (resid   25 and  name HN   )(resid   25 and  name HG1* ) 3.5 3.5 1.5     
!Pro                                                                            
assign (resid    4 and name HB1  )(resid    4 and name HB2  ) 2.5 2.5 0.4       
assign (resid    4 and name HD1  )(resid    4 and name HD2  ) 2.5 2.5 0.4       
assign (resid   23 and name HB1  )(resid   23 and name HB2  ) 2.5 2.5 0.4       
assign (resid   23 and name HD1  )(resid   23 and name HD2  ) 2.5 2.5 0.4       
! aromatics                                                                     
assign (resid    3 and name HB*  )(resid    3 and name HD*  ) 3.5 3.5 0.5       
assign (resid    5 and name HB*  )(resid    5 and name HD*  ) 3.5 3.5 0.5       
assign (resid    6 and name HA   )(resid    6 and name HD*  ) 3.5 3.5 0.5       
assign (resid    5 and name HA   )(resid    5 and name HD*  ) 4.0 4.0 1.0       
! glycine                                                                       
assign (resid   28 and  name HA1  )(resid   28 and  name HA2  ) 1.8 1.8 0.2     
assign (resid   29 and  name HA1  )(resid   29 and  name HA2  ) 1.8 1.8 0.2     
assign (resid   32 and  name HA1  )(resid   32 and  name HA2  ) 1.8 1.8 0.2     
!threonines                                                                     
assign (resid   11 and  name HN   )(resid   11 and  name HG2* ) 3.5 3.5 1.0     
assign (resid   26 and  name HN   )(resid   26 and  name HG2* ) 3.5 3.5 1.0     
!hydrogen bonds                                                                 
clas hbon                                                                       
assign (resid    7 and  name O    )(resid   11 and  name N    ) 3.3 3.3 0.2     
assign (resid    8 and  name O    )(resid   12 and  name N    ) 3.3 3.3 0.2     
assign (resid    9 and  name O    )(resid   13 and  name N    ) 3.3 3.3 0.2     
assign (resid   10 and  name O    )(resid   14 and  name N    ) 3.3 3.3 0.2     
assign (resid   11 and  name O    )(resid   15 and  name N    ) 3.3 3.3 0.2     
assign (resid   12 and  name O    )(resid   16 and  name N    ) 3.3 3.3 0.2     
assign (resid   13 and  name O    )(resid   17 and  name N    ) 3.3 3.3 0.2     
assign (resid   14 and  name O    )(resid   18 and  name N    ) 3.3 3.3 0.2     
assign (resid   15 and  name O    )(resid   19 and  name N    ) 3.3 3.3 0.2     
assign (resid   16 and  name O    )(resid   20 and  name N    ) 3.3 3.3 0.2     
assign (resid    7 and  name O    )(resid   11 and  name HN   ) 2.3 2.3 0.2     
assign (resid    8 and  name O    )(resid   12 and  name HN   ) 2.3 2.3 0.2     
assign (resid    9 and  name O    )(resid   13 and  name HN   ) 2.3 2.3 0.2     
assign (resid   10 and  name O    )(resid   14 and  name HN   ) 2.3 2.3 0.2     
assign (resid   11 and  name O    )(resid   15 and  name HN   ) 2.3 2.3 0.2     
assign (resid   12 and  name O    )(resid   16 and  name HN   ) 2.3 2.3 0.2     
assign (resid   13 and  name O    )(resid   17 and  name HN   ) 2.3 2.3 0.2     
assign (resid   14 and  name O    )(resid   18 and  name HN   ) 2.3 2.3 0.2     
assign (resid   15 and  name O    )(resid   19 and  name HN   ) 2.3 2.3 0.2     
assign (resid   16 and  name O    )(resid   20 and  name HN   ) 2.3 2.3 0.2     
set message=on echo=on end                                                      


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE   1          HA1       ACE   1   4.214  -0.369   9.894
    2   2H    ACE   1          HA2       ACE   1   3.576  -1.187   8.467
    3   3H    ACE   1          HA3       ACE   1   2.473  -0.573   9.699
    4    H    ARG   2           H        ARG   2   4.442   1.841   9.820
    5    HA   ARG   2           HA       ARG   2   3.267   3.264   7.481
    6   1HB   ARG   2          1HB       ARG   2   3.158   3.833  10.259
    7   2HB   ARG   2          2HB       ARG   2   4.187   5.066   9.533
    8   1HG   ARG   2          1HG       ARG   2   2.096   6.028   9.214
    9   2HG   ARG   2          2HG       ARG   2   2.264   5.129   7.705
   10   1HD   ARG   2          1HD       ARG   2   1.149   3.177   9.048
   11   2HD   ARG   2          2HD       ARG   2   0.605   4.464  10.124
   12    HE   ARG   2           HE       ARG   2  -0.257   5.485   7.824
   13   1HH1  ARG   2          1HH2      ARG   2  -2.200   3.843   9.363
   14   2HH1  ARG   2          2HH2      ARG   2  -2.684   2.650   8.205
   15   1HH2  ARG   2          1HH1      ARG   2  -0.001   3.231   6.088
   16   2HH2  ARG   2          2HH1      ARG   2  -1.440   2.303   6.352
   17    H    TYR   3           H        TYR   3   6.189   2.131   8.735
   18    HA   TYR   3           HA       TYR   3   7.707   4.156   7.173
   19   1HB   TYR   3          1HB       TYR   3   8.521   2.666   9.681
   20   2HB   TYR   3          2HB       TYR   3   9.624   3.650   8.718
   21    HD1  TYR   3           HD1      TYR   3   8.371   6.029   8.004
   22    HD2  TYR   3           HD2      TYR   3   7.736   3.743  11.585
   23    HE1  TYR   3           HE1      TYR   3   7.564   8.068   9.163
   24    HE2  TYR   3           HE2      TYR   3   6.931   5.783  12.744
   25    HH   TYR   3           HH       TYR   3   7.428   8.864  11.597
   26    HA   PRO   4           HA       PRO   4   8.378  -0.071   5.231
   27   1HB   PRO   4          1HB       PRO   4   7.626   0.650   2.715
   28   2HB   PRO   4          2HB       PRO   4   6.495   0.053   3.924
   29   1HG   PRO   4          1HG       PRO   4   6.905   2.810   2.953
   30   2HG   PRO   4          2HG       PRO   4   5.431   2.028   3.548
   31   1HD   PRO   4          1HD       PRO   4   7.020   3.785   5.018
   32   2HD   PRO   4          2HD       PRO   4   5.827   2.663   5.687
   33    H    TYR   5           H        TYR   5   8.800   3.046   3.638
   34    HA   TYR   5           HA       TYR   5  11.031   2.457   2.019
   35   1HB   TYR   5          1HB       TYR   5   9.622   4.564   2.018
   36   2HB   TYR   5          2HB       TYR   5  10.550   5.099   3.417
   37    HD1  TYR   5           HD1      TYR   5  13.075   5.330   3.202
   38    HD2  TYR   5           HD2      TYR   5  10.487   4.763  -0.179
   39    HE1  TYR   5           HE1      TYR   5  14.859   6.166   1.695
   40    HE2  TYR   5           HE2      TYR   5  12.272   5.597  -1.685
   41    HH   TYR   5           HH       TYR   5  14.261   6.934  -1.614
   42    H    TYR   6           H        TYR   6  10.920   2.898   5.480
   43    HA   TYR   6           HA       TYR   6  13.727   3.579   5.790
   44   1HB   TYR   6          1HB       TYR   6  11.673   3.921   7.416
   45   2HB   TYR   6          2HB       TYR   6  12.130   2.317   7.986
   46    HD1  TYR   6           HD1      TYR   6  13.873   5.494   6.978
   47    HD2  TYR   6           HD2      TYR   6  13.576   2.270   9.802
   48    HE1  TYR   6           HE1      TYR   6  15.709   6.493   8.313
   49    HE2  TYR   6           HE2      TYR   6  15.414   3.269  11.136
   50    HH   TYR   6           HH       TYR   6  17.430   4.880  10.568
   51    H    LEU   7           H        LEU   7  11.903   0.563   5.766
   52    HA   LEU   7           HA       LEU   7  14.233  -0.982   6.678
   53   1HB   LEU   7          1HB       LEU   7  11.640  -1.369   7.127
   54   2HB   LEU   7          2HB       LEU   7  11.766  -2.292   5.630
   55    HG   LEU   7           HG       LEU   7  14.006  -3.122   7.036
   56   1HD1  LEU   7          1HD1      LEU   7  11.719  -2.572   8.935
   57   2HD1  LEU   7          2HD1      LEU   7  12.932  -3.808   9.268
   58   3HD1  LEU   7          3HD1      LEU   7  13.415  -2.119   9.111
   59   1HD2  LEU   7          1HD2      LEU   7  11.282  -4.197   6.474
   60   2HD2  LEU   7          2HD2      LEU   7  12.860  -4.839   6.018
   61   3HD2  LEU   7          3HD2      LEU   7  12.254  -5.071   7.658
   62    H    SER   8           H        SER   8  12.231  -0.840   3.707
   63    HA   SER   8           HA       SER   8  13.942  -2.736   2.325
   64   1HB   SER   8          1HB       SER   8  11.836  -0.904   1.168
   65   2HB   SER   8          2HB       SER   8  12.512  -2.341   0.407
   66    HG   SER   8           HG       SER   8  10.501  -2.735   1.462
   67    H    ASP   9           H        ASP   9  13.277   0.724   1.687
   68    HA   ASP   9           HA       ASP   9  15.275   0.982  -0.321
   69   1HB   ASP   9          1HB       ASP   9  13.563   2.795   1.228
   70   2HB   ASP   9          2HB       ASP   9  15.099   3.520   0.758
   71    H    ILE  10           H        ILE  10  15.612   0.921   3.150
   72    HA   ILE  10           HA       ILE  10  18.207   2.261   3.137
   73    HB   ILE  10           HB       ILE  10  16.512   2.082   5.095
   74   1HG1  ILE  10          1HG1      ILE  10  19.257   1.399   6.035
   75   2HG1  ILE  10          2HG1      ILE  10  19.075   2.809   4.990
   76   1HG2  ILE  10          1HG2      ILE  10  18.008  -0.517   5.506
   77   2HG2  ILE  10          2HG2      ILE  10  16.921   0.239   6.672
   78   3HG2  ILE  10          3HG2      ILE  10  16.291  -0.363   5.141
   79   1HD1  ILE  10          1HD1      ILE  10  17.003   3.185   6.733
   80   2HD1  ILE  10          2HD1      ILE  10  18.190   2.407   7.780
   81   3HD1  ILE  10          3HD1      ILE  10  18.604   3.897   6.933
   82    H    THR  11           H        THR  11  17.104  -1.103   3.444
   83    HA   THR  11           HA       THR  11  19.698  -2.296   3.617
   84    HB   THR  11           HB       THR  11  17.372  -3.629   2.236
   85    HG1  THR  11           HG1      THR  11  16.573  -4.078   4.314
   86   1HG2  THR  11          1HG2      THR  11  19.622  -4.510   4.054
   87   2HG2  THR  11          2HG2      THR  11  18.264  -5.553   3.634
   88   3HG2  THR  11          3HG2      THR  11  19.351  -4.972   2.373
   89    H    ASP  12           H        ASP  12  17.769  -1.253   0.850
   90    HA   ASP  12           HA       ASP  12  19.405  -2.526  -1.160
   91   1HB   ASP  12          1HB       ASP  12  17.202  -0.549  -1.094
   92   2HB   ASP  12          2HB       ASP  12  18.302  -0.392  -2.463
   93    H    VAL  13           H        VAL  13  19.467   0.606   0.457
   94    HA   VAL  13           HA       VAL  13  21.475   1.812  -1.204
   95    HB   VAL  13           HB       VAL  13  20.771   2.340   1.690
   96   1HG1  VAL  13          1HG1      VAL  13  22.565   3.703  -0.283
   97   2HG1  VAL  13          2HG1      VAL  13  21.647   4.701   0.846
   98   3HG1  VAL  13          3HG1      VAL  13  22.775   3.490   1.455
   99   1HG2  VAL  13          1HG2      VAL  13  19.107   2.583  -0.434
  100   2HG2  VAL  13          2HG2      VAL  13  19.053   3.666   0.957
  101   3HG2  VAL  13          3HG2      VAL  13  19.915   4.149  -0.503
  102    H    ILE  14           H        ILE  14  21.603  -0.229   1.674
  103    HA   ILE  14           HA       ILE  14  24.499   0.002   1.958
  104    HB   ILE  14           HB       ILE  14  22.577  -2.005   3.178
  105   1HG1  ILE  14          1HG1      ILE  14  23.683   0.482   4.487
  106   2HG1  ILE  14          2HG1      ILE  14  22.175   0.519   3.574
  107   1HG2  ILE  14          1HG2      ILE  14  24.989  -2.639   3.258
  108   2HG2  ILE  14          2HG2      ILE  14  25.342  -1.105   4.054
  109   3HG2  ILE  14          3HG2      ILE  14  24.331  -2.305   4.860
  110   1HD1  ILE  14          1HD1      ILE  14  22.571  -1.596   5.667
  111   2HD1  ILE  14          2HD1      ILE  14  22.120   0.036   6.162
  112   3HD1  ILE  14          3HD1      ILE  14  21.071  -0.879   5.078
  113    H    PHE  15           H        PHE  15  22.353  -1.946   0.058
  114    HA   PHE  15           HA       PHE  15  24.080  -4.251  -0.224
  115   1HB   PHE  15          1HB       PHE  15  21.625  -4.287  -0.663
  116   2HB   PHE  15          2HB       PHE  15  21.887  -3.260  -2.071
  117    HD1  PHE  15           HD1      PHE  15  23.663  -6.266  -0.674
  118    HD2  PHE  15           HD2      PHE  15  21.693  -4.474  -4.045
  119    HE1  PHE  15           HE1      PHE  15  24.184  -8.267  -2.044
  120    HE2  PHE  15           HE2      PHE  15  22.214  -6.474  -5.414
  121    HZ   PHE  15           HZ       PHE  15  23.459  -8.371  -4.413
  122    H    ILE  16           H        ILE  16  23.520  -1.339  -2.224
  123    HA   ILE  16           HA       ILE  16  25.622  -2.198  -4.101
  124    HB   ILE  16           HB       ILE  16  23.991   0.357  -4.080
  125   1HG1  ILE  16          1HG1      ILE  16  23.528  -2.119  -5.757
  126   2HG1  ILE  16          2HG1      ILE  16  22.708  -1.861  -4.217
  127   1HG2  ILE  16          1HG2      ILE  16  26.099   0.393  -5.421
  128   2HG2  ILE  16          2HG2      ILE  16  25.527  -1.021  -6.305
  129   3HG2  ILE  16          3HG2      ILE  16  24.655   0.508  -6.427
  130   1HD1  ILE  16          1HD1      ILE  16  22.171   0.510  -5.295
  131   2HD1  ILE  16          2HD1      ILE  16  22.401  -0.382  -6.799
  132   3HD1  ILE  16          3HD1      ILE  16  21.167  -0.897  -5.649
  133    H    TYR  17           H        TYR  17  25.312  -0.078  -1.347
  134    HA   TYR  17           HA       TYR  17  27.556   1.636  -2.003
  135   1HB   TYR  17          1HB       TYR  17  25.691   2.073  -0.276
  136   2HB   TYR  17          2HB       TYR  17  26.619   1.031   0.803
  137    HD1  TYR  17           HD1      TYR  17  28.954   1.648   1.439
  138    HD2  TYR  17           HD2      TYR  17  26.436   4.289  -0.829
  139    HE1  TYR  17           HE1      TYR  17  30.470   3.541   1.958
  140    HE2  TYR  17           HE2      TYR  17  27.953   6.181  -0.310
  141    HH   TYR  17           HH       TYR  17  30.563   6.322   0.326
  142    H    PHE  18           H        PHE  18  27.191  -1.385  -0.190
  143    HA   PHE  18           HA       PHE  18  30.057  -1.424   0.492
  144   1HB   PHE  18          1HB       PHE  18  27.645  -3.016   1.217
  145   2HB   PHE  18          2HB       PHE  18  29.199  -3.847   1.271
  146    HD1  PHE  18           HD1      PHE  18  27.275  -0.958   2.584
  147    HD2  PHE  18           HD2      PHE  18  30.843  -3.323   2.943
  148    HE1  PHE  18           HE1      PHE  18  27.789   0.145   4.745
  149    HE2  PHE  18           HE2      PHE  18  31.357  -2.220   5.104
  150    HZ   PHE  18           HZ       PHE  18  29.830  -0.487   6.005
  151    H    ALA  19           H        ALA  19  27.848  -2.844  -1.822
  152    HA   ALA  19           HA       ALA  19  29.511  -5.007  -2.713
  153   1HB   ALA  19          1HB       ALA  19  27.369  -3.422  -4.160
  154   2HB   ALA  19          2HB       ALA  19  28.069  -4.929  -4.750
  155   3HB   ALA  19          3HB       ALA  19  27.130  -4.918  -3.256
  156    H    ALA  20           H        ALA  20  28.919  -1.808  -4.168
  157    HA   ALA  20           HA       ALA  20  30.844  -2.002  -6.245
  158   1HB   ALA  20          1HB       ALA  20  28.970  -0.246  -5.806
  159   2HB   ALA  20          2HB       ALA  20  30.214   0.601  -4.886
  160   3HB   ALA  20          3HB       ALA  20  30.454   0.278  -6.604
  161    H    LEU  21           H        LEU  21  31.147  -0.412  -3.082
  162    HA   LEU  21           HA       LEU  21  33.930   0.272  -3.462
  163   1HB   LEU  21          1HB       LEU  21  32.083   0.262  -1.082
  164   2HB   LEU  21          2HB       LEU  21  33.795   0.655  -0.911
  165    HG   LEU  21           HG       LEU  21  31.930   2.034  -2.861
  166   1HD1  LEU  21          1HD1      LEU  21  32.910   2.900  -0.123
  167   2HD1  LEU  21          2HD1      LEU  21  32.040   3.934  -1.257
  168   3HD1  LEU  21          3HD1      LEU  21  31.243   2.523  -0.562
  169   1HD2  LEU  21          1HD2      LEU  21  34.825   2.187  -2.184
  170   2HD2  LEU  21          2HD2      LEU  21  34.009   2.512  -3.714
  171   3HD2  LEU  21          3HD2      LEU  21  33.998   3.725  -2.433
  172    H    SER  22           H        SER  22  32.406  -2.670  -2.461
  173    HA   SER  22           HA       SER  22  34.319  -3.719  -0.663
  174   1HB   SER  22          1HB       SER  22  32.406  -5.029  -0.850
  175   2HB   SER  22          2HB       SER  22  32.388  -4.948  -2.605
  176    HG   SER  22           HG       SER  22  33.920  -6.549  -0.878
  177    HA   PRO  23           HA       PRO  23  36.773  -5.586  -4.458
  178   1HB   PRO  23          1HB       PRO  23  36.150  -4.608  -6.934
  179   2HB   PRO  23          2HB       PRO  23  35.423  -6.053  -6.239
  180   1HG   PRO  23          1HG       PRO  23  34.295  -3.315  -6.463
  181   2HG   PRO  23          2HG       PRO  23  33.490  -4.885  -6.629
  182   1HD   PRO  23          1HD       PRO  23  33.316  -3.374  -4.372
  183   2HD   PRO  23          2HD       PRO  23  33.202  -5.138  -4.370
  184    H    ALA  24           H        ALA  24  35.681  -2.363  -5.437
  185    HA   ALA  24           HA       ALA  24  38.036  -1.247  -6.401
  186   1HB   ALA  24          1HB       ALA  24  35.730  -0.162  -6.204
  187   2HB   ALA  24          2HB       ALA  24  36.194   0.288  -4.563
  188   3HB   ALA  24          3HB       ALA  24  37.114   0.899  -5.939
  189    H    ILE  25           H        ILE  25  37.273  -1.921  -3.040
  190    HA   ILE  25           HA       ILE  25  39.508  -0.338  -2.006
  191    HB   ILE  25           HB       ILE  25  37.592  -2.315  -0.719
  192   1HG1  ILE  25          1HG1      ILE  25  37.946   0.666  -0.293
  193   2HG1  ILE  25          2HG1      ILE  25  36.802  -0.013  -1.449
  194   1HG2  ILE  25          1HG2      ILE  25  40.111  -1.119   0.306
  195   2HG2  ILE  25          2HG2      ILE  25  38.718  -0.967   1.377
  196   3HG2  ILE  25          3HG2      ILE  25  39.252  -2.562   0.843
  197   1HD1  ILE  25          1HD1      ILE  25  36.730  -1.100   1.326
  198   2HD1  ILE  25          2HD1      ILE  25  36.107   0.531   1.086
  199   3HD1  ILE  25          3HD1      ILE  25  35.406  -0.820   0.196
  200    H    THR  26           H        THR  26  38.835  -3.793  -2.584
  201    HA   THR  26           HA       THR  26  41.305  -4.769  -1.498
  202    HB   THR  26           HB       THR  26  39.959  -6.165  -3.783
  203    HG1  THR  26           HG1      THR  26  38.918  -5.988  -1.152
  204   1HG2  THR  26          1HG2      THR  26  41.286  -6.906  -1.181
  205   2HG2  THR  26          2HG2      THR  26  40.273  -8.060  -2.047
  206   3HG2  THR  26          3HG2      THR  26  41.717  -7.403  -2.817
  207    H    PHE  27           H        PHE  27  40.380  -4.584  -4.950
  208    HA   PHE  27           HA       PHE  27  43.002  -4.929  -5.975
  209   1HB   PHE  27          1HB       PHE  27  40.413  -3.913  -7.032
  210   2HB   PHE  27          2HB       PHE  27  41.859  -3.470  -7.938
  211    HD1  PHE  27           HD1      PHE  27  43.628  -5.578  -8.048
  212    HD2  PHE  27           HD2      PHE  27  39.350  -5.839  -7.774
  213    HE1  PHE  27           HE1      PHE  27  43.703  -7.846  -9.048
  214    HE2  PHE  27           HE2      PHE  27  39.424  -8.107  -8.773
  215    HZ   PHE  27           HZ       PHE  27  41.600  -9.111  -9.411
  216    H    GLY  28           H        GLY  28  44.616  -3.475  -6.561
  217   1HA   GLY  28          1HA       GLY  28  45.889  -1.511  -6.482
  218   2HA   GLY  28          2HA       GLY  28  44.365  -0.638  -6.639
  219    H    GLY  29           H        GLY  29  45.409   0.907  -5.124
  220   1HA   GLY  29          1HA       GLY  29  45.112   1.841  -2.951
  221   2HA   GLY  29          2HA       GLY  29  44.702   0.238  -2.347
  222    H    LEU  30           H        LEU  30  47.559   0.497  -4.305
  223    HA   LEU  30           HA       LEU  30  49.201  -0.179  -1.943
  224   1HB   LEU  30          1HB       LEU  30  49.257  -0.846  -4.722
  225   2HB   LEU  30          2HB       LEU  30  50.751   0.017  -4.363
  226    HG   LEU  30           HG       LEU  30  49.707  -2.313  -2.728
  227   1HD1  LEU  30          1HD1      LEU  30  51.550  -2.154  -5.096
  228   2HD1  LEU  30          2HD1      LEU  30  51.828  -3.379  -3.859
  229   3HD1  LEU  30          3HD1      LEU  30  50.300  -3.344  -4.738
  230   1HD2  LEU  30          1HD2      LEU  30  52.094  -0.509  -2.630
  231   2HD2  LEU  30          2HD2      LEU  30  51.159  -1.200  -1.304
  232   3HD2  LEU  30          3HD2      LEU  30  52.316  -2.200  -2.183
  233    H    LEU  31           H        LEU  31  49.779   1.954  -4.758
  234    HA   LEU  31           HA       LEU  31  51.592   3.646  -3.269
  235   1HB   LEU  31          1HB       LEU  31  50.794   3.312  -5.990
  236   2HB   LEU  31          2HB       LEU  31  50.527   5.004  -5.578
  237    HG   LEU  31           HG       LEU  31  53.110   3.506  -5.047
  238   1HD1  LEU  31          1HD1      LEU  31  52.441   3.916  -7.504
  239   2HD1  LEU  31          2HD1      LEU  31  52.649   5.630  -7.145
  240   3HD1  LEU  31          3HD1      LEU  31  54.014   4.525  -6.989
  241   1HD2  LEU  31          1HD2      LEU  31  52.490   5.496  -3.583
  242   2HD2  LEU  31          2HD2      LEU  31  54.003   5.663  -4.473
  243   3HD2  LEU  31          3HD2      LEU  31  52.550   6.484  -5.043
  244    H    GLY  32           H        GLY  32  48.453   4.498  -4.781
  245   1HA   GLY  32          1HA       GLY  32  48.148   6.704  -2.842
  246   2HA   GLY  32          2HA       GLY  32  47.105   6.395  -4.230
  247    H    GLU  33           H        GLU  33  46.875   6.564  -1.054
  248    HA   GLU  33           HA       GLU  33  45.513   4.033  -0.474
  249   1HB   GLU  33          1HB       GLU  33  46.849   5.606   1.162
  250   2HB   GLU  33          2HB       GLU  33  45.315   6.469   1.271
  251   1HG   GLU  33          1HG       GLU  33  44.262   4.746   2.362
  252   2HG   GLU  33          2HG       GLU  33  45.199   3.506   1.526
  253    H    LYS  34           H        LYS  34  44.638   7.396  -1.160
  254    HA   LYS  34           HA       LYS  34  41.968   6.554  -2.003
  255   1HB   LYS  34          1HB       LYS  34  41.969   6.938   0.585
  256   2HB   LYS  34          2HB       LYS  34  42.045   8.648   0.158
  257   1HG   LYS  34          1HG       LYS  34  40.071   7.820  -1.521
  258   2HG   LYS  34          2HG       LYS  34  39.820   6.715  -0.169
  259   1HD   LYS  34          1HD       LYS  34  38.491   8.706   0.222
  260   2HD   LYS  34          2HD       LYS  34  39.829   8.699   1.372
  261   1HE   LYS  34          1HE       LYS  34  40.821  10.523   0.428
  262   2HE   LYS  34          2HE       LYS  34  40.395  10.033  -1.211
  263   1HZ   LYS  34          1HZ       LYS  34  38.028  10.616  -0.521
  264   2HZ   LYS  34          2HZ       LYS  34  38.737  11.448   0.780
  265   3HZ   LYS  34          3HZ       LYS  34  39.096  11.899  -0.818
  Start of MODEL    2
    1   1H    ACE   1          HA1       ACE   1  21.963  -9.799 -21.932
    2   2H    ACE   1          HA2       ACE   1  20.526 -10.086 -22.914
    3   3H    ACE   1          HA3       ACE   1  21.512 -11.445 -22.375
    4    H    ARG   2           H        ARG   2  21.362 -12.113 -20.167
    5    HA   ARG   2           HA       ARG   2  18.778 -11.574 -18.936
    6   1HB   ARG   2          1HB       ARG   2  20.999 -13.473 -18.554
    7   2HB   ARG   2          2HB       ARG   2  20.209 -12.985 -17.060
    8   1HG   ARG   2          1HG       ARG   2  18.493 -13.737 -19.393
    9   2HG   ARG   2          2HG       ARG   2  19.269 -15.020 -18.465
   10   1HD   ARG   2          1HD       ARG   2  16.986 -14.444 -17.612
   11   2HD   ARG   2          2HD       ARG   2  18.252 -14.219 -16.406
   12    HE   ARG   2           HE       ARG   2  18.026 -11.816 -16.682
   13   1HH1  ARG   2          1HH1      ARG   2  17.038 -12.297 -19.635
   14   2HH1  ARG   2          2HH1      ARG   2  15.442 -11.637 -19.509
   15   1HH2  ARG   2          1HH2      ARG   2  15.453 -11.571 -16.043
   16   2HH2  ARG   2          2HH2      ARG   2  14.547 -11.224 -17.478
   17    H    TYR   3           H        TYR   3  21.969 -11.501 -17.341
   18    HA   TYR   3           HA       TYR   3  21.321  -8.795 -16.312
   19   1HB   TYR   3          1HB       TYR   3  22.241  -9.573 -14.048
   20   2HB   TYR   3          2HB       TYR   3  20.630 -10.137 -14.481
   21    HD1  TYR   3           HD1      TYR   3  20.238 -12.449 -15.154
   22    HD2  TYR   3           HD2      TYR   3  24.150 -11.108 -14.006
   23    HE1  TYR   3           HE1      TYR   3  20.980 -14.807 -14.931
   24    HE2  TYR   3           HE2      TYR   3  24.895 -13.464 -13.785
   25    HH   TYR   3           HH       TYR   3  23.295 -15.857 -13.303
   26    HA   PRO   4           HA       PRO   4  25.838  -9.334 -17.588
   27   1HB   PRO   4          1HB       PRO   4  25.794  -7.995 -19.963
   28   2HB   PRO   4          2HB       PRO   4  25.545  -9.742 -19.825
   29   1HG   PRO   4          1HG       PRO   4  23.593  -7.618 -20.412
   30   2HG   PRO   4          2HG       PRO   4  23.531  -9.346 -20.787
   31   1HD   PRO   4          1HD       PRO   4  22.170  -8.017 -18.676
   32   2HD   PRO   4          2HD       PRO   4  22.270  -9.758 -18.966
   33    H    TYR   5           H        TYR   5  24.494  -6.427 -19.127
   34    HA   TYR   5           HA       TYR   5  26.357  -4.677 -17.823
   35   1HB   TYR   5          1HB       TYR   5  24.962  -4.360 -20.026
   36   2HB   TYR   5          2HB       TYR   5  23.743  -3.695 -18.937
   37    HD1  TYR   5           HD1      TYR   5  24.251  -1.701 -17.547
   38    HD2  TYR   5           HD2      TYR   5  27.022  -3.189 -20.472
   39    HE1  TYR   5           HE1      TYR   5  25.499   0.440 -17.454
   40    HE2  TYR   5           HE2      TYR   5  28.270  -1.047 -20.379
   41    HH   TYR   5           HH       TYR   5  28.109   1.067 -18.009
   42    H    TYR   6           H        TYR   6  23.322  -6.006 -16.813
   43    HA   TYR   6           HA       TYR   6  22.405  -3.982 -15.034
   44   1HB   TYR   6          1HB       TYR   6  21.452  -6.378 -15.820
   45   2HB   TYR   6          2HB       TYR   6  22.113  -6.842 -14.256
   46    HD1  TYR   6           HD1      TYR   6  21.493  -5.266 -12.236
   47    HD2  TYR   6           HD2      TYR   6  19.325  -5.440 -15.938
   48    HE1  TYR   6           HE1      TYR   6  19.501  -4.291 -11.120
   49    HE2  TYR   6           HE2      TYR   6  17.336  -4.469 -14.822
   50    HH   TYR   6           HH       TYR   6  16.415  -4.285 -12.548
   51    H    LEU   7           H        LEU   7  24.820  -6.524 -14.701
   52    HA   LEU   7           HA       LEU   7  25.224  -6.415 -11.892
   53   1HB   LEU   7          1HB       LEU   7  26.178  -8.128 -13.473
   54   2HB   LEU   7          2HB       LEU   7  27.349  -6.915 -13.991
   55    HG   LEU   7           HG       LEU   7  28.061  -6.672 -11.594
   56   1HD1  LEU   7          1HD1      LEU   7  26.143  -8.996 -11.300
   57   2HD1  LEU   7          2HD1      LEU   7  27.397  -8.635 -10.114
   58   3HD1  LEU   7          3HD1      LEU   7  26.119  -7.462 -10.430
   59   1HD2  LEU   7          1HD2      LEU   7  28.948  -8.397 -13.435
   60   2HD2  LEU   7          2HD2      LEU   7  29.584  -8.402 -11.791
   61   3HD2  LEU   7          3HD2      LEU   7  28.352  -9.572 -12.264
   62    H    SER   8           H        SER   8  26.435  -4.337 -14.482
   63    HA   SER   8           HA       SER   8  28.421  -2.989 -12.874
   64   1HB   SER   8          1HB       SER   8  28.537  -1.392 -14.689
   65   2HB   SER   8          2HB       SER   8  28.361  -2.998 -15.389
   66    HG   SER   8           HG       SER   8  26.688  -2.173 -16.339
   67    H    ASP   9           H        ASP   9  24.981  -2.524 -13.411
   68    HA   ASP   9           HA       ASP   9  24.866   0.118 -12.214
   69   1HB   ASP   9          1HB       ASP   9  22.876  -1.948 -13.072
   70   2HB   ASP   9          2HB       ASP   9  22.340  -0.672 -11.978
   71    H    ILE  10           H        ILE  10  24.685  -3.180 -11.008
   72    HA   ILE  10           HA       ILE  10  23.681  -2.425  -8.377
   73    HB   ILE  10           HB       ILE  10  25.130  -4.962  -9.176
   74   1HG1  ILE  10          1HG1      ILE  10  23.194  -4.516 -10.666
   75   2HG1  ILE  10          2HG1      ILE  10  22.911  -5.912  -9.630
   76   1HG2  ILE  10          1HG2      ILE  10  23.721  -4.004  -6.760
   77   2HG2  ILE  10          2HG2      ILE  10  23.264  -5.623  -7.288
   78   3HG2  ILE  10          3HG2      ILE  10  24.951  -5.256  -6.927
   79   1HD1  ILE  10          1HD1      ILE  10  21.937  -3.118  -8.977
   80   2HD1  ILE  10          2HD1      ILE  10  20.954  -4.330  -9.792
   81   3HD1  ILE  10          3HD1      ILE  10  21.515  -4.614  -8.147
   82    H    THR  11           H        THR  11  26.849  -3.001  -9.835
   83    HA   THR  11           HA       THR  11  28.405  -3.066  -7.463
   84    HB   THR  11           HB       THR  11  30.184  -2.038  -9.110
   85    HG1  THR  11           HG1      THR  11  29.558  -1.895 -11.129
   86   1HG2  THR  11          1HG2      THR  11  28.914  -4.716  -8.978
   87   2HG2  THR  11          2HG2      THR  11  29.964  -4.422 -10.363
   88   3HG2  THR  11          3HG2      THR  11  30.597  -4.254  -8.725
   89    H    ASP  12           H        ASP  12  27.527  -0.302  -9.544
   90    HA   ASP  12           HA       ASP  12  28.880   1.698  -8.033
   91   1HB   ASP  12          1HB       ASP  12  27.596   1.765 -10.368
   92   2HB   ASP  12          2HB       ASP  12  26.282   2.357  -9.350
   93    H    VAL  13           H        VAL  13  25.540   0.505  -7.824
   94    HA   VAL  13           HA       VAL  13  24.684   2.276  -5.759
   95    HB   VAL  13           HB       VAL  13  23.721  -0.534  -6.293
   96   1HG1  VAL  13          1HG1      VAL  13  22.692   1.796  -4.710
   97   2HG1  VAL  13          2HG1      VAL  13  21.539   0.701  -5.473
   98   3HG1  VAL  13          3HG1      VAL  13  22.696   0.082  -4.293
   99   1HG2  VAL  13          1HG2      VAL  13  23.785   1.368  -8.178
  100   2HG2  VAL  13          2HG2      VAL  13  22.415   0.271  -8.022
  101   3HG2  VAL  13          3HG2      VAL  13  22.329   1.893  -7.335
  102    H    ILE  14           H        ILE  14  26.582  -0.665  -5.663
  103    HA   ILE  14           HA       ILE  14  26.216  -1.237  -2.865
  104    HB   ILE  14           HB       ILE  14  28.430  -1.959  -4.814
  105   1HG1  ILE  14          1HG1      ILE  14  26.481  -3.876  -3.587
  106   2HG1  ILE  14          2HG1      ILE  14  25.917  -2.826  -4.884
  107   1HG2  ILE  14          1HG2      ILE  14  27.988  -2.796  -1.935
  108   2HG2  ILE  14          2HG2      ILE  14  28.953  -3.749  -3.063
  109   3HG2  ILE  14          3HG2      ILE  14  29.447  -2.108  -2.647
  110   1HD1  ILE  14          1HD1      ILE  14  28.444  -3.857  -5.692
  111   2HD1  ILE  14          2HD1      ILE  14  27.504  -5.213  -5.078
  112   3HD1  ILE  14          3HD1      ILE  14  26.860  -4.217  -6.381
  113    H    PHE  15           H        PHE  15  28.494   0.790  -4.666
  114    HA   PHE  15           HA       PHE  15  30.264   1.409  -2.517
  115   1HB   PHE  15          1HB       PHE  15  30.244   2.013  -5.134
  116   2HB   PHE  15          2HB       PHE  15  29.600   3.527  -4.506
  117    HD1  PHE  15           HD1      PHE  15  30.907   4.736  -2.662
  118    HD2  PHE  15           HD2      PHE  15  32.541   1.497  -4.962
  119    HE1  PHE  15           HE1      PHE  15  33.198   5.420  -1.998
  120    HE2  PHE  15           HE2      PHE  15  34.831   2.181  -4.298
  121    HZ   PHE  15           HZ       PHE  15  35.160   4.142  -2.817
  122    H    ILE  16           H        ILE  16  27.470   3.269  -3.755
  123    HA   ILE  16           HA       ILE  16  27.500   5.117  -1.517
  124    HB   ILE  16           HB       ILE  16  25.254   4.550  -3.473
  125   1HG1  ILE  16          1HG1      ILE  16  26.487   6.855  -4.320
  126   2HG1  ILE  16          2HG1      ILE  16  27.867   5.911  -3.764
  127   1HG2  ILE  16          1HG2      ILE  16  25.610   6.414  -1.254
  128   2HG2  ILE  16          2HG2      ILE  16  25.313   7.262  -2.772
  129   3HG2  ILE  16          3HG2      ILE  16  24.163   6.058  -2.196
  130   1HD1  ILE  16          1HD1      ILE  16  26.208   4.116  -5.205
  131   2HD1  ILE  16          2HD1      ILE  16  26.317   5.585  -6.174
  132   3HD1  ILE  16          3HD1      ILE  16  27.785   4.742  -5.685
  133    H    TYR  17           H        TYR  17  26.388   1.898  -1.794
  134    HA   TYR  17           HA       TYR  17  24.054   2.089  -0.096
  135   1HB   TYR  17          1HB       TYR  17  24.421   0.189  -1.636
  136   2HB   TYR  17          2HB       TYR  17  25.842  -0.287  -0.712
  137    HD1  TYR  17           HD1      TYR  17  22.265   0.643  -0.005
  138    HD2  TYR  17           HD2      TYR  17  25.530  -2.035   0.778
  139    HE1  TYR  17           HE1      TYR  17  20.827  -0.658   1.541
  140    HE2  TYR  17           HE2      TYR  17  24.094  -3.336   2.324
  141    HH   TYR  17           HH       TYR  17  21.781  -2.536   3.790
  142    H    PHE  18           H        PHE  18  27.135   0.425   0.630
  143    HA   PHE  18           HA       PHE  18  26.777   0.450   3.450
  144   1HB   PHE  18          1HB       PHE  18  29.070   0.009   1.597
  145   2HB   PHE  18          2HB       PHE  18  29.456   0.349   3.284
  146    HD1  PHE  18           HD1      PHE  18  28.033  -0.997   5.063
  147    HD2  PHE  18           HD2      PHE  18  28.583  -2.192   0.973
  148    HE1  PHE  18           HE1      PHE  18  27.466  -3.335   5.669
  149    HE2  PHE  18           HE2      PHE  18  28.015  -4.529   1.580
  150    HZ   PHE  18           HZ       PHE  18  27.458  -5.100   3.928
  151    H    ALA  19           H        ALA  19  28.154   2.848   1.275
  152    HA   ALA  19           HA       ALA  19  29.518   4.481   3.159
  153   1HB   ALA  19          1HB       ALA  19  28.088   5.155   0.580
  154   2HB   ALA  19          2HB       ALA  19  29.047   6.327   1.485
  155   3HB   ALA  19          3HB       ALA  19  29.816   4.888   0.814
  156    H    ALA  20           H        ALA  20  26.201   4.862   1.903
  157    HA   ALA  20           HA       ALA  20  25.405   7.073   3.455
  158   1HB   ALA  20          1HB       ALA  20  24.147   5.857   1.579
  159   2HB   ALA  20          2HB       ALA  20  23.575   4.762   2.839
  160   3HB   ALA  20          3HB       ALA  20  23.179   6.479   2.917
  161    H    LEU  21           H        LEU  21  25.141   3.642   4.243
  162    HA   LEU  21           HA       LEU  21  23.839   4.042   6.782
  163   1HB   LEU  21          1HB       LEU  21  25.367   1.693   5.640
  164   2HB   LEU  21          2HB       LEU  21  24.468   1.636   7.157
  165    HG   LEU  21           HG       LEU  21  23.202   2.511   4.555
  166   1HD1  LEU  21          1HD1      LEU  21  24.197   0.053   4.751
  167   2HD1  LEU  21          2HD1      LEU  21  22.741  -0.212   5.712
  168   3HD1  LEU  21          3HD1      LEU  21  22.607   0.332   4.040
  169   1HD2  LEU  21          1HD2      LEU  21  22.314   1.949   7.349
  170   2HD2  LEU  21          2HD2      LEU  21  21.739   3.169   6.213
  171   3HD2  LEU  21          3HD2      LEU  21  21.218   1.492   6.045
  172    H    SER  22           H        SER  22  27.183   4.222   5.847
  173    HA   SER  22           HA       SER  22  28.475   3.476   8.250
  174   1HB   SER  22          1HB       SER  22  29.170   4.915   5.841
  175   2HB   SER  22          2HB       SER  22  29.929   5.667   7.240
  176    HG   SER  22           HG       SER  22  29.984   2.901   6.585
  177    HA   PRO  23           HA       PRO  23  28.182   8.095   9.788
  178   1HB   PRO  23          1HB       PRO  23  26.534   9.781   8.409
  179   2HB   PRO  23          2HB       PRO  23  28.250   9.588   8.063
  180   1HG   PRO  23          1HG       PRO  23  25.914   8.488   6.608
  181   2HG   PRO  23          2HG       PRO  23  27.472   9.056   5.982
  182   1HD   PRO  23          1HD       PRO  23  26.841   6.407   6.304
  183   2HD   PRO  23          2HD       PRO  23  28.493   7.034   6.310
  184    H    ALA  24           H        ALA  24  25.127   7.459   8.109
  185    HA   ALA  24           HA       ALA  24  23.294   8.335  10.021
  186   1HB   ALA  24          1HB       ALA  24  23.157   5.960   8.155
  187   2HB   ALA  24          2HB       ALA  24  21.785   6.474   9.137
  188   3HB   ALA  24          3HB       ALA  24  22.458   7.562   7.923
  189    H    ILE  25           H        ILE  25  25.274   5.450  10.150
  190    HA   ILE  25           HA       ILE  25  23.811   4.385  12.478
  191    HB   ILE  25           HB       ILE  25  26.255   3.391  10.974
  192   1HG1  ILE  25          1HG1      ILE  25  23.455   2.247  11.143
  193   2HG1  ILE  25          2HG1      ILE  25  23.990   3.310   9.841
  194   1HG2  ILE  25          1HG2      ILE  25  24.870   2.404  13.450
  195   2HG2  ILE  25          2HG2      ILE  25  25.538   1.228  12.318
  196   3HG2  ILE  25          3HG2      ILE  25  26.592   2.426  13.070
  197   1HD1  ILE  25          1HD1      ILE  25  25.891   1.679   9.434
  198   2HD1  ILE  25          2HD1      ILE  25  25.089   0.581  10.557
  199   3HD1  ILE  25          3HD1      ILE  25  24.284   1.055   9.061
  200    H    THR  26           H        THR  26  26.879   5.980  11.713
  201    HA   THR  26           HA       THR  26  28.220   5.660  14.183
  202    HB   THR  26           HB       THR  26  28.302   8.209  12.564
  203    HG1  THR  26           HG1      THR  26  29.559   7.178  11.116
  204   1HG2  THR  26          1HG2      THR  26  29.592   7.926  14.745
  205   2HG2  THR  26          2HG2      THR  26  30.525   6.676  13.921
  206   3HG2  THR  26          3HG2      THR  26  30.561   8.336  13.329
  207    H    PHE  27           H        PHE  27  25.766   8.048  13.233
  208    HA   PHE  27           HA       PHE  27  25.932   9.494  15.758
  209   1HB   PHE  27          1HB       PHE  27  25.095  10.353  13.441
  210   2HB   PHE  27          2HB       PHE  27  23.570   9.592  13.892
  211    HD1  PHE  27           HD1      PHE  27  22.299  10.370  15.856
  212    HD2  PHE  27           HD2      PHE  27  25.920  12.314  14.608
  213    HE1  PHE  27           HE1      PHE  27  21.746  12.318  17.287
  214    HE2  PHE  27           HE2      PHE  27  25.366  14.264  16.039
  215    HZ   PHE  27           HZ       PHE  27  23.279  14.265  17.379
  216    H    GLY  28           H        GLY  28  25.386   8.283  17.542
  217   1HA   GLY  28          1HA       GLY  28  23.425   7.694  18.937
  218   2HA   GLY  28          2HA       GLY  28  22.712   6.968  17.500
  219    H    GLY  29           H        GLY  29  24.767   6.433  20.199
  220   1HA   GLY  29          1HA       GLY  29  25.112   4.139  20.983
  221   2HA   GLY  29          2HA       GLY  29  25.171   3.628  19.298
  222    H    LEU  30           H        LEU  30  26.908   5.732  21.600
  223    HA   LEU  30           HA       LEU  30  29.305   5.971  20.069
  224   1HB   LEU  30          1HB       LEU  30  28.672   7.346  22.094
  225   2HB   LEU  30          2HB       LEU  30  29.105   5.958  23.092
  226    HG   LEU  30           HG       LEU  30  31.343   6.057  21.673
  227   1HD1  LEU  30          1HD1      LEU  30  30.251   8.884  21.552
  228   2HD1  LEU  30          2HD1      LEU  30  31.933   8.457  21.236
  229   3HD1  LEU  30          3HD1      LEU  30  30.655   7.850  20.182
  230   1HD2  LEU  30          1HD2      LEU  30  30.444   7.515  24.111
  231   2HD2  LEU  30          2HD2      LEU  30  31.719   6.311  23.928
  232   3HD2  LEU  30          3HD2      LEU  30  32.007   7.982  23.442
  233    H    LEU  31           H        LEU  31  30.951   4.541  19.723
  234    HA   LEU  31           HA       LEU  31  30.717   1.837  20.867
  235   1HB   LEU  31          1HB       LEU  31  31.554   2.783  18.418
  236   2HB   LEU  31          2HB       LEU  31  33.089   2.449  19.218
  237    HG   LEU  31           HG       LEU  31  32.089   0.174  19.852
  238   1HD1  LEU  31          1HD1      LEU  31  29.744   1.158  19.090
  239   2HD1  LEU  31          2HD1      LEU  31  30.262   0.564  17.511
  240   3HD1  LEU  31          3HD1      LEU  31  30.119  -0.552  18.870
  241   1HD2  LEU  31          1HD2      LEU  31  33.728   0.725  17.931
  242   2HD2  LEU  31          2HD2      LEU  31  32.847  -0.798  17.823
  243   3HD2  LEU  31          3HD2      LEU  31  32.327   0.591  16.869
  244    H    GLY  32           H        GLY  32  32.835   4.652  21.104
  245   1HA   GLY  32          1HA       GLY  32  33.791   3.988  23.697
  246   2HA   GLY  32          2HA       GLY  32  34.992   3.446  22.524
  247    H    GLU  33           H        GLU  33  35.544   5.498  24.386
  248    HA   GLU  33           HA       GLU  33  35.182   8.115  23.178
  249   1HB   GLU  33          1HB       GLU  33  37.096   7.165  25.334
  250   2HB   GLU  33          2HB       GLU  33  36.821   8.852  24.903
  251   1HG   GLU  33          1HG       GLU  33  34.256   7.676  25.322
  252   2HG   GLU  33          2HG       GLU  33  35.279   7.177  26.668
  253    H    LYS  34           H        LYS  34  37.823   5.738  23.282
  254    HA   LYS  34           HA       LYS  34  38.958   6.930  20.843
  255   1HB   LYS  34          1HB       LYS  34  40.244   7.084  23.534
  256   2HB   LYS  34          2HB       LYS  34  41.283   6.732  22.152
  257   1HG   LYS  34          1HG       LYS  34  40.304   8.733  20.990
  258   2HG   LYS  34          2HG       LYS  34  39.447   9.121  22.482
  259   1HD   LYS  34          1HD       LYS  34  42.453   8.780  22.318
  260   2HD   LYS  34          2HD       LYS  34  41.640  10.341  22.202
  261   1HE   LYS  34          1HE       LYS  34  40.468   9.480  24.440
  262   2HE   LYS  34          2HE       LYS  34  41.952   8.536  24.562
  263   1HZ   LYS  34          1HZ       LYS  34  41.832  11.475  24.153
  264   2HZ   LYS  34          2HZ       LYS  34  42.137  10.710  25.639
  265   3HZ   LYS  34          3HZ       LYS  34  43.239  10.546  24.360
  Start of MODEL    3
    1   1H    ACE   1          HA1       ACE   1  27.521  24.809   7.264
    2   2H    ACE   1          HA2       ACE   1  26.281  25.120   8.479
    3   3H    ACE   1          HA3       ACE   1  26.291  23.590   7.601
    4    H    ARG   2           H        ARG   2  26.730  22.087   9.172
    5    HA   ARG   2           HA       ARG   2  29.057  22.598  10.961
    6   1HB   ARG   2          1HB       ARG   2  26.585  20.901  11.348
    7   2HB   ARG   2          2HB       ARG   2  27.991  20.804  12.408
    8   1HG   ARG   2          1HG       ARG   2  27.707  23.421  12.533
    9   2HG   ARG   2          2HG       ARG   2  26.050  23.061  12.042
   10   1HD   ARG   2          1HD       ARG   2  25.965  22.999  14.403
   11   2HD   ARG   2          2HD       ARG   2  26.080  21.302  13.939
   12    HE   ARG   2           HE       ARG   2  28.342  21.270  14.750
   13   1HH1  ARG   2          1HH2      ARG   2  27.111  22.804  16.993
   14   2HH1  ARG   2          2HH2      ARG   2  28.165  24.172  17.128
   15   1HH2  ARG   2          1HH1      ARG   2  29.590  23.713  14.000
   16   2HH2  ARG   2          2HH1      ARG   2  29.569  24.687  15.432
   17    H    TYR   3           H        TYR   3  27.759  20.487   8.515
   18    HA   TYR   3           HA       TYR   3  30.287  19.000   8.472
   19   1HB   TYR   3          1HB       TYR   3  27.640  17.709   9.147
   20   2HB   TYR   3          2HB       TYR   3  28.988  16.789   8.478
   21    HD1  TYR   3           HD1      TYR   3  31.363  17.597   9.690
   22    HD2  TYR   3           HD2      TYR   3  27.447  17.535  11.455
   23    HE1  TYR   3           HE1      TYR   3  32.381  17.460  11.947
   24    HE2  TYR   3           HE2      TYR   3  28.465  17.398  13.711
   25    HH   TYR   3           HH       TYR   3  31.133  16.418  14.465
   26    HA   PRO   4           HA       PRO   4  28.439  19.623   4.279
   27   1HB   PRO   4          1HB       PRO   4  30.591  20.923   3.219
   28   2HB   PRO   4          2HB       PRO   4  29.273  21.743   4.062
   29   1HG   PRO   4          1HG       PRO   4  32.034  21.288   4.932
   30   2HG   PRO   4          2HG       PRO   4  30.848  22.467   5.515
   31   1HD   PRO   4          1HD       PRO   4  31.597  19.995   6.749
   32   2HD   PRO   4          2HD       PRO   4  30.374  21.154   7.293
   33    H    TYR   5           H        TYR   5  31.984  19.373   4.326
   34    HA   TYR   5           HA       TYR   5  31.893  17.204   2.371
   35   1HB   TYR   5          1HB       TYR   5  33.656  19.241   2.904
   36   2HB   TYR   5          2HB       TYR   5  34.478  17.862   3.624
   37    HD1  TYR   5           HD1      TYR   5  34.325  15.629   2.088
   38    HD2  TYR   5           HD2      TYR   5  34.078  19.675   0.667
   39    HE1  TYR   5           HE1      TYR   5  34.998  14.875  -0.176
   40    HE2  TYR   5           HE2      TYR   5  34.751  18.921  -1.597
   41    HH   TYR   5           HH       TYR   5  34.558  15.938  -2.669
   42    H    TYR   6           H        TYR   6  32.075  17.447   5.826
   43    HA   TYR   6           HA       TYR   6  33.577  15.120   6.452
   44   1HB   TYR   6          1HB       TYR   6  32.374  17.066   7.901
   45   2HB   TYR   6          2HB       TYR   6  31.224  15.757   8.143
   46    HD1  TYR   6           HD1      TYR   6  32.658  13.342   8.373
   47    HD2  TYR   6           HD2      TYR   6  33.894  17.256   9.641
   48    HE1  TYR   6           HE1      TYR   6  34.192  12.320  10.031
   49    HE2  TYR   6           HE2      TYR   6  35.427  16.235  11.300
   50    HH   TYR   6           HH       TYR   6  36.622  13.532  11.274
   51    H    LEU   7           H        LEU   7  30.134  15.545   5.723
   52    HA   LEU   7           HA       LEU   7  29.442  12.770   6.221
   53   1HB   LEU   7          1HB       LEU   7  28.092  15.215   5.269
   54   2HB   LEU   7          2HB       LEU   7  27.460  13.727   4.569
   55    HG   LEU   7           HG       LEU   7  27.875  14.127   7.544
   56   1HD1  LEU   7          1HD1      LEU   7  26.092  15.568   6.144
   57   2HD1  LEU   7          2HD1      LEU   7  25.159  14.081   6.314
   58   3HD1  LEU   7          3HD1      LEU   7  25.727  14.934   7.749
   59   1HD2  LEU   7          1HD2      LEU   7  26.585  12.024   5.800
   60   2HD2  LEU   7          2HD2      LEU   7  27.799  11.808   7.061
   61   3HD2  LEU   7          3HD2      LEU   7  26.137  12.205   7.497
   62    H    SER   8           H        SER   8  30.524  14.597   3.422
   63    HA   SER   8           HA       SER   8  29.751  12.846   1.341
   64   1HB   SER   8          1HB       SER   8  31.079  15.190   1.421
   65   2HB   SER   8          2HB       SER   8  32.436  14.103   1.137
   66    HG   SER   8           HG       SER   8  31.661  13.625  -0.784
   67    H    ASP   9           H        ASP   9  32.187  12.393   3.782
   68    HA   ASP   9           HA       ASP   9  33.788  10.483   2.297
   69   1HB   ASP   9          1HB       ASP   9  33.555  10.959   5.282
   70   2HB   ASP   9          2HB       ASP   9  34.801   9.985   4.500
   71    H    ILE  10           H        ILE  10  31.644   9.970   5.131
   72    HA   ILE  10           HA       ILE  10  31.590   7.129   4.863
   73    HB   ILE  10           HB       ILE  10  29.485   8.924   6.110
   74   1HG1  ILE  10          1HG1      ILE  10  31.755   7.516   7.526
   75   2HG1  ILE  10          2HG1      ILE  10  31.941   9.151   6.893
   76   1HG2  ILE  10          1HG2      ILE  10  30.012   5.976   6.107
   77   2HG2  ILE  10          2HG2      ILE  10  29.411   6.712   7.593
   78   3HG2  ILE  10          3HG2      ILE  10  28.474   6.839   6.104
   79   1HD1  ILE  10          1HD1      ILE  10  29.920   9.835   8.203
   80   2HD1  ILE  10          2HD1      ILE  10  29.885   8.223   8.917
   81   3HD1  ILE  10          3HD1      ILE  10  31.253   9.293   9.221
   82    H    THR  11           H        THR  11  29.840   9.609   3.149
   83    HA   THR  11           HA       THR  11  27.592   7.999   2.333
   84    HB   THR  11           HB       THR  11  28.800  10.327   0.814
   85    HG1  THR  11           HG1      THR  11  26.872  10.380   2.890
   86   1HG2  THR  11          1HG2      THR  11  26.045   9.089   0.983
   87   2HG2  THR  11          2HG2      THR  11  26.352  10.663   0.248
   88   3HG2  THR  11          3HG2      THR  11  27.081   9.212  -0.439
   89    H    ASP  12           H        ASP  12  30.655   8.829   0.663
   90    HA   ASP  12           HA       ASP  12  30.137   7.306  -1.686
   91   1HB   ASP  12          1HB       ASP  12  32.170   8.952  -0.839
   92   2HB   ASP  12          2HB       ASP  12  32.959   7.375  -0.822
   93    H    VAL  13           H        VAL  13  31.555   6.370   1.422
   94    HA   VAL  13           HA       VAL  13  32.406   3.746   0.621
   95    HB   VAL  13           HB       VAL  13  31.540   4.639   3.371
   96   1HG1  VAL  13          1HG1      VAL  13  33.050   2.296   2.269
   97   2HG1  VAL  13          2HG1      VAL  13  33.453   2.897   3.878
   98   3HG1  VAL  13          3HG1      VAL  13  31.818   2.332   3.530
   99   1HG2  VAL  13          1HG2      VAL  13  33.468   5.875   1.914
  100   2HG2  VAL  13          2HG2      VAL  13  33.559   5.687   3.664
  101   3HG2  VAL  13          3HG2      VAL  13  34.410   4.559   2.611
  102    H    ILE  14           H        ILE  14  29.383   4.948   2.046
  103    HA   ILE  14           HA       ILE  14  28.135   2.372   2.301
  104    HB   ILE  14           HB       ILE  14  26.904   5.139   2.021
  105   1HG1  ILE  14          1HG1      ILE  14  27.241   3.508   4.540
  106   2HG1  ILE  14          2HG1      ILE  14  28.524   4.574   3.966
  107   1HG2  ILE  14          1HG2      ILE  14  25.757   2.418   2.561
  108   2HG2  ILE  14          2HG2      ILE  14  25.070   3.803   3.410
  109   3HG2  ILE  14          3HG2      ILE  14  25.068   3.760   1.646
  110   1HD1  ILE  14          1HD1      ILE  14  25.677   5.522   4.353
  111   2HD1  ILE  14          2HD1      ILE  14  26.889   5.607   5.633
  112   3HD1  ILE  14          3HD1      ILE  14  27.125   6.506   4.133
  113    H    PHE  15           H        PHE  15  28.496   4.616  -0.367
  114    HA   PHE  15           HA       PHE  15  26.421   3.601  -2.057
  115   1HB   PHE  15          1HB       PHE  15  27.920   5.727  -2.309
  116   2HB   PHE  15          2HB       PHE  15  29.036   4.637  -3.131
  117    HD1  PHE  15           HD1      PHE  15  25.305   5.077  -3.067
  118    HD2  PHE  15           HD2      PHE  15  28.864   4.746  -5.447
  119    HE1  PHE  15           HE1      PHE  15  23.938   5.235  -5.131
  120    HE2  PHE  15           HE2      PHE  15  27.497   4.903  -7.512
  121    HZ   PHE  15           HZ       PHE  15  25.035   5.147  -7.353
  122    H    ILE  16           H        ILE  16  29.825   2.672  -1.633
  123    HA   ILE  16           HA       ILE  16  29.740   0.640  -3.713
  124    HB   ILE  16           HB       ILE  16  31.709   0.962  -1.427
  125   1HG1  ILE  16          1HG1      ILE  16  32.353   1.852  -4.192
  126   2HG1  ILE  16          2HG1      ILE  16  31.210   2.855  -3.300
  127   1HG2  ILE  16          1HG2      ILE  16  31.632  -0.677  -3.948
  128   2HG2  ILE  16          2HG2      ILE  16  33.183  -0.130  -3.311
  129   3HG2  ILE  16          3HG2      ILE  16  32.138  -1.153  -2.327
  130   1HD1  ILE  16          1HD1      ILE  16  33.904   1.987  -2.220
  131   2HD1  ILE  16          2HD1      ILE  16  33.599   3.549  -2.981
  132   3HD1  ILE  16          3HD1      ILE  16  32.784   3.127  -1.475
  133    H    TYR  17           H        TYR  17  28.978   0.740  -0.299
  134    HA   TYR  17           HA       TYR  17  29.207  -2.044   0.296
  135   1HB   TYR  17          1HB       TYR  17  28.918  -0.261   2.010
  136   2HB   TYR  17          2HB       TYR  17  27.260  -0.029   1.461
  137    HD1  TYR  17           HD1      TYR  17  29.302  -3.131   2.042
  138    HD2  TYR  17           HD2      TYR  17  25.809  -0.857   3.088
  139    HE1  TYR  17           HE1      TYR  17  28.545  -4.972   3.521
  140    HE2  TYR  17           HE2      TYR  17  25.054  -2.698   4.567
  141    HH   TYR  17           HH       TYR  17  25.393  -5.114   4.811
  142    H    PHE  18           H        PHE  18  26.519  -0.142  -1.056
  143    HA   PHE  18           HA       PHE  18  24.766  -2.490  -1.146
  144   1HB   PHE  18          1HB       PHE  18  24.327   0.232  -1.077
  145   2HB   PHE  18          2HB       PHE  18  23.992  -0.153  -2.762
  146    HD1  PHE  18           HD1      PHE  18  23.393  -1.771   0.579
  147    HD2  PHE  18           HD2      PHE  18  21.768  -0.628  -3.229
  148    HE1  PHE  18           HE1      PHE  18  21.199  -2.730   1.228
  149    HE2  PHE  18           HE2      PHE  18  19.574  -1.586  -2.580
  150    HZ   PHE  18           HZ       PHE  18  19.290  -2.637  -0.353
  151    H    ALA  19           H        ALA  19  26.915  -0.788  -3.306
  152    HA   ALA  19           HA       ALA  19  25.996  -1.631  -5.837
  153   1HB   ALA  19          1HB       ALA  19  27.915  -0.055  -5.314
  154   2HB   ALA  19          2HB       ALA  19  28.902  -1.485  -5.017
  155   3HB   ALA  19          3HB       ALA  19  28.223  -1.201  -6.619
  156    H    ALA  20           H        ALA  20  28.322  -3.258  -3.706
  157    HA   ALA  20           HA       ALA  20  28.994  -5.484  -5.244
  158   1HB   ALA  20          1HB       ALA  20  28.568  -5.213  -2.270
  159   2HB   ALA  20          2HB       ALA  20  29.221  -6.677  -3.007
  160   3HB   ALA  20          3HB       ALA  20  30.092  -5.150  -3.156
  161    H    LEU  21           H        LEU  21  26.298  -5.310  -2.940
  162    HA   LEU  21           HA       LEU  21  25.279  -7.921  -3.798
  163   1HB   LEU  21          1HB       LEU  21  24.755  -6.009  -1.633
  164   2HB   LEU  21          2HB       LEU  21  23.298  -6.801  -2.233
  165    HG   LEU  21           HG       LEU  21  25.811  -8.311  -1.473
  166   1HD1  LEU  21          1HD1      LEU  21  23.470  -7.380   0.148
  167   2HD1  LEU  21          2HD1      LEU  21  24.168  -8.960   0.503
  168   3HD1  LEU  21          3HD1      LEU  21  25.166  -7.510   0.610
  169   1HD2  LEU  21          1HD2      LEU  21  23.951  -9.230  -3.072
  170   2HD2  LEU  21          2HD2      LEU  21  24.512 -10.251  -1.747
  171   3HD2  LEU  21          3HD2      LEU  21  22.993  -9.369  -1.597
  172    H    SER  22           H        SER  22  24.880  -4.769  -4.989
  173    HA   SER  22           HA       SER  22  22.200  -4.484  -5.639
  174   1HB   SER  22          1HB       SER  22  24.344  -3.062  -6.267
  175   2HB   SER  22          2HB       SER  22  24.184  -3.916  -7.799
  176    HG   SER  22           HG       SER  22  22.979  -1.855  -7.489
  177    HA   PRO  23           HA       PRO  23  22.685  -7.271  -9.583
  178   1HB   PRO  23          1HB       PRO  23  24.859  -8.910  -9.733
  179   2HB   PRO  23          2HB       PRO  23  24.816  -7.282 -10.402
  180   1HG   PRO  23          1HG       PRO  23  26.160  -8.268  -7.969
  181   2HG   PRO  23          2HG       PRO  23  26.603  -6.931  -9.044
  182   1HD   PRO  23          1HD       PRO  23  25.363  -6.669  -6.566
  183   2HD   PRO  23          2HD       PRO  23  25.439  -5.422  -7.812
  184    H    ALA  24           H        ALA  24  24.529  -9.037  -7.115
  185    HA   ALA  24           HA       ALA  24  23.378 -11.560  -7.306
  186   1HB   ALA  24          1HB       ALA  24  24.526 -10.004  -5.031
  187   2HB   ALA  24          2HB       ALA  24  23.698 -11.517  -4.664
  188   3HB   ALA  24          3HB       ALA  24  25.083 -11.512  -5.755
  189    H    ILE  25           H        ILE  25  21.877  -8.699  -5.952
  190    HA   ILE  25           HA       ILE  25  19.800  -9.994  -4.460
  191    HB   ILE  25           HB       ILE  25  19.991  -7.249  -5.745
  192   1HG1  ILE  25          1HG1      ILE  25  19.822  -7.826  -2.809
  193   2HG1  ILE  25          2HG1      ILE  25  21.343  -8.139  -3.643
  194   1HG2  ILE  25          1HG2      ILE  25  17.743  -8.505  -4.165
  195   2HG2  ILE  25          2HG2      ILE  25  18.031  -6.766  -4.097
  196   3HG2  ILE  25          3HG2      ILE  25  17.646  -7.537  -5.636
  197   1HD1  ILE  25          1HD1      ILE  25  20.846  -5.703  -4.642
  198   2HD1  ILE  25          2HD1      ILE  25  19.961  -5.544  -3.125
  199   3HD1  ILE  25          3HD1      ILE  25  21.684  -5.922  -3.106
  200    H    THR  26           H        THR  26  19.754  -8.617  -7.783
  201    HA   THR  26           HA       THR  26  17.128  -9.698  -8.359
  202    HB   THR  26           HB       THR  26  19.211  -8.876 -10.395
  203    HG1  THR  26           HG1      THR  26  18.707  -6.830  -9.995
  204   1HG2  THR  26          1HG2      THR  26  16.267  -9.338 -10.351
  205   2HG2  THR  26          2HG2      THR  26  16.865  -8.015 -11.352
  206   3HG2  THR  26          3HG2      THR  26  17.436  -9.661 -11.631
  207    H    PHE  27           H        PHE  27  20.241 -10.507  -9.942
  208    HA   PHE  27           HA       PHE  27  19.194 -13.129 -10.711
  209   1HB   PHE  27          1HB       PHE  27  20.966 -11.520 -11.911
  210   2HB   PHE  27          2HB       PHE  27  22.096 -12.485 -10.962
  211    HD1  PHE  27           HD1      PHE  27  18.968 -13.077 -12.967
  212    HD2  PHE  27           HD2      PHE  27  22.962 -14.354 -12.035
  213    HE1  PHE  27           HE1      PHE  27  18.753 -14.939 -14.592
  214    HE2  PHE  27           HE2      PHE  27  22.747 -16.215 -13.660
  215    HZ   PHE  27           HZ       PHE  27  20.642 -16.508 -14.938
  216    H    GLY  28           H        GLY  28  20.514 -15.125 -10.199
  217   1HA   GLY  28          1HA       GLY  28  21.900 -16.400  -8.711
  218   2HA   GLY  28          2HA       GLY  28  21.979 -15.005  -7.636
  219    H    GLY  29           H        GLY  29  20.438 -17.981  -8.199
  220   1HA   GLY  29          1HA       GLY  29  18.088 -17.308  -6.538
  221   2HA   GLY  29          2HA       GLY  29  18.338 -18.827  -7.392
  222    H    LEU  30           H        LEU  30  21.016 -17.589  -5.547
  223    HA   LEU  30           HA       LEU  30  20.751 -19.884  -3.704
  224   1HB   LEU  30          1HB       LEU  30  22.942 -18.344  -4.801
  225   2HB   LEU  30          2HB       LEU  30  23.047 -18.343  -3.043
  226    HG   LEU  30           HG       LEU  30  24.264 -20.259  -4.012
  227   1HD1  LEU  30          1HD1      LEU  30  21.861 -20.663  -2.276
  228   2HD1  LEU  30          2HD1      LEU  30  22.724 -22.091  -2.845
  229   3HD1  LEU  30          3HD1      LEU  30  23.569 -20.870  -1.896
  230   1HD2  LEU  30          1HD2      LEU  30  22.515 -20.364  -5.971
  231   2HD2  LEU  30          2HD2      LEU  30  23.279 -21.851  -5.411
  232   3HD2  LEU  30          3HD2      LEU  30  21.644 -21.447  -4.885
  233    H    LEU  31           H        LEU  31  19.282 -19.394  -2.108
  234    HA   LEU  31           HA       LEU  31  19.015 -16.745  -0.958
  235   1HB   LEU  31          1HB       LEU  31  17.269 -18.677  -1.073
  236   2HB   LEU  31          2HB       LEU  31  18.072 -19.275   0.378
  237    HG   LEU  31           HG       LEU  31  17.379 -16.382   0.343
  238   1HD1  LEU  31          1HD1      LEU  31  15.361 -18.626   0.378
  239   2HD1  LEU  31          2HD1      LEU  31  15.047 -17.107   1.220
  240   3HD1  LEU  31          3HD1      LEU  31  15.305 -17.111  -0.525
  241   1HD2  LEU  31          1HD2      LEU  31  17.292 -18.649   2.356
  242   2HD2  LEU  31          2HD2      LEU  31  18.440 -17.311   2.303
  243   3HD2  LEU  31          3HD2      LEU  31  16.753 -17.009   2.719
  244    H    GLY  32           H        GLY  32  20.543 -19.784   0.096
  245   1HA   GLY  32          1HA       GLY  32  21.702 -18.358   2.440
  246   2HA   GLY  32          2HA       GLY  32  21.665 -20.110   2.228
  247    H    GLU  33           H        GLU  33  23.862 -17.866   2.505
  248    HA   GLU  33           HA       GLU  33  25.448 -18.004   0.115
  249   1HB   GLU  33          1HB       GLU  33  25.680 -16.326   2.017
  250   2HB   GLU  33          2HB       GLU  33  26.497 -17.598   2.925
  251   1HG   GLU  33          1HG       GLU  33  27.594 -17.386   0.236
  252   2HG   GLU  33          2HG       GLU  33  27.666 -15.833   1.067
  253    H    LYS  34           H        LYS  34  25.463 -19.916   3.121
  254    HA   LYS  34           HA       LYS  34  27.582 -21.663   2.046
  255   1HB   LYS  34          1HB       LYS  34  26.112 -21.547   4.686
  256   2HB   LYS  34          2HB       LYS  34  27.213 -22.862   4.279
  257   1HG   LYS  34          1HG       LYS  34  28.840 -21.528   5.125
  258   2HG   LYS  34          2HG       LYS  34  28.703 -20.637   3.611
  259   1HD   LYS  34          1HD       LYS  34  28.235 -18.848   4.927
  260   2HD   LYS  34          2HD       LYS  34  26.633 -19.568   5.080
  261   1HE   LYS  34          1HE       LYS  34  27.971 -20.967   6.987
  262   2HE   LYS  34          2HE       LYS  34  28.840 -19.434   7.053
  263   1HZ   LYS  34          1HZ       LYS  34  25.888 -19.716   7.196
  264   2HZ   LYS  34          2HZ       LYS  34  26.904 -19.496   8.537
  265   3HZ   LYS  34          3HZ       LYS  34  26.774 -18.276   7.361
  Start of MODEL    4
    1   1H    ACE   1          HA1       ACE   1   1.906  -0.454   6.586
    2   2H    ACE   1          HA2       ACE   1   3.080  -1.697   6.151
    3   3H    ACE   1          HA3       ACE   1   1.372  -2.111   6.301
    4    H    ARG   2           H        ARG   2   2.934   0.640   4.657
    5    HA   ARG   2           HA       ARG   2   1.659  -0.286   2.126
    6   1HB   ARG   2          1HB       ARG   2   1.724   2.362   3.464
    7   2HB   ARG   2          2HB       ARG   2   1.897   2.366   1.709
    8   1HG   ARG   2          1HG       ARG   2  -0.151   0.898   1.583
    9   2HG   ARG   2          2HG       ARG   2  -0.365   1.147   3.315
   10   1HD   ARG   2          1HD       ARG   2  -1.649   2.905   2.594
   11   2HD   ARG   2          2HD       ARG   2  -0.083   3.715   2.538
   12    HE   ARG   2           HE       ARG   2  -0.161   2.715   0.046
   13   1HH1  ARG   2          1HH2      ARG   2  -0.996   5.556   0.503
   14   2HH1  ARG   2          2HH2      ARG   2  -2.580   5.586  -0.198
   15   1HH2  ARG   2          1HH1      ARG   2  -2.920   2.136  -0.233
   16   2HH2  ARG   2          2HH1      ARG   2  -3.667   3.651  -0.616
   17    H    TYR   3           H        TYR   3   4.629   0.455   3.642
   18    HA   TYR   3           HA       TYR   3   6.820   0.505   2.794
   19   1HB   TYR   3          1HB       TYR   3   5.459  -1.165   1.083
   20   2HB   TYR   3          2HB       TYR   3   6.038   0.070  -0.030
   21    HD1  TYR   3           HD1      TYR   3   7.499  -1.501   3.061
   22    HD2  TYR   3           HD2      TYR   3   7.945  -0.658  -1.127
   23    HE1  TYR   3           HE1      TYR   3   9.761  -2.527   3.091
   24    HE2  TYR   3           HE2      TYR   3  10.201  -1.680  -1.097
   25    HH   TYR   3           HH       TYR   3  11.963  -2.193   0.470
   26    HA   PRO   4           HA       PRO   4   5.938   4.730   1.002
   27   1HB   PRO   4          1HB       PRO   4   5.980   6.187   3.308
   28   2HB   PRO   4          2HB       PRO   4   4.519   5.423   2.664
   29   1HG   PRO   4          1HG       PRO   4   6.003   4.758   5.066
   30   2HG   PRO   4          2HG       PRO   4   4.437   4.140   4.519
   31   1HD   PRO   4          1HD       PRO   4   7.100   2.916   4.261
   32   2HD   PRO   4          2HD       PRO   4   5.502   2.173   4.096
   33    H    TYR   5           H        TYR   5   7.783   5.183   4.005
   34    HA   TYR   5           HA       TYR   5   9.973   6.395   2.465
   35   1HB   TYR   5          1HB       TYR   5   8.903   7.239   4.694
   36   2HB   TYR   5          2HB       TYR   5   9.972   6.056   5.448
   37    HD1  TYR   5           HD1      TYR   5   9.903   9.025   3.195
   38    HD2  TYR   5           HD2      TYR   5  12.304   6.466   5.674
   39    HE1  TYR   5           HE1      TYR   5  11.802  10.607   2.990
   40    HE2  TYR   5           HE2      TYR   5  14.200   8.048   5.470
   41    HH   TYR   5           HH       TYR   5  14.227  10.817   4.924
   42    H    TYR   6           H        TYR   6   9.308   3.316   3.836
   43    HA   TYR   6           HA       TYR   6  11.830   2.442   4.731
   44   1HB   TYR   6          1HB       TYR   6   9.461   1.262   4.576
   45   2HB   TYR   6          2HB       TYR   6  10.142   0.595   3.093
   46    HD1  TYR   6           HD1      TYR   6  10.639   0.904   6.763
   47    HD2  TYR   6           HD2      TYR   6  11.855  -1.085   3.154
   48    HE1  TYR   6           HE1      TYR   6  11.925  -0.741   8.103
   49    HE2  TYR   6           HE2      TYR   6  13.142  -2.728   4.494
   50    HH   TYR   6           HH       TYR   6  12.877  -3.600   7.083
   51    H    LEU   7           H        LEU   7  10.802   3.158   1.476
   52    HA   LEU   7           HA       LEU   7  12.675   1.537   0.035
   53   1HB   LEU   7          1HB       LEU   7  11.086   4.010  -0.570
   54   2HB   LEU   7          2HB       LEU   7  12.361   3.527  -1.686
   55    HG   LEU   7           HG       LEU   7  10.179   2.586  -2.353
   56   1HD1  LEU   7          1HD1      LEU   7  12.486   1.338  -2.505
   57   2HD1  LEU   7          2HD1      LEU   7  11.760   0.255  -1.319
   58   3HD1  LEU   7          3HD1      LEU   7  10.997   0.477  -2.893
   59   1HD2  LEU   7          1HD2      LEU   7   9.477   2.423   0.170
   60   2HD2  LEU   7          2HD2      LEU   7   8.877   1.222  -0.971
   61   3HD2  LEU   7          3HD2      LEU   7  10.231   0.831   0.091
   62    H    SER   8           H        SER   8  12.889   4.873   1.267
   63    HA   SER   8           HA       SER   8  15.378   5.575   0.125
   64   1HB   SER   8          1HB       SER   8  13.759   7.074   1.403
   65   2HB   SER   8          2HB       SER   8  14.471   6.428   2.879
   66    HG   SER   8           HG       SER   8  16.005   7.820   2.574
   67    H    ASP   9           H        ASP   9  14.692   3.618   2.974
   68    HA   ASP   9           HA       ASP   9  17.306   3.694   4.130
   69   1HB   ASP   9          1HB       ASP   9  15.069   2.740   5.082
   70   2HB   ASP   9          2HB       ASP   9  15.563   1.249   4.277
   71    H    ILE  10           H        ILE  10  15.918   1.633   1.599
   72    HA   ILE  10           HA       ILE  10  18.128  -0.213   1.480
   73    HB   ILE  10           HB       ILE  10  16.221   0.531  -0.755
   74   1HG1  ILE  10          1HG1      ILE  10  15.772  -1.864   0.961
   75   2HG1  ILE  10          2HG1      ILE  10  15.374  -0.300   1.671
   76   1HG2  ILE  10          1HG2      ILE  10  18.428  -1.006  -0.931
   77   2HG2  ILE  10          2HG2      ILE  10  17.289  -2.217  -0.342
   78   3HG2  ILE  10          3HG2      ILE  10  16.958  -1.350  -1.842
   79   1HD1  ILE  10          1HD1      ILE  10  14.226   0.073  -0.710
   80   2HD1  ILE  10          2HD1      ILE  10  14.140  -1.688  -0.666
   81   3HD1  ILE  10          3HD1      ILE  10  13.375  -0.735   0.605
   82    H    THR  11           H        THR  11  17.339   2.727  -0.384
   83    HA   THR  11           HA       THR  11  19.482   2.637  -2.227
   84    HB   THR  11           HB       THR  11  19.232   5.244  -2.038
   85    HG1  THR  11           HG1      THR  11  17.142   5.695  -1.095
   86   1HG2  THR  11          1HG2      THR  11  18.066   3.374  -3.585
   87   2HG2  THR  11          2HG2      THR  11  16.638   3.982  -2.749
   88   3HG2  THR  11          3HG2      THR  11  17.646   5.084  -3.686
   89    H    ASP  12           H        ASP  12  19.393   4.006   1.066
   90    HA   ASP  12           HA       ASP  12  22.048   5.085   1.012
   91   1HB   ASP  12          1HB       ASP  12  19.920   4.767   2.934
   92   2HB   ASP  12          2HB       ASP  12  21.441   4.274   3.675
   93    H    VAL  13           H        VAL  13  20.793   1.864   1.627
   94    HA   VAL  13           HA       VAL  13  23.266   0.820   2.734
   95    HB   VAL  13           HB       VAL  13  20.959  -0.659   1.469
   96   1HG1  VAL  13          1HG1      VAL  13  23.306  -1.481   3.175
   97   2HG1  VAL  13          2HG1      VAL  13  21.829  -2.443   3.130
   98   3HG1  VAL  13          3HG1      VAL  13  22.758  -2.185   1.654
   99   1HG2  VAL  13          1HG2      VAL  13  20.689   0.970   3.578
  100   2HG2  VAL  13          2HG2      VAL  13  19.844  -0.575   3.491
  101   3HG2  VAL  13          3HG2      VAL  13  21.336  -0.436   4.421
  102    H    ILE  14           H        ILE  14  21.960   1.240  -0.491
  103    HA   ILE  14           HA       ILE  14  23.846  -0.569  -1.774
  104    HB   ILE  14           HB       ILE  14  22.152   1.661  -2.952
  105   1HG1  ILE  14          1HG1      ILE  14  21.627  -1.321  -2.934
  106   2HG1  ILE  14          2HG1      ILE  14  20.956  -0.223  -1.728
  107   1HG2  ILE  14          1HG2      ILE  14  23.987  -0.387  -4.107
  108   2HG2  ILE  14          2HG2      ILE  14  22.464  -0.112  -4.953
  109   3HG2  ILE  14          3HG2      ILE  14  23.585   1.226  -4.699
  110   1HD1  ILE  14          1HD1      ILE  14  20.214   1.140  -3.892
  111   2HD1  ILE  14          2HD1      ILE  14  20.324  -0.453  -4.644
  112   3HD1  ILE  14          3HD1      ILE  14  19.238  -0.195  -3.278
  113    H    PHE  15           H        PHE  15  23.787   2.838  -0.923
  114    HA   PHE  15           HA       PHE  15  26.011   3.646  -2.577
  115   1HB   PHE  15          1HB       PHE  15  24.341   5.209  -1.515
  116   2HB   PHE  15          2HB       PHE  15  25.107   4.882   0.038
  117    HD1  PHE  15           HD1      PHE  15  26.373   5.542  -3.440
  118    HD2  PHE  15           HD2      PHE  15  26.491   6.615   0.717
  119    HE1  PHE  15           HE1      PHE  15  28.106   7.248  -3.930
  120    HE2  PHE  15           HE2      PHE  15  28.221   8.323   0.228
  121    HZ   PHE  15           HZ       PHE  15  29.029   8.639  -2.095
  122    H    ILE  16           H        ILE  16  25.745   2.536   0.794
  123    HA   ILE  16           HA       ILE  16  28.585   2.842   1.320
  124    HB   ILE  16           HB       ILE  16  26.516   1.201   2.814
  125   1HG1  ILE  16          1HG1      ILE  16  27.483   3.929   3.624
  126   2HG1  ILE  16          2HG1      ILE  16  26.203   3.792   2.419
  127   1HG2  ILE  16          1HG2      ILE  16  29.295   2.193   3.473
  128   2HG2  ILE  16          2HG2      ILE  16  28.145   1.729   4.727
  129   3HG2  ILE  16          3HG2      ILE  16  28.687   0.539   3.543
  130   1HD1  ILE  16          1HD1      ILE  16  25.998   2.221   4.969
  131   2HD1  ILE  16          2HD1      ILE  16  25.571   3.932   4.965
  132   3HD1  ILE  16          3HD1      ILE  16  24.711   2.807   3.915
  133    H    TYR  17           H        TYR  17  26.651   0.372  -0.186
  134    HA   TYR  17           HA       TYR  17  28.378  -1.869   0.372
  135   1HB   TYR  17          1HB       TYR  17  25.911  -1.608  -0.758
  136   2HB   TYR  17          2HB       TYR  17  26.897  -1.867  -2.198
  137    HD1  TYR  17           HD1      TYR  17  25.951  -3.288   1.102
  138    HD2  TYR  17           HD2      TYR  17  27.904  -3.995  -2.658
  139    HE1  TYR  17           HE1      TYR  17  26.081  -5.709   1.625
  140    HE2  TYR  17           HE2      TYR  17  28.032  -6.416  -2.135
  141    HH   TYR  17           HH       TYR  17  26.789  -8.051  -0.682
  142    H    PHE  18           H        PHE  18  28.010   0.089  -2.613
  143    HA   PHE  18           HA       PHE  18  30.351  -1.032  -3.870
  144   1HB   PHE  18          1HB       PHE  18  28.246   0.700  -4.602
  145   2HB   PHE  18          2HB       PHE  18  29.717   1.640  -4.826
  146    HD1  PHE  18           HD1      PHE  18  31.741  -0.035  -5.780
  147    HD2  PHE  18           HD2      PHE  18  27.525  -0.358  -6.540
  148    HE1  PHE  18           HE1      PHE  18  32.213  -1.269  -7.878
  149    HE2  PHE  18           HE2      PHE  18  27.997  -1.594  -8.636
  150    HZ   PHE  18           HZ       PHE  18  30.342  -2.049  -9.307
  151    H    ALA  19           H        ALA  19  29.872   1.591  -1.621
  152    HA   ALA  19           HA       ALA  19  32.288   3.054  -2.127
  153   1HB   ALA  19          1HB       ALA  19  30.334   3.873  -0.790
  154   2HB   ALA  19          2HB       ALA  19  30.799   2.755   0.493
  155   3HB   ALA  19          3HB       ALA  19  31.879   4.073   0.037
  156    H    ALA  20           H        ALA  20  31.534   0.688   0.428
  157    HA   ALA  20           HA       ALA  20  34.005   0.509   1.707
  158   1HB   ALA  20          1HB       ALA  20  31.815  -0.709   2.230
  159   2HB   ALA  20          2HB       ALA  20  32.346  -1.921   1.064
  160   3HB   ALA  20          3HB       ALA  20  33.306  -1.610   2.509
  161    H    LEU  21           H        LEU  21  32.961  -1.392  -1.093
  162    HA   LEU  21           HA       LEU  21  35.577  -2.677  -1.338
  163   1HB   LEU  21          1HB       LEU  21  32.961  -2.845  -2.764
  164   2HB   LEU  21          2HB       LEU  21  34.401  -3.440  -3.590
  165    HG   LEU  21           HG       LEU  21  34.862  -4.636  -1.284
  166   1HD1  LEU  21          1HD1      LEU  21  32.899  -3.466  -0.212
  167   2HD1  LEU  21          2HD1      LEU  21  31.841  -4.411  -1.259
  168   3HD1  LEU  21          3HD1      LEU  21  32.858  -5.223  -0.067
  169   1HD2  LEU  21          1HD2      LEU  21  34.140  -5.544  -3.654
  170   2HD2  LEU  21          2HD2      LEU  21  34.035  -6.598  -2.243
  171   3HD2  LEU  21          3HD2      LEU  21  32.586  -5.804  -2.859
  172    H    SER  22           H        SER  22  34.225   0.254  -2.565
  173    HA   SER  22           HA       SER  22  35.370   0.494  -5.109
  174   1HB   SER  22          1HB       SER  22  34.154   2.228  -3.274
  175   2HB   SER  22          2HB       SER  22  35.722   2.961  -3.598
  176    HG   SER  22           HG       SER  22  35.249   2.912  -5.788
  177    HA   PRO  23           HA       PRO  23  39.564   1.954  -3.152
  178   1HB   PRO  23          1HB       PRO  23  39.873   1.738  -0.454
  179   2HB   PRO  23          2HB       PRO  23  39.219   3.169  -1.246
  180   1HG   PRO  23          1HG       PRO  23  37.821   1.096   0.311
  181   2HG   PRO  23          2HG       PRO  23  37.405   2.800   0.067
  182   1HD   PRO  23          1HD       PRO  23  36.227   0.616  -1.239
  183   2HD   PRO  23          2HD       PRO  23  36.075   2.317  -1.701
  184    H    ALA  24           H        ALA  24  38.396  -0.453  -0.823
  185    HA   ALA  24           HA       ALA  24  40.628  -2.059  -0.516
  186   1HB   ALA  24          1HB       ALA  24  37.706  -2.786  -0.661
  187   2HB   ALA  24          2HB       ALA  24  38.941  -3.992  -0.297
  188   3HB   ALA  24          3HB       ALA  24  38.720  -2.605   0.771
  189    H    ILE  25           H        ILE  25  38.584  -1.905  -3.360
  190    HA   ILE  25           HA       ILE  25  39.745  -4.334  -4.521
  191    HB   ILE  25           HB       ILE  25  37.592  -2.381  -5.281
  192   1HG1  ILE  25          1HG1      ILE  25  36.363  -4.467  -5.715
  193   2HG1  ILE  25          2HG1      ILE  25  37.834  -5.406  -5.486
  194   1HG2  ILE  25          1HG2      ILE  25  39.191  -3.992  -7.279
  195   2HG2  ILE  25          2HG2      ILE  25  37.495  -3.598  -7.563
  196   3HG2  ILE  25          3HG2      ILE  25  38.683  -2.307  -7.383
  197   1HD1  ILE  25          1HD1      ILE  25  37.937  -4.457  -3.127
  198   2HD1  ILE  25          2HD1      ILE  25  36.322  -3.819  -3.399
  199   3HD1  ILE  25          3HD1      ILE  25  36.598  -5.555  -3.437
  200    H    THR  26           H        THR  26  39.917  -0.812  -5.169
  201    HA   THR  26           HA       THR  26  42.032  -1.204  -7.158
  202    HB   THR  26           HB       THR  26  41.196   1.422  -5.916
  203    HG1  THR  26           HG1      THR  26  39.731   1.454  -7.751
  204   1HG2  THR  26          1HG2      THR  26  42.484   0.560  -8.508
  205   2HG2  THR  26          2HG2      THR  26  41.756   2.153  -8.308
  206   3HG2  THR  26          3HG2      THR  26  43.117   1.674  -7.295
  207    H    PHE  27           H        PHE  27  42.000   0.856  -4.222
  208    HA   PHE  27           HA       PHE  27  44.885   0.752  -4.002
  209   1HB   PHE  27          1HB       PHE  27  42.673   1.794  -2.230
  210   2HB   PHE  27          2HB       PHE  27  44.355   1.806  -1.700
  211    HD1  PHE  27           HD1      PHE  27  46.089   2.985  -3.157
  212    HD2  PHE  27           HD2      PHE  27  41.857   3.427  -3.746
  213    HE1  PHE  27           HE1      PHE  27  46.488   5.046  -4.480
  214    HE2  PHE  27           HE2      PHE  27  42.256   5.487  -5.068
  215    HZ   PHE  27           HZ       PHE  27  44.571   6.296  -5.435
  216    H    GLY  28           H        GLY  28  42.677  -0.104  -1.340
  217   1HA   GLY  28          1HA       GLY  28  42.557  -2.082  -0.054
  218   2HA   GLY  28          2HA       GLY  28  43.664  -2.849  -1.191
  219    H    GLY  29           H        GLY  29  43.397  -1.613   1.926
  220   1HA   GLY  29          1HA       GLY  29  45.825  -2.346   2.929
  221   2HA   GLY  29          2HA       GLY  29  46.191  -0.777   2.215
  222    H    LEU  30           H        LEU  30  44.084   0.792   2.808
  223    HA   LEU  30           HA       LEU  30  44.447   1.379   5.583
  224   1HB   LEU  30          1HB       LEU  30  42.580   3.002   5.258
  225   2HB   LEU  30          2HB       LEU  30  43.826   3.129   4.018
  226    HG   LEU  30           HG       LEU  30  42.084   1.229   2.967
  227   1HD1  LEU  30          1HD1      LEU  30  40.627   3.174   4.704
  228   2HD1  LEU  30          2HD1      LEU  30  39.922   2.791   3.133
  229   3HD1  LEU  30          3HD1      LEU  30  40.223   1.505   4.301
  230   1HD2  LEU  30          1HD2      LEU  30  43.253   3.418   2.045
  231   2HD2  LEU  30          2HD2      LEU  30  41.807   2.788   1.256
  232   3HD2  LEU  30          3HD2      LEU  30  41.681   4.145   2.375
  233    H    LEU  31           H        LEU  31  42.173  -0.714   3.945
  234    HA   LEU  31           HA       LEU  31  40.074  -0.784   5.858
  235   1HB   LEU  31          1HB       LEU  31  40.126  -1.934   3.588
  236   2HB   LEU  31          2HB       LEU  31  41.099  -3.197   4.344
  237    HG   LEU  31           HG       LEU  31  39.254  -3.397   6.091
  238   1HD1  LEU  31          1HD1      LEU  31  38.094  -1.382   4.217
  239   2HD1  LEU  31          2HD1      LEU  31  37.001  -2.593   4.887
  240   3HD1  LEU  31          3HD1      LEU  31  37.905  -1.529   5.965
  241   1HD2  LEU  31          1HD2      LEU  31  39.614  -4.724   3.788
  242   2HD2  LEU  31          2HD2      LEU  31  38.230  -5.041   4.833
  243   3HD2  LEU  31          3HD2      LEU  31  38.049  -3.997   3.424
  244    H    GLY  32           H        GLY  32  42.870  -3.003   5.613
  245   1HA   GLY  32          1HA       GLY  32  43.934  -3.069   8.070
  246   2HA   GLY  32          2HA       GLY  32  42.398  -3.860   8.406
  247    H    GLU  33           H        GLU  33  44.312  -4.239   5.437
  248    HA   GLU  33           HA       GLU  33  44.340  -7.152   5.907
  249   1HB   GLU  33          1HB       GLU  33  43.685  -6.207   3.674
  250   2HB   GLU  33          2HB       GLU  33  45.336  -5.610   3.497
  251   1HG   GLU  33          1HG       GLU  33  46.220  -7.876   3.647
  252   2HG   GLU  33          2HG       GLU  33  44.605  -8.515   3.958
  253    H    LYS  34           H        LYS  34  46.694  -4.619   5.006
  254    HA   LYS  34           HA       LYS  34  48.765  -6.143   6.505
  255   1HB   LYS  34          1HB       LYS  34  50.404  -5.415   4.729
  256   2HB   LYS  34          2HB       LYS  34  49.203  -6.577   4.167
  257   1HG   LYS  34          1HG       LYS  34  47.819  -4.599   3.374
  258   2HG   LYS  34          2HG       LYS  34  49.221  -3.583   3.712
  259   1HD   LYS  34          1HD       LYS  34  50.469  -5.433   2.263
  260   2HD   LYS  34          2HD       LYS  34  48.852  -5.666   1.597
  261   1HE   LYS  34          1HE       LYS  34  48.946  -2.980   1.512
  262   2HE   LYS  34          2HE       LYS  34  50.672  -3.316   1.377
  263   1HZ   LYS  34          1HZ       LYS  34  49.873  -5.033  -0.375
  264   2HZ   LYS  34          2HZ       LYS  34  48.485  -4.060  -0.441
  265   3HZ   LYS  34          3HZ       LYS  34  50.006  -3.394  -0.800
  Start of MODEL    5
    1   1H    ACE   1          HA1       ACE   1  -0.232  -6.685   4.022
    2   2H    ACE   1          HA2       ACE   1  -1.276  -7.344   2.762
    3   3H    ACE   1          HA3       ACE   1  -0.536  -5.757   2.553
    4    H    ARG   2           H        ARG   2   1.549  -5.642   1.732
    5    HA   ARG   2           HA       ARG   2   3.252  -8.024   1.605
    6   1HB   ARG   2          1HB       ARG   2   1.481  -7.862  -0.410
    7   2HB   ARG   2          2HB       ARG   2   2.727  -6.798  -1.060
    8   1HG   ARG   2          1HG       ARG   2   3.818  -9.269   0.101
    9   2HG   ARG   2          2HG       ARG   2   2.723  -9.563  -1.248
   10   1HD   ARG   2          1HD       ARG   2   4.061  -8.417  -2.767
   11   2HD   ARG   2          2HD       ARG   2   4.804  -7.419  -1.517
   12    HE   ARG   2           HE       ARG   2   6.436  -9.099  -1.245
   13   1HH1  ARG   2          1HH2      ARG   2   5.343  -9.916  -4.077
   14   2HH1  ARG   2          2HH2      ARG   2   5.269 -11.634  -3.867
   15   1HH2  ARG   2          1HH1      ARG   2   5.604 -11.498  -0.419
   16   2HH2  ARG   2          2HH1      ARG   2   5.414 -12.529  -1.799
   17    H    TYR   3           H        TYR   3   2.774  -4.800   0.156
   18    HA   TYR   3           HA       TYR   3   4.248  -3.008  -0.124
   19   1HB   TYR   3          1HB       TYR   3   5.478  -4.278   2.330
   20   2HB   TYR   3          2HB       TYR   3   5.763  -2.629   1.772
   21    HD1  TYR   3           HD1      TYR   3   3.299  -1.492   1.062
   22    HD2  TYR   3           HD2      TYR   3   4.055  -4.355   4.175
   23    HE1  TYR   3           HE1      TYR   3   1.265  -0.727   2.258
   24    HE2  TYR   3           HE2      TYR   3   2.020  -3.590   5.371
   25    HH   TYR   3           HH       TYR   3  -0.032  -2.441   4.972
   26    HA   PRO   4           HA       PRO   4   7.526  -5.414  -2.262
   27   1HB   PRO   4          1HB       PRO   4   7.101  -4.310  -4.718
   28   2HB   PRO   4          2HB       PRO   4   6.192  -5.697  -4.105
   29   1HG   PRO   4          1HG       PRO   4   5.290  -2.960  -4.558
   30   2HG   PRO   4          2HG       PRO   4   4.334  -4.425  -4.287
   31   1HD   PRO   4          1HD       PRO   4   5.003  -2.338  -2.391
   32   2HD   PRO   4          2HD       PRO   4   3.932  -3.732  -2.167
   33    H    TYR   5           H        TYR   5   7.034  -2.240  -3.788
   34    HA   TYR   5           HA       TYR   5   9.792  -1.577  -3.866
   35   1HB   TYR   5          1HB       TYR   5   7.475  -0.550  -4.912
   36   2HB   TYR   5          2HB       TYR   5   7.893   0.675  -3.725
   37    HD1  TYR   5           HD1      TYR   5  10.634   1.115  -3.705
   38    HD2  TYR   5           HD2      TYR   5   8.263  -0.162  -7.050
   39    HE1  TYR   5           HE1      TYR   5  12.352   1.995  -5.257
   40    HE2  TYR   5           HE2      TYR   5   9.982   0.722  -8.603
   41    HH   TYR   5           HH       TYR   5  12.570   1.178  -8.415
   42    H    TYR   6           H        TYR   6   7.496  -1.397  -1.268
   43    HA   TYR   6           HA       TYR   6   8.592   0.749   0.243
   44   1HB   TYR   6          1HB       TYR   6   6.423  -0.714   0.592
   45   2HB   TYR   6          2HB       TYR   6   7.495  -1.684   1.602
   46    HD1  TYR   6           HD1      TYR   6   8.665  -0.645   3.549
   47    HD2  TYR   6           HD2      TYR   6   5.684   1.460   1.286
   48    HE1  TYR   6           HE1      TYR   6   8.444   1.010   5.383
   49    HE2  TYR   6           HE2      TYR   6   5.462   3.116   3.118
   50    HH   TYR   6           HH       TYR   6   7.346   3.860   5.161
   51    H    LEU   7           H        LEU   7   9.270  -2.745   0.440
   52    HA   LEU   7           HA       LEU   7  11.426  -2.319   2.365
   53   1HB   LEU   7          1HB       LEU   7   9.797  -4.407   1.913
   54   2HB   LEU   7          2HB       LEU   7  11.165  -4.909   0.923
   55    HG   LEU   7           HG       LEU   7  12.106  -3.883   3.472
   56   1HD1  LEU   7          1HD1      LEU   7   9.675  -4.854   3.932
   57   2HD1  LEU   7          2HD1      LEU   7  10.524  -6.397   3.840
   58   3HD1  LEU   7          3HD1      LEU   7  11.010  -5.193   5.035
   59   1HD2  LEU   7          1HD2      LEU   7  12.329  -6.354   1.801
   60   2HD2  LEU   7          2HD2      LEU   7  13.601  -5.304   2.425
   61   3HD2  LEU   7          3HD2      LEU   7  12.811  -6.462   3.494
   62    H    SER   8           H        SER   8  11.255  -3.341  -1.061
   63    HA   SER   8           HA       SER   8  14.058  -3.710  -1.421
   64   1HB   SER   8          1HB       SER   8  13.512  -3.332  -3.876
   65   2HB   SER   8          2HB       SER   8  12.579  -4.594  -3.075
   66    HG   SER   8           HG       SER   8  11.756  -1.895  -3.409
   67    H    ASP   9           H        ASP   9  12.306  -0.773  -0.989
   68    HA   ASP   9           HA       ASP   9  13.825   1.017  -2.596
   69   1HB   ASP   9          1HB       ASP   9  11.875   1.193  -0.459
   70   2HB   ASP   9          2HB       ASP   9  13.144   2.391  -0.215
   71    H    ILE  10           H        ILE  10  14.133   1.029   0.951
   72    HA   ILE  10           HA       ILE  10  16.758   2.111   0.938
   73    HB   ILE  10           HB       ILE  10  15.445   0.445   3.109
   74   1HG1  ILE  10          1HG1      ILE  10  15.493   3.458   2.732
   75   2HG1  ILE  10          2HG1      ILE  10  14.114   2.436   2.326
   76   1HG2  ILE  10          1HG2      ILE  10  17.902   2.157   2.962
   77   2HG2  ILE  10          2HG2      ILE  10  16.973   2.146   4.461
   78   3HG2  ILE  10          3HG2      ILE  10  17.646   0.643   3.829
   79   1HD1  ILE  10          1HD1      ILE  10  14.141   1.604   4.713
   80   2HD1  ILE  10          2HD1      ILE  10  15.349   2.840   5.062
   81   3HD1  ILE  10          3HD1      ILE  10  13.730   3.311   4.542
   82    H    THR  11           H        THR  11  15.678  -1.247   0.805
   83    HA   THR  11           HA       THR  11  18.098  -2.539   1.542
   84    HB   THR  11           HB       THR  11  16.193  -3.487  -0.613
   85    HG1  THR  11           HG1      THR  11  14.929  -4.250   1.018
   86   1HG2  THR  11          1HG2      THR  11  18.237  -4.755   1.179
   87   2HG2  THR  11          2HG2      THR  11  16.848  -5.699   0.642
   88   3HG2  THR  11          3HG2      THR  11  17.957  -5.008  -0.543
   89    H    ASP  12           H        ASP  12  17.023  -1.436  -1.682
   90    HA   ASP  12           HA       ASP  12  19.357  -2.366  -3.071
   91   1HB   ASP  12          1HB       ASP  12  17.031  -0.640  -3.657
   92   2HB   ASP  12          2HB       ASP  12  18.477  -0.263  -4.593
   93    H    VAL  13           H        VAL  13  18.576   0.665  -1.434
   94    HA   VAL  13           HA       VAL  13  20.900   2.101  -2.366
   95    HB   VAL  13           HB       VAL  13  19.385   2.617   0.188
   96   1HG1  VAL  13          1HG1      VAL  13  21.548   3.836  -0.267
   97   2HG1  VAL  13          2HG1      VAL  13  20.790   4.513  -1.708
   98   3HG1  VAL  13          3HG1      VAL  13  20.143   4.890  -0.111
   99   1HG2  VAL  13          1HG2      VAL  13  18.725   3.312  -2.680
  100   2HG2  VAL  13          2HG2      VAL  13  17.691   2.518  -1.492
  101   3HG2  VAL  13          3HG2      VAL  13  18.075   4.230  -1.322
  102    H    ILE  14           H        ILE  14  20.380  -0.231   0.179
  103    HA   ILE  14           HA       ILE  14  22.743   0.483   1.717
  104    HB   ILE  14           HB       ILE  14  21.001  -2.009   1.676
  105   1HG1  ILE  14          1HG1      ILE  14  21.291   0.070   3.852
  106   2HG1  ILE  14          2HG1      ILE  14  20.132   0.262   2.536
  107   1HG2  ILE  14          1HG2      ILE  14  23.315  -1.267   3.501
  108   2HG2  ILE  14          2HG2      ILE  14  22.149  -2.541   3.859
  109   3HG2  ILE  14          3HG2      ILE  14  23.207  -2.682   2.454
  110   1HD1  ILE  14          1HD1      ILE  14  19.215  -2.015   3.120
  111   2HD1  ILE  14          2HD1      ILE  14  20.257  -2.002   4.543
  112   3HD1  ILE  14          3HD1      ILE  14  18.979  -0.799   4.376
  113    H    PHE  15           H        PHE  15  22.025  -1.742  -0.931
  114    HA   PHE  15           HA       PHE  15  24.493  -3.202  -0.841
  115   1HB   PHE  15          1HB       PHE  15  22.420  -3.839  -2.153
  116   2HB   PHE  15          2HB       PHE  15  22.874  -2.601  -3.327
  117    HD1  PHE  15           HD1      PHE  15  25.112  -2.748  -4.482
  118    HD2  PHE  15           HD2      PHE  15  23.532  -5.949  -2.094
  119    HE1  PHE  15           HE1      PHE  15  26.722  -4.320  -5.524
  120    HE2  PHE  15           HE2      PHE  15  25.141  -7.522  -3.135
  121    HZ   PHE  15           HZ       PHE  15  26.736  -6.707  -4.850
  122    H    ILE  16           H        ILE  16  23.516  -0.436  -2.902
  123    HA   ILE  16           HA       ILE  16  26.102  -0.094  -4.092
  124    HB   ILE  16           HB       ILE  16  23.979   2.025  -3.652
  125   1HG1  ILE  16          1HG1      ILE  16  23.014   0.047  -4.764
  126   2HG1  ILE  16          2HG1      ILE  16  23.167   1.378  -5.907
  127   1HG2  ILE  16          1HG2      ILE  16  26.487   1.825  -5.257
  128   2HG2  ILE  16          2HG2      ILE  16  25.113   2.642  -6.003
  129   3HG2  ILE  16          3HG2      ILE  16  25.763   3.228  -4.471
  130   1HD1  ILE  16          1HD1      ILE  16  25.377   0.376  -6.635
  131   2HD1  ILE  16          2HD1      ILE  16  24.986  -1.030  -5.646
  132   3HD1  ILE  16          3HD1      ILE  16  23.963  -0.607  -7.019
  133    H    TYR  17           H        TYR  17  24.741   0.965  -1.043
  134    HA   TYR  17           HA       TYR  17  26.540   3.091  -0.448
  135   1HB   TYR  17          1HB       TYR  17  24.500   2.586   0.878
  136   2HB   TYR  17          2HB       TYR  17  25.267   1.116   1.474
  137    HD1  TYR  17           HD1      TYR  17  26.603   4.593   0.955
  138    HD2  TYR  17           HD2      TYR  17  25.779   1.419   3.733
  139    HE1  TYR  17           HE1      TYR  17  27.706   5.886   2.761
  140    HE2  TYR  17           HE2      TYR  17  26.880   2.714   5.536
  141    HH   TYR  17           HH       TYR  17  27.308   5.661   5.683
  142    H    PHE  18           H        PHE  18  26.851  -0.416  -0.077
  143    HA   PHE  18           HA       PHE  18  29.446  -0.186   1.268
  144   1HB   PHE  18          1HB       PHE  18  27.536  -2.318   0.619
  145   2HB   PHE  18          2HB       PHE  18  29.214  -2.813   0.404
  146    HD1  PHE  18           HD1      PHE  18  26.864  -1.232   2.841
  147    HD2  PHE  18           HD2      PHE  18  30.587  -3.295   2.263
  148    HE1  PHE  18           HE1      PHE  18  27.114  -1.471   5.298
  149    HE2  PHE  18           HE2      PHE  18  30.837  -3.535   4.718
  150    HZ   PHE  18           HZ       PHE  18  29.100  -2.624   6.235
  151    H    ALA  19           H        ALA  19  28.290  -0.429  -2.005
  152    HA   ALA  19           HA       ALA  19  30.638  -1.523  -3.252
  153   1HB   ALA  19          1HB       ALA  19  28.370  -1.278  -4.325
  154   2HB   ALA  19          2HB       ALA  19  28.667   0.457  -4.428
  155   3HB   ALA  19          3HB       ALA  19  29.694  -0.667  -5.316
  156    H    ALA  20           H        ALA  20  29.525   1.810  -2.807
  157    HA   ALA  20           HA       ALA  20  31.591   3.244  -4.023
  158   1HB   ALA  20          1HB       ALA  20  29.973   3.801  -1.539
  159   2HB   ALA  20          2HB       ALA  20  31.102   4.980  -2.205
  160   3HB   ALA  20          3HB       ALA  20  29.723   4.442  -3.164
  161    H    LEU  21           H        LEU  21  31.477   2.130  -0.664
  162    HA   LEU  21           HA       LEU  21  34.220   3.024  -0.150
  163   1HB   LEU  21          1HB       LEU  21  32.146   1.588   1.503
  164   2HB   LEU  21          2HB       LEU  21  33.782   1.857   2.091
  165    HG   LEU  21           HG       LEU  21  32.331   3.640   2.904
  166   1HD1  LEU  21          1HD1      LEU  21  34.716   4.121   2.011
  167   2HD1  LEU  21          2HD1      LEU  21  33.898   4.891   0.653
  168   3HD1  LEU  21          3HD1      LEU  21  33.648   5.497   2.290
  169   1HD2  LEU  21          1HD2      LEU  21  30.761   3.332   0.842
  170   2HD2  LEU  21          2HD2      LEU  21  30.933   4.941   1.542
  171   3HD2  LEU  21          3HD2      LEU  21  31.813   4.520   0.073
  172    H    SER  22           H        SER  22  32.844   0.149  -1.401
  173    HA   SER  22           HA       SER  22  34.411  -1.894  -0.303
  174   1HB   SER  22          1HB       SER  22  32.787  -2.669  -1.773
  175   2HB   SER  22          2HB       SER  22  33.169  -1.475  -3.001
  176    HG   SER  22           HG       SER  22  34.346  -3.935  -2.441
  177    HA   PRO  23           HA       PRO  23  37.951  -0.945  -3.488
  178   1HB   PRO  23          1HB       PRO  23  37.866   1.418  -4.844
  179   2HB   PRO  23          2HB       PRO  23  37.162  -0.081  -5.447
  180   1HG   PRO  23          1HG       PRO  23  35.824   2.294  -4.322
  181   2HG   PRO  23          2HG       PRO  23  35.232   1.119  -5.507
  182   1HD   PRO  23          1HD       PRO  23  34.541   1.184  -2.799
  183   2HD   PRO  23          2HD       PRO  23  34.288  -0.172  -3.905
  184    H    ALA  24           H        ALA  24  36.862   2.330  -2.639
  185    HA   ALA  24           HA       ALA  24  39.276   3.495  -1.916
  186   1HB   ALA  24          1HB       ALA  24  36.468   3.863  -0.954
  187   2HB   ALA  24          2HB       ALA  24  37.765   4.717  -0.117
  188   3HB   ALA  24          3HB       ALA  24  37.503   4.982  -1.842
  189    H    ILE  25           H        ILE  25  37.489   1.113  -0.067
  190    HA   ILE  25           HA       ILE  25  39.151   1.536   2.330
  191    HB   ILE  25           HB       ILE  25  36.921  -0.440   1.732
  192   1HG1  ILE  25          1HG1      ILE  25  36.218   1.928   1.912
  193   2HG1  ILE  25          2HG1      ILE  25  35.620   0.980   3.271
  194   1HG2  ILE  25          1HG2      ILE  25  38.533  -1.339   3.403
  195   2HG2  ILE  25          2HG2      ILE  25  38.332   0.124   4.366
  196   3HG2  ILE  25          3HG2      ILE  25  36.970  -0.973   4.132
  197   1HD1  ILE  25          1HD1      ILE  25  37.650   1.772   4.577
  198   2HD1  ILE  25          2HD1      ILE  25  37.976   2.886   3.249
  199   3HD1  ILE  25          3HD1      ILE  25  36.485   3.033   4.179
  200    H    THR  26           H        THR  26  38.678  -0.955  -0.186
  201    HA   THR  26           HA       THR  26  40.606  -2.791   0.945
  202    HB   THR  26           HB       THR  26  39.752  -2.617  -1.958
  203    HG1  THR  26           HG1      THR  26  38.102  -4.089  -1.241
  204   1HG2  THR  26          1HG2      THR  26  41.650  -4.163  -1.217
  205   2HG2  THR  26          2HG2      THR  26  40.435  -5.042  -0.287
  206   3HG2  THR  26          3HG2      THR  26  40.298  -4.938  -2.043
  207    H    PHE  27           H        PHE  27  40.857  -0.962  -2.127
  208    HA   PHE  27           HA       PHE  27  43.676  -1.221  -2.374
  209   1HB   PHE  27          1HB       PHE  27  41.901  -0.396  -4.097
  210   2HB   PHE  27          2HB       PHE  27  42.194   1.195  -3.395
  211    HD1  PHE  27           HD1      PHE  27  44.297  -1.763  -4.364
  212    HD2  PHE  27           HD2      PHE  27  43.717   2.486  -4.581
  213    HE1  PHE  27           HE1      PHE  27  46.370  -1.550  -5.708
  214    HE2  PHE  27           HE2      PHE  27  45.791   2.701  -5.927
  215    HZ   PHE  27           HZ       PHE  27  47.117   0.682  -6.489
  216    H    GLY  28           H        GLY  28  45.097  -0.520  -0.853
  217   1HA   GLY  28          1HA       GLY  28  45.934   1.971  -0.282
  218   2HA   GLY  28          2HA       GLY  28  44.509   1.879   0.753
  219    H    GLY  29           H        GLY  29  47.146   2.158   1.785
  220   1HA   GLY  29          1HA       GLY  29  47.297  -0.328   3.385
  221   2HA   GLY  29          2HA       GLY  29  48.767   0.223   2.585
  222    H    LEU  30           H        LEU  30  49.412   2.534   3.090
  223    HA   LEU  30           HA       LEU  30  49.264   2.943   5.996
  224   1HB   LEU  30          1HB       LEU  30  50.824   4.172   3.736
  225   2HB   LEU  30          2HB       LEU  30  50.746   4.991   5.297
  226    HG   LEU  30           HG       LEU  30  51.334   2.084   5.399
  227   1HD1  LEU  30          1HD1      LEU  30  53.259   4.115   4.238
  228   2HD1  LEU  30          2HD1      LEU  30  53.776   2.570   4.915
  229   3HD1  LEU  30          3HD1      LEU  30  52.718   2.605   3.504
  230   1HD2  LEU  30          1HD2      LEU  30  51.316   4.038   7.232
  231   2HD2  LEU  30          2HD2      LEU  30  52.433   2.678   7.343
  232   3HD2  LEU  30          3HD2      LEU  30  52.983   4.220   6.686
  233    H    LEU  31           H        LEU  31  47.627   4.109   6.870
  234    HA   LEU  31           HA       LEU  31  45.765   5.662   5.358
  235   1HB   LEU  31          1HB       LEU  31  46.255   5.026   8.175
  236   2HB   LEU  31          2HB       LEU  31  45.639   6.662   7.962
  237    HG   LEU  31           HG       LEU  31  43.788   5.065   8.246
  238   1HD1  LEU  31          1HD1      LEU  31  43.853   7.060   6.473
  239   2HD1  LEU  31          2HD1      LEU  31  43.647   5.727   5.337
  240   3HD1  LEU  31          3HD1      LEU  31  42.455   5.993   6.608
  241   1HD2  LEU  31          1HD2      LEU  31  45.090   3.127   7.230
  242   2HD2  LEU  31          2HD2      LEU  31  43.406   3.252   6.722
  243   3HD2  LEU  31          3HD2      LEU  31  44.693   3.799   5.648
  244    H    GLY  32           H        GLY  32  48.262   6.809   7.670
  245   1HA   GLY  32          1HA       GLY  32  48.040   9.547   6.679
  246   2HA   GLY  32          2HA       GLY  32  49.200   8.970   7.876
  247    H    GLU  33           H        GLU  33  49.971  10.710   5.796
  248    HA   GLU  33           HA       GLU  33  51.090   9.304   3.540
  249   1HB   GLU  33          1HB       GLU  33  51.792  11.978   4.788
  250   2HB   GLU  33          2HB       GLU  33  52.459  11.394   3.263
  251   1HG   GLU  33          1HG       GLU  33  50.436  11.587   2.142
  252   2HG   GLU  33          2HG       GLU  33  49.483  11.396   3.615
  253    H    LYS  34           H        LYS  34  52.670  10.688   6.447
  254    HA   LYS  34           HA       LYS  34  55.051   9.030   5.925
  255   1HB   LYS  34          1HB       LYS  34  54.386  11.311   7.748
  256   2HB   LYS  34          2HB       LYS  34  55.708  10.237   8.200
  257   1HG   LYS  34          1HG       LYS  34  57.074  11.068   6.599
  258   2HG   LYS  34          2HG       LYS  34  55.811  11.000   5.371
  259   1HD   LYS  34          1HD       LYS  34  55.547  13.092   7.482
  260   2HD   LYS  34          2HD       LYS  34  56.794  13.330   6.258
  261   1HE   LYS  34          1HE       LYS  34  55.252  13.442   4.512
  262   2HE   LYS  34          2HE       LYS  34  54.031  12.530   5.400
  263   1HZ   LYS  34          1HZ       LYS  34  54.063  14.533   6.978
  264   2HZ   LYS  34          2HZ       LYS  34  54.805  15.360   5.696
  265   3HZ   LYS  34          3HZ       LYS  34  53.256  14.690   5.491
  Start of MODEL    6
    1   1H    ACE   1          HA1       ACE   1   5.539   6.469 -14.202
    2   2H    ACE   1          HA2       ACE   1   6.381   6.491 -12.653
    3   3H    ACE   1          HA3       ACE   1   5.995   4.953 -13.425
    4    H    ARG   2           H        ARG   2   8.597   6.560 -12.685
    5    HA   ARG   2           HA       ARG   2   9.972   5.946 -15.251
    6   1HB   ARG   2          1HB       ARG   2  10.604   8.270 -13.412
    7   2HB   ARG   2          2HB       ARG   2  11.439   7.877 -14.915
    8   1HG   ARG   2          1HG       ARG   2   8.461   8.350 -14.876
    9   2HG   ARG   2          2HG       ARG   2   9.595   9.696 -15.004
   10   1HD   ARG   2          1HD       ARG   2  10.539   8.812 -17.033
   11   2HD   ARG   2          2HD       ARG   2   9.660   7.294 -16.848
   12    HE   ARG   2           HE       ARG   2   8.331   9.908 -17.447
   13   1HH1  ARG   2          1HH2      ARG   2   8.829   7.929 -19.660
   14   2HH1  ARG   2          2HH2      ARG   2   7.320   7.080 -19.724
   15   1HH2  ARG   2          1HH1      ARG   2   6.259   8.186 -16.616
   16   2HH2  ARG   2          2HH1      ARG   2   5.867   7.226 -18.004
   17    H    TYR   3           H        TYR   3  10.813   6.852 -11.901
   18    HA   TYR   3           HA       TYR   3  12.341   4.322 -11.674
   19   1HB   TYR   3          1HB       TYR   3  13.442   7.102 -11.206
   20   2HB   TYR   3          2HB       TYR   3  14.223   5.641 -10.599
   21    HD1  TYR   3           HD1      TYR   3  13.103   7.393 -13.678
   22    HD2  TYR   3           HD2      TYR   3  15.461   4.198 -12.043
   23    HE1  TYR   3           HE1      TYR   3  14.148   7.029 -15.898
   24    HE2  TYR   3           HE2      TYR   3  16.507   3.833 -14.262
   25    HH   TYR   3           HH       TYR   3  15.661   4.361 -16.797
   26    HA   PRO   4           HA       PRO   4   9.984   5.354  -7.787
   27   1HB   PRO   4          1HB       PRO   4   7.988   3.510  -8.038
   28   2HB   PRO   4          2HB       PRO   4   7.882   5.151  -8.688
   29   1HG   PRO   4          1HG       PRO   4   8.123   2.623 -10.117
   30   2HG   PRO   4          2HG       PRO   4   7.699   4.225 -10.741
   31   1HD   PRO   4          1HD       PRO   4  10.264   2.858 -10.859
   32   2HD   PRO   4          2HD       PRO   4   9.774   4.371 -11.639
   33    H    TYR   5           H        TYR   5   9.466   1.964  -8.716
   34    HA   TYR   5           HA       TYR   5  10.544   1.004  -6.200
   35   1HB   TYR   5          1HB       TYR   5   8.749   0.007  -7.962
   36   2HB   TYR   5          2HB       TYR   5  10.184  -0.877  -8.473
   37    HD1  TYR   5           HD1      TYR   5  11.541  -2.116  -6.679
   38    HD2  TYR   5           HD2      TYR   5   7.567  -0.625  -6.020
   39    HE1  TYR   5           HE1      TYR   5  11.289  -3.643  -4.742
   40    HE2  TYR   5           HE2      TYR   5   7.314  -2.153  -4.083
   41    HH   TYR   5           HH       TYR   5   8.993  -4.733  -3.550
   42    H    TYR   6           H        TYR   6  11.812   1.483  -9.430
   43    HA   TYR   6           HA       TYR   6  14.053  -0.293  -9.264
   44   1HB   TYR   6          1HB       TYR   6  12.998   1.185 -11.247
   45   2HB   TYR   6          2HB       TYR   6  14.320   2.253 -10.781
   46    HD1  TYR   6           HD1      TYR   6  13.805  -1.451 -11.155
   47    HD2  TYR   6           HD2      TYR   6  16.278   1.956 -12.011
   48    HE1  TYR   6           HE1      TYR   6  15.400  -2.913 -12.366
   49    HE2  TYR   6           HE2      TYR   6  17.873   0.492 -13.222
   50    HH   TYR   6           HH       TYR   6  17.159  -2.520 -14.283
   51    H    LEU   7           H        LEU   7  13.447   2.849  -7.870
   52    HA   LEU   7           HA       LEU   7  16.265   3.460  -7.408
   53   1HB   LEU   7          1HB       LEU   7  14.474   5.211  -7.663
   54   2HB   LEU   7          2HB       LEU   7  13.835   4.706  -6.098
   55    HG   LEU   7           HG       LEU   7  16.111   5.147  -5.111
   56   1HD1  LEU   7          1HD1      LEU   7  16.589   5.907  -7.960
   57   2HD1  LEU   7          2HD1      LEU   7  17.364   6.883  -6.711
   58   3HD1  LEU   7          3HD1      LEU   7  17.683   5.150  -6.802
   59   1HD2  LEU   7          1HD2      LEU   7  14.497   7.337  -6.423
   60   2HD2  LEU   7          2HD2      LEU   7  14.498   6.842  -4.730
   61   3HD2  LEU   7          3HD2      LEU   7  15.881   7.709  -5.397
   62    H    SER   8           H        SER   8  13.734   1.752  -5.702
   63    HA   SER   8           HA       SER   8  14.760   1.934  -3.048
   64   1HB   SER   8          1HB       SER   8  13.488  -0.595  -4.032
   65   2HB   SER   8          2HB       SER   8  13.258   0.243  -2.500
   66    HG   SER   8           HG       SER   8  11.625   0.377  -4.388
   67    H    ASP   9           H        ASP   9  15.454  -0.377  -5.653
   68    HA   ASP   9           HA       ASP   9  17.221  -2.039  -4.125
   69   1HB   ASP   9          1HB       ASP   9  16.151  -2.542  -6.407
   70   2HB   ASP   9          2HB       ASP   9  17.454  -1.574  -7.100
   71    H    ILE  10           H        ILE  10  17.675   1.044  -5.723
   72    HA   ILE  10           HA       ILE  10  20.539   0.956  -5.939
   73    HB   ILE  10           HB       ILE  10  18.839   3.423  -5.471
   74   1HG1  ILE  10          1HG1      ILE  10  17.896   2.126  -7.340
   75   2HG1  ILE  10          2HG1      ILE  10  18.699   3.570  -7.945
   76   1HG2  ILE  10          1HG2      ILE  10  21.320   3.664  -5.308
   77   2HG2  ILE  10          2HG2      ILE  10  21.458   3.039  -6.950
   78   3HG2  ILE  10          3HG2      ILE  10  20.633   4.570  -6.656
   79   1HD1  ILE  10          1HD1      ILE  10  20.774   1.823  -8.021
   80   2HD1  ILE  10          2HD1      ILE  10  19.431   0.714  -8.292
   81   3HD1  ILE  10          3HD1      ILE  10  19.679   2.080  -9.379
   82    H    THR  11           H        THR  11  18.413   2.350  -3.407
   83    HA   THR  11           HA       THR  11  20.464   3.214  -1.649
   84    HB   THR  11           HB       THR  11  17.823   2.038  -0.748
   85    HG1  THR  11           HG1      THR  11  17.196   3.465  -2.236
   86   1HG2  THR  11          1HG2      THR  11  19.859   3.937   0.366
   87   2HG2  THR  11          2HG2      THR  11  18.168   4.118   0.832
   88   3HG2  THR  11          3HG2      THR  11  19.018   2.609   1.166
   89    H    ASP  12           H        ASP  12  18.949   0.017  -1.999
   90    HA   ASP  12           HA       ASP  12  20.206  -1.213   0.258
   91   1HB   ASP  12          1HB       ASP  12  18.800  -2.112  -2.183
   92   2HB   ASP  12          2HB       ASP  12  19.976  -3.265  -1.552
   93    H    VAL  13           H        VAL  13  21.249  -0.654  -3.058
   94    HA   VAL  13           HA       VAL  13  23.628  -2.234  -3.016
   95    HB   VAL  13           HB       VAL  13  23.053   0.317  -4.537
   96   1HG1  VAL  13          1HG1      VAL  13  25.173  -1.815  -4.782
   97   2HG1  VAL  13          2HG1      VAL  13  24.699  -0.837  -6.171
   98   3HG1  VAL  13          3HG1      VAL  13  25.379  -0.064  -4.739
   99   1HG2  VAL  13          1HG2      VAL  13  21.614  -1.980  -4.675
  100   2HG2  VAL  13          2HG2      VAL  13  21.878  -0.921  -6.060
  101   3HG2  VAL  13          3HG2      VAL  13  22.892  -2.346  -5.834
  102    H    ILE  14           H        ILE  14  23.022   1.170  -2.165
  103    HA   ILE  14           HA       ILE  14  25.799   1.546  -1.293
  104    HB   ILE  14           HB       ILE  14  23.369   3.361  -1.093
  105   1HG1  ILE  14          1HG1      ILE  14  24.955   4.557  -2.876
  106   2HG1  ILE  14          2HG1      ILE  14  25.512   2.904  -3.132
  107   1HG2  ILE  14          1HG2      ILE  14  26.257   3.679  -0.308
  108   2HG2  ILE  14          2HG2      ILE  14  25.371   5.078  -0.914
  109   3HG2  ILE  14          3HG2      ILE  14  24.810   4.237   0.531
  110   1HD1  ILE  14          1HD1      ILE  14  22.567   3.366  -3.008
  111   2HD1  ILE  14          2HD1      ILE  14  23.418   3.892  -4.460
  112   3HD1  ILE  14          3HD1      ILE  14  23.483   2.200  -3.964
  113    H    PHE  15           H        PHE  15  23.119   0.070   0.102
  114    HA   PHE  15           HA       PHE  15  23.538   1.060   2.827
  115   1HB   PHE  15          1HB       PHE  15  21.380  -0.012   1.547
  116   2HB   PHE  15          2HB       PHE  15  21.991  -1.428   2.392
  117    HD1  PHE  15           HD1      PHE  15  22.383  -1.280   4.909
  118    HD2  PHE  15           HD2      PHE  15  20.242   1.717   2.698
  119    HE1  PHE  15           HE1      PHE  15  21.389  -0.432   7.018
  120    HE2  PHE  15           HE2      PHE  15  19.249   2.564   4.806
  121    HZ   PHE  15           HZ       PHE  15  19.822   1.490   6.966
  122    H    ILE  16           H        ILE  16  24.281  -1.826   0.908
  123    HA   ILE  16           HA       ILE  16  25.562  -3.147   3.200
  124    HB   ILE  16           HB       ILE  16  25.593  -4.002   0.293
  125   1HG1  ILE  16          1HG1      ILE  16  23.640  -4.880   2.440
  126   2HG1  ILE  16          2HG1      ILE  16  23.265  -3.627   1.257
  127   1HG2  ILE  16          1HG2      ILE  16  26.023  -5.437   2.928
  128   2HG2  ILE  16          2HG2      ILE  16  25.845  -6.264   1.380
  129   3HG2  ILE  16          3HG2      ILE  16  27.211  -5.181   1.650
  130   1HD1  ILE  16          1HD1      ILE  16  24.293  -6.306   0.349
  131   2HD1  ILE  16          2HD1      ILE  16  22.584  -6.092   0.727
  132   3HD1  ILE  16          3HD1      ILE  16  23.334  -5.128  -0.546
  133    H    TYR  17           H        TYR  17  26.496  -1.505   0.215
  134    HA   TYR  17           HA       TYR  17  29.307  -2.077   0.380
  135   1HB   TYR  17          1HB       TYR  17  27.545  -0.559  -1.312
  136   2HB   TYR  17          2HB       TYR  17  28.901   0.473  -0.862
  137    HD1  TYR  17           HD1      TYR  17  28.223  -3.053  -1.964
  138    HD2  TYR  17           HD2      TYR  17  30.854   0.338  -2.121
  139    HE1  TYR  17           HE1      TYR  17  29.670  -4.251  -3.584
  140    HE2  TYR  17           HE2      TYR  17  32.302  -0.859  -3.740
  141    HH   TYR  17           HH       TYR  17  32.685  -3.566  -4.208
  142    H    PHE  18           H        PHE  18  27.454   0.843   1.284
  143    HA   PHE  18           HA       PHE  18  29.687   2.146   2.556
  144   1HB   PHE  18          1HB       PHE  18  27.194   2.931   1.779
  145   2HB   PHE  18          2HB       PHE  18  26.964   2.803   3.520
  146    HD1  PHE  18           HD1      PHE  18  29.612   4.031   1.151
  147    HD2  PHE  18           HD2      PHE  18  27.382   4.720   4.756
  148    HE1  PHE  18           HE1      PHE  18  30.809   6.178   1.480
  149    HE2  PHE  18           HE2      PHE  18  28.579   6.866   5.087
  150    HZ   PHE  18           HZ       PHE  18  30.293   7.595   3.449
  151    H    ALA  19           H        ALA  19  27.268  -0.134   3.643
  152    HA   ALA  19           HA       ALA  19  27.372   0.195   6.435
  153   1HB   ALA  19          1HB       ALA  19  26.894  -2.117   4.605
  154   2HB   ALA  19          2HB       ALA  19  27.122  -2.452   6.321
  155   3HB   ALA  19          3HB       ALA  19  25.816  -1.390   5.797
  156    H    ALA  20           H        ALA  20  29.405  -1.951   4.455
  157    HA   ALA  20           HA       ALA  20  31.084  -2.731   6.680
  158   1HB   ALA  20          1HB       ALA  20  31.134  -3.149   3.716
  159   2HB   ALA  20          2HB       ALA  20  32.547  -3.576   4.680
  160   3HB   ALA  20          3HB       ALA  20  30.992  -4.341   5.008
  161    H    LEU  21           H        LEU  21  31.881  -0.825   3.765
  162    HA   LEU  21           HA       LEU  21  34.497  -0.125   4.660
  163   1HB   LEU  21          1HB       LEU  21  32.704   0.684   2.457
  164   2HB   LEU  21          2HB       LEU  21  33.937   1.865   2.897
  165    HG   LEU  21           HG       LEU  21  34.531  -1.057   2.361
  166   1HD1  LEU  21          1HD1      LEU  21  33.635   0.366   0.390
  167   2HD1  LEU  21          2HD1      LEU  21  35.160   1.243   0.511
  168   3HD1  LEU  21          3HD1      LEU  21  35.162  -0.485   0.157
  169   1HD2  LEU  21          1HD2      LEU  21  36.119   1.382   3.063
  170   2HD2  LEU  21          2HD2      LEU  21  36.344  -0.288   3.582
  171   3HD2  LEU  21          3HD2      LEU  21  36.847   0.208   1.966
  172    H    SER  22           H        SER  22  31.548   1.893   4.692
  173    HA   SER  22           HA       SER  22  32.438   4.308   5.575
  174   1HB   SER  22          1HB       SER  22  30.069   3.849   5.275
  175   2HB   SER  22          2HB       SER  22  30.046   2.869   6.733
  176    HG   SER  22           HG       SER  22  29.347   5.018   7.112
  177    HA   PRO  23           HA       PRO  23  32.727   3.034  10.279
  178   1HB   PRO  23          1HB       PRO  23  32.992   0.361  10.801
  179   2HB   PRO  23          2HB       PRO  23  31.454   1.220  10.827
  180   1HG   PRO  23          1HG       PRO  23  32.573  -0.549   8.723
  181   2HG   PRO  23          2HG       PRO  23  30.900  -0.376   9.278
  182   1HD   PRO  23          1HD       PRO  23  31.796   0.766   6.984
  183   2HD   PRO  23          2HD       PRO  23  30.498   1.458   7.961
  184    H    ALA  24           H        ALA  24  34.236   0.448   8.389
  185    HA   ALA  24           HA       ALA  24  36.708   0.244   9.646
  186   1HB   ALA  24          1HB       ALA  24  35.722  -0.956   7.520
  187   2HB   ALA  24          2HB       ALA  24  36.649   0.266   6.649
  188   3HB   ALA  24          3HB       ALA  24  37.469  -0.850   7.742
  189    H    ILE  25           H        ILE  25  35.628   2.867   7.573
  190    HA   ILE  25           HA       ILE  25  38.206   4.006   7.008
  191    HB   ILE  25           HB       ILE  25  35.438   5.254   7.169
  192   1HG1  ILE  25          1HG1      ILE  25  35.737   3.589   5.384
  193   2HG1  ILE  25          2HG1      ILE  25  35.600   5.205   4.700
  194   1HG2  ILE  25          1HG2      ILE  25  38.080   6.450   6.293
  195   2HG2  ILE  25          2HG2      ILE  25  36.525   7.101   5.776
  196   3HG2  ILE  25          3HG2      ILE  25  36.948   7.083   7.488
  197   1HD1  ILE  25          1HD1      ILE  25  38.188   5.243   4.776
  198   2HD1  ILE  25          2HD1      ILE  25  38.072   3.498   5.000
  199   3HD1  ILE  25          3HD1      ILE  25  37.424   4.245   3.540
  200    H    THR  26           H        THR  26  35.741   5.222   9.309
  201    HA   THR  26           HA       THR  26  37.804   6.629  10.836
  202    HB   THR  26           HB       THR  26  34.889   6.213  11.553
  203    HG1  THR  26           HG1      THR  26  36.120   8.305  10.088
  204   1HG2  THR  26          1HG2      THR  26  37.083   8.062  12.460
  205   2HG2  THR  26          2HG2      THR  26  35.390   8.529  12.621
  206   3HG2  THR  26          3HG2      THR  26  35.988   7.086  13.439
  207    H    PHE  27           H        PHE  27  35.326   4.237  11.829
  208    HA   PHE  27           HA       PHE  27  36.826   3.476  14.193
  209   1HB   PHE  27          1HB       PHE  27  34.336   3.311  14.011
  210   2HB   PHE  27          2HB       PHE  27  34.539   2.018  12.831
  211    HD1  PHE  27           HD1      PHE  27  35.669   2.974  16.285
  212    HD2  PHE  27           HD2      PHE  27  34.601  -0.188  13.580
  213    HE1  PHE  27           HE1      PHE  27  35.905   1.323  18.121
  214    HE2  PHE  27           HE2      PHE  27  34.838  -1.839  15.416
  215    HZ   PHE  27           HZ       PHE  27  35.490  -1.084  17.686
  216    H    GLY  28           H        GLY  28  38.501   2.059  14.258
  217   1HA   GLY  28          1HA       GLY  28  39.564  -0.049  13.773
  218   2HA   GLY  28          2HA       GLY  28  38.621  -0.146  12.287
  219    H    GLY  29           H        GLY  29  40.971  -0.682  11.563
  220   1HA   GLY  29          1HA       GLY  29  42.141   0.576   9.681
  221   2HA   GLY  29          2HA       GLY  29  42.391   1.847  10.875
  222    H    LEU  30           H        LEU  30  42.694  -1.680  11.238
  223    HA   LEU  30           HA       LEU  30  45.361  -1.274  12.445
  224   1HB   LEU  30          1HB       LEU  30  45.201  -3.754  12.907
  225   2HB   LEU  30          2HB       LEU  30  43.933  -2.787  13.658
  226    HG   LEU  30           HG       LEU  30  43.258  -3.710  10.941
  227   1HD1  LEU  30          1HD1      LEU  30  44.643  -5.590  12.309
  228   2HD1  LEU  30          2HD1      LEU  30  43.034  -5.871  12.972
  229   3HD1  LEU  30          3HD1      LEU  30  43.303  -5.984  11.233
  230   1HD2  LEU  30          1HD2      LEU  30  42.004  -3.306  13.601
  231   2HD2  LEU  30          2HD2      LEU  30  41.370  -2.952  11.995
  232   3HD2  LEU  30          3HD2      LEU  30  41.305  -4.596  12.625
  233    H    LEU  31           H        LEU  31  46.917  -3.260  11.809
  234    HA   LEU  31           HA       LEU  31  47.684  -2.801   9.069
  235   1HB   LEU  31          1HB       LEU  31  49.170  -3.500  11.064
  236   2HB   LEU  31          2HB       LEU  31  48.600  -5.138  10.745
  237    HG   LEU  31           HG       LEU  31  49.286  -4.325   8.222
  238   1HD1  LEU  31          1HD1      LEU  31  50.909  -2.794  10.220
  239   2HD1  LEU  31          2HD1      LEU  31  51.717  -3.414   8.779
  240   3HD1  LEU  31          3HD1      LEU  31  50.354  -2.305   8.618
  241   1HD2  LEU  31          1HD2      LEU  31  49.921  -6.405   9.610
  242   2HD2  LEU  31          2HD2      LEU  31  51.099  -5.847   8.422
  243   3HD2  LEU  31          3HD2      LEU  31  51.327  -5.476  10.131
  244    H    GLY  32           H        GLY  32  45.723  -5.227  10.671
  245   1HA   GLY  32          1HA       GLY  32  45.766  -7.296   8.741
  246   2HA   GLY  32          2HA       GLY  32  44.396  -6.952   9.797
  247    H    GLU  33           H        GLU  33  45.447  -6.969   6.598
  248    HA   GLU  33           HA       GLU  33  44.097  -4.819   5.381
  249   1HB   GLU  33          1HB       GLU  33  43.862  -6.410   3.382
  250   2HB   GLU  33          2HB       GLU  33  45.491  -6.104   3.969
  251   1HG   GLU  33          1HG       GLU  33  45.758  -8.336   4.136
  252   2HG   GLU  33          2HG       GLU  33  44.607  -8.318   5.464
  253    H    LYS  34           H        LYS  34  42.791  -8.082   6.072
  254    HA   LYS  34           HA       LYS  34  40.080  -7.073   5.438
  255   1HB   LYS  34          1HB       LYS  34  40.906  -9.297   4.534
  256   2HB   LYS  34          2HB       LYS  34  40.868  -9.896   6.193
  257   1HG   LYS  34          1HG       LYS  34  38.571  -9.893   6.293
  258   2HG   LYS  34          2HG       LYS  34  38.422  -8.511   5.209
  259   1HD   LYS  34          1HD       LYS  34  37.800 -10.041   3.653
  260   2HD   LYS  34          2HD       LYS  34  39.521 -10.412   3.546
  261   1HE   LYS  34          1HE       LYS  34  38.776 -12.529   4.022
  262   2HE   LYS  34          2HE       LYS  34  38.876 -11.935   5.680
  263   1HZ   LYS  34          1HZ       LYS  34  36.425 -11.566   4.079
  264   2HZ   LYS  34          2HZ       LYS  34  36.707 -13.017   4.911
  265   3HZ   LYS  34          3HZ       LYS  34  36.607 -11.554   5.769
  Start of MODEL    7
    1   1H    ACE   1          HA1       ACE   1  16.173 -16.572   4.258
    2   2H    ACE   1          HA2       ACE   1  14.551 -17.178   4.595
    3   3H    ACE   1          HA3       ACE   1  15.798 -18.279   4.008
    4    H    ARG   2           H        ARG   2  17.215 -16.137   6.130
    5    HA   ARG   2           HA       ARG   2  16.672 -17.853   8.496
    6   1HB   ARG   2          1HB       ARG   2  19.286 -17.267   7.179
    7   2HB   ARG   2          2HB       ARG   2  19.253 -17.388   8.939
    8   1HG   ARG   2          1HG       ARG   2  17.782 -19.513   7.480
    9   2HG   ARG   2          2HG       ARG   2  19.537 -19.540   7.306
   10   1HD   ARG   2          1HD       ARG   2  18.299 -19.215  10.029
   11   2HD   ARG   2          2HD       ARG   2  18.451 -20.819   9.310
   12    HE   ARG   2           HE       ARG   2  20.800 -19.022   9.773
   13   1HH1  ARG   2          1HH1      ARG   2  20.818 -21.623   8.067
   14   2HH1  ARG   2          2HH1      ARG   2  21.528 -22.722   9.200
   15   1HH2  ARG   2          1HH2      ARG   2  21.044 -20.637  11.929
   16   2HH2  ARG   2          2HH2      ARG   2  21.657 -22.164  11.387
   17    H    TYR   3           H        TYR   3  17.879 -14.748   7.285
   18    HA   TYR   3           HA       TYR   3  16.754 -13.401   9.627
   19   1HB   TYR   3          1HB       TYR   3  19.644 -13.903   9.316
   20   2HB   TYR   3          2HB       TYR   3  19.239 -12.215   9.619
   21    HD1  TYR   3           HD1      TYR   3  17.102 -12.094  11.420
   22    HD2  TYR   3           HD2      TYR   3  20.191 -15.074  11.249
   23    HE1  TYR   3           HE1      TYR   3  16.735 -12.612  13.818
   24    HE2  TYR   3           HE2      TYR   3  19.824 -15.592  13.646
   25    HH   TYR   3           HH       TYR   3  18.291 -13.644  15.732
   26    HA   PRO   4           HA       PRO   4  16.478 -10.934   5.723
   27   1HB   PRO   4          1HB       PRO   4  13.804 -10.440   5.930
   28   2HB   PRO   4          2HB       PRO   4  14.474 -11.869   5.143
   29   1HG   PRO   4          1HG       PRO   4  13.104 -11.637   7.736
   30   2HG   PRO   4          2HG       PRO   4  13.274 -13.039   6.668
   31   1HD   PRO   4          1HD       PRO   4  14.747 -12.532   9.026
   32   2HD   PRO   4          2HD       PRO   4  15.057 -13.800   7.832
   33    H    TYR   5           H        TYR   5  14.233 -10.114   8.347
   34    HA   TYR   5           HA       TYR   5  14.582  -7.291   8.125
   35   1HB   TYR   5          1HB       TYR   5  12.625  -8.211   9.224
   36   2HB   TYR   5          2HB       TYR   5  13.623  -9.023  10.425
   37    HD1  TYR   5           HD1      TYR   5  12.876  -5.589   9.096
   38    HD2  TYR   5           HD2      TYR   5  14.055  -7.975  12.468
   39    HE1  TYR   5           HE1      TYR   5  12.783  -3.582  10.552
   40    HE2  TYR   5           HE2      TYR   5  13.963  -5.969  13.922
   41    HH   TYR   5           HH       TYR   5  12.995  -3.798  14.005
   42    H    TYR   6           H        TYR   6  16.480  -9.722   9.787
   43    HA   TYR   6           HA       TYR   6  17.823  -7.817  11.542
   44   1HB   TYR   6          1HB       TYR   6  17.493 -10.250  12.080
   45   2HB   TYR   6          2HB       TYR   6  18.694 -10.626  10.845
   46    HD1  TYR   6           HD1      TYR   6  18.370  -8.069  13.580
   47    HD2  TYR   6           HD2      TYR   6  20.798 -11.084  11.718
   48    HE1  TYR   6           HE1      TYR   6  20.185  -7.612  15.206
   49    HE2  TYR   6           HE2      TYR   6  22.614 -10.626  13.344
   50    HH   TYR   6           HH       TYR   6  23.142  -8.222  14.873
   51    H    LEU   7           H        LEU   7  19.261  -9.952   9.065
   52    HA   LEU   7           HA       LEU   7  21.654  -8.422   8.830
   53   1HB   LEU   7          1HB       LEU   7  20.415 -10.698   7.470
   54   2HB   LEU   7          2HB       LEU   7  21.346  -9.691   6.364
   55    HG   LEU   7           HG       LEU   7  23.102  -9.776   8.387
   56   1HD1  LEU   7          1HD1      LEU   7  21.545 -11.170   9.765
   57   2HD1  LEU   7          2HD1      LEU   7  21.660 -12.440   8.547
   58   3HD1  LEU   7          3HD1      LEU   7  23.091 -11.962   9.460
   59   1HD2  LEU   7          1HD2      LEU   7  22.587 -11.588   6.064
   60   2HD2  LEU   7          2HD2      LEU   7  23.937 -10.491   6.349
   61   3HD2  LEU   7          3HD2      LEU   7  23.865 -12.039   7.193
   62    H    SER   8           H        SER   8  18.512  -7.916   7.447
   63    HA   SER   8           HA       SER   8  19.135  -6.464   5.104
   64   1HB   SER   8          1HB       SER   8  16.922  -5.275   5.597
   65   2HB   SER   8          2HB       SER   8  16.858  -7.030   5.477
   66    HG   SER   8           HG       SER   8  16.365  -5.397   7.601
   67    H    ASP   9           H        ASP   9  19.365  -5.507   8.459
   68    HA   ASP   9           HA       ASP   9  19.394  -2.669   8.100
   69   1HB   ASP   9          1HB       ASP   9  20.132  -4.590  10.212
   70   2HB   ASP   9          2HB       ASP   9  21.078  -3.102  10.241
   71    H    ILE  10           H        ILE  10  22.158  -4.902   8.543
   72    HA   ILE  10           HA       ILE  10  24.159  -2.973   7.830
   73    HB   ILE  10           HB       ILE  10  24.330  -5.988   7.530
   74   1HG1  ILE  10          1HG1      ILE  10  23.572  -5.408   9.808
   75   2HG1  ILE  10          2HG1      ILE  10  25.233  -5.990   9.838
   76   1HG2  ILE  10          1HG2      ILE  10  26.226  -3.755   7.287
   77   2HG2  ILE  10          2HG2      ILE  10  26.779  -5.035   8.368
   78   3HG2  ILE  10          3HG2      ILE  10  26.353  -5.412   6.700
   79   1HD1  ILE  10          1HD1      ILE  10  25.916  -3.506   9.679
   80   2HD1  ILE  10          2HD1      ILE  10  24.242  -3.151  10.108
   81   3HD1  ILE  10          3HD1      ILE  10  25.262  -4.066  11.219
   82    H    THR  11           H        THR  11  21.957  -4.831   5.887
   83    HA   THR  11           HA       THR  11  23.560  -4.835   3.464
   84    HB   THR  11           HB       THR  11  20.555  -4.977   3.469
   85    HG1  THR  11           HG1      THR  11  22.320  -7.072   4.184
   86   1HG2  THR  11          1HG2      THR  11  22.299  -5.179   1.458
   87   2HG2  THR  11          2HG2      THR  11  22.374  -6.847   2.026
   88   3HG2  THR  11          3HG2      THR  11  20.833  -6.159   1.513
   89    H    ASP  12           H        ASP  12  21.029  -2.728   4.792
   90    HA   ASP  12           HA       ASP  12  20.766  -1.063   2.466
   91   1HB   ASP  12          1HB       ASP  12  19.442  -1.269   4.863
   92   2HB   ASP  12          2HB       ASP  12  20.330   0.238   5.081
   93    H    VAL  13           H        VAL  13  22.779  -0.873   5.371
   94    HA   VAL  13           HA       VAL  13  23.967   1.667   4.824
   95    HB   VAL  13           HB       VAL  13  25.205  -0.682   6.266
   96   1HG1  VAL  13          1HG1      VAL  13  25.753   2.288   6.200
   97   2HG1  VAL  13          2HG1      VAL  13  26.278   1.281   7.549
   98   3HG1  VAL  13          3HG1      VAL  13  26.883   0.963   5.923
   99   1HG2  VAL  13          1HG2      VAL  13  22.806   0.499   6.901
  100   2HG2  VAL  13          2HG2      VAL  13  23.883  -0.263   8.070
  101   3HG2  VAL  13          3HG2      VAL  13  23.941   1.482   7.827
  102    H    ILE  14           H        ILE  14  25.079  -1.645   4.083
  103    HA   ILE  14           HA       ILE  14  27.420  -0.791   2.627
  104    HB   ILE  14           HB       ILE  14  25.886  -3.404   2.432
  105   1HG1  ILE  14          1HG1      ILE  14  28.329  -2.789   4.115
  106   2HG1  ILE  14          2HG1      ILE  14  26.686  -2.676   4.750
  107   1HG2  ILE  14          1HG2      ILE  14  28.493  -2.407   1.371
  108   2HG2  ILE  14          2HG2      ILE  14  28.448  -4.063   1.976
  109   3HG2  ILE  14          3HG2      ILE  14  27.368  -3.571   0.672
  110   1HD1  ILE  14          1HD1      ILE  14  26.294  -5.041   4.119
  111   2HD1  ILE  14          2HD1      ILE  14  27.954  -5.150   3.535
  112   3HD1  ILE  14          3HD1      ILE  14  27.639  -4.886   5.250
  113    H    PHE  15           H        PHE  15  24.062  -0.894   1.810
  114    HA   PHE  15           HA       PHE  15  24.295  -1.304  -1.025
  115   1HB   PHE  15          1HB       PHE  15  22.183  -1.390   0.469
  116   2HB   PHE  15          2HB       PHE  15  22.150   0.364   0.290
  117    HD1  PHE  15           HD1      PHE  15  22.079  -2.850  -1.577
  118    HD2  PHE  15           HD2      PHE  15  21.447   1.394  -1.745
  119    HE1  PHE  15           HE1      PHE  15  21.012  -3.098  -3.802
  120    HE2  PHE  15           HE2      PHE  15  20.378   1.149  -3.969
  121    HZ   PHE  15           HZ       PHE  15  20.159  -1.098  -4.998
  122    H    ILE  16           H        ILE  16  23.932   1.698   0.902
  123    HA   ILE  16           HA       ILE  16  24.419   3.377  -1.431
  124    HB   ILE  16           HB       ILE  16  24.522   4.207   1.479
  125   1HG1  ILE  16          1HG1      ILE  16  22.020   4.909   0.528
  126   2HG1  ILE  16          2HG1      ILE  16  22.261   3.321  -0.200
  127   1HG2  ILE  16          1HG2      ILE  16  24.034   5.645  -1.141
  128   2HG2  ILE  16          2HG2      ILE  16  23.687   6.366   0.430
  129   3HG2  ILE  16          3HG2      ILE  16  25.340   5.920   0.011
  130   1HD1  ILE  16          1HD1      ILE  16  23.157   2.883   2.353
  131   2HD1  ILE  16          2HD1      ILE  16  21.865   4.051   2.631
  132   3HD1  ILE  16          3HD1      ILE  16  21.519   2.534   1.800
  133    H    TYR  17           H        TYR  17  26.400   1.888   1.019
  134    HA   TYR  17           HA       TYR  17  28.652   3.665   0.855
  135   1HB   TYR  17          1HB       TYR  17  28.097   1.725   2.549
  136   2HB   TYR  17          2HB       TYR  17  28.983   0.731   1.391
  137    HD1  TYR  17           HD1      TYR  17  29.283   4.061   3.104
  138    HD2  TYR  17           HD2      TYR  17  31.289   0.550   1.654
  139    HE1  TYR  17           HE1      TYR  17  31.428   4.911   4.014
  140    HE2  TYR  17           HE2      TYR  17  33.434   1.399   2.566
  141    HH   TYR  17           HH       TYR  17  34.270   4.048   3.130
  142    H    PHE  18           H        PHE  18  27.765   0.723  -0.936
  143    HA   PHE  18           HA       PHE  18  30.223   0.845  -2.537
  144   1HB   PHE  18          1HB       PHE  18  28.095  -1.089  -2.038
  145   2HB   PHE  18          2HB       PHE  18  28.461  -0.966  -3.757
  146    HD1  PHE  18           HD1      PHE  18  30.930  -1.114  -4.472
  147    HD2  PHE  18           HD2      PHE  18  29.522  -2.286  -0.587
  148    HE1  PHE  18           HE1      PHE  18  32.983  -2.462  -4.135
  149    HE2  PHE  18           HE2      PHE  18  31.576  -3.635  -0.250
  150    HZ   PHE  18           HZ       PHE  18  33.306  -3.723  -2.025
  151    H    ALA  19           H        ALA  19  26.844   1.739  -2.838
  152    HA   ALA  19           HA       ALA  19  26.702   2.112  -5.656
  153   1HB   ALA  19          1HB       ALA  19  24.857   2.269  -3.797
  154   2HB   ALA  19          2HB       ALA  19  25.316   3.972  -3.747
  155   3HB   ALA  19          3HB       ALA  19  24.710   3.265  -5.246
  156    H    ALA  20           H        ALA  20  27.351   4.523  -3.119
  157    HA   ALA  20           HA       ALA  20  27.907   6.732  -4.786
  158   1HB   ALA  20          1HB       ALA  20  27.702   6.496  -2.177
  159   2HB   ALA  20          2HB       ALA  20  29.453   6.299  -2.256
  160   3HB   ALA  20          3HB       ALA  20  28.704   7.775  -2.864
  161    H    LEU  21           H        LEU  21  30.174   4.386  -3.409
  162    HA   LEU  21           HA       LEU  21  32.511   5.569  -4.621
  163   1HB   LEU  21          1HB       LEU  21  31.885   3.239  -2.953
  164   2HB   LEU  21          2HB       LEU  21  33.208   2.942  -4.078
  165    HG   LEU  21           HG       LEU  21  34.051   3.833  -1.942
  166   1HD1  LEU  21          1HD1      LEU  21  34.663   4.777  -4.509
  167   2HD1  LEU  21          2HD1      LEU  21  34.571   6.229  -3.515
  168   3HD1  LEU  21          3HD1      LEU  21  35.667   4.924  -3.068
  169   1HD2  LEU  21          1HD2      LEU  21  31.845   5.729  -2.360
  170   2HD2  LEU  21          2HD2      LEU  21  32.678   5.286  -0.871
  171   3HD2  LEU  21          3HD2      LEU  21  33.360   6.522  -1.926
  172    H    SER  22           H        SER  22  30.113   3.430  -5.915
  173    HA   SER  22           HA       SER  22  31.671   1.950  -7.777
  174   1HB   SER  22          1HB       SER  22  28.817   2.705  -7.516
  175   2HB   SER  22          2HB       SER  22  29.341   2.267  -9.139
  176    HG   SER  22           HG       SER  22  30.146   0.323  -8.277
  177    HA   PRO  23           HA       PRO  23  30.853   5.450 -11.067
  178   1HB   PRO  23          1HB       PRO  23  29.854   7.825 -10.154
  179   2HB   PRO  23          2HB       PRO  23  28.854   6.501 -10.747
  180   1HG   PRO  23          1HG       PRO  23  29.387   7.339  -7.954
  181   2HG   PRO  23          2HG       PRO  23  27.909   6.673  -8.671
  182   1HD   PRO  23          1HD       PRO  23  29.656   5.201  -7.159
  183   2HD   PRO  23          2HD       PRO  23  28.584   4.507  -8.379
  184    H    ALA  24           H        ALA  24  31.358   7.201  -8.022
  185    HA   ALA  24           HA       ALA  24  33.263   9.071  -8.789
  186   1HB   ALA  24          1HB       ALA  24  32.293   8.850  -6.500
  187   2HB   ALA  24          2HB       ALA  24  33.379   7.491  -6.209
  188   3HB   ALA  24          3HB       ALA  24  34.039   9.102  -6.486
  189    H    ILE  25           H        ILE  25  33.786   5.624  -8.372
  190    HA   ILE  25           HA       ILE  25  36.701   5.847  -8.446
  191    HB   ILE  25           HB       ILE  25  34.798   3.482  -8.624
  192   1HG1  ILE  25          1HG1      ILE  25  36.812   4.245  -6.491
  193   2HG1  ILE  25          2HG1      ILE  25  35.125   4.753  -6.445
  194   1HG2  ILE  25          1HG2      ILE  25  37.792   3.640  -8.923
  195   2HG2  ILE  25          2HG2      ILE  25  37.081   2.245  -8.110
  196   3HG2  ILE  25          3HG2      ILE  25  36.642   2.612  -9.779
  197   1HD1  ILE  25          1HD1      ILE  25  34.650   2.184  -6.812
  198   2HD1  ILE  25          2HD1      ILE  25  36.281   1.997  -6.168
  199   3HD1  ILE  25          3HD1      ILE  25  35.035   2.784  -5.199
  200    H    THR  26           H        THR  26  34.127   4.917 -10.730
  201    HA   THR  26           HA       THR  26  35.787   4.227 -12.931
  202    HB   THR  26           HB       THR  26  33.091   5.590 -13.124
  203    HG1  THR  26           HG1      THR  26  32.244   3.844 -12.347
  204   1HG2  THR  26          1HG2      THR  26  34.577   5.106 -15.180
  205   2HG2  THR  26          2HG2      THR  26  34.225   3.407 -14.866
  206   3HG2  THR  26          3HG2      THR  26  32.911   4.528 -15.224
  207    H    PHE  27           H        PHE  27  34.781   7.366 -11.700
  208    HA   PHE  27           HA       PHE  27  35.520   8.892 -14.033
  209   1HB   PHE  27          1HB       PHE  27  34.791   9.466 -11.212
  210   2HB   PHE  27          2HB       PHE  27  35.785  10.685 -12.009
  211    HD1  PHE  27           HD1      PHE  27  32.936   8.446 -13.021
  212    HD2  PHE  27           HD2      PHE  27  34.562  12.421 -12.944
  213    HE1  PHE  27           HE1      PHE  27  30.939   9.286 -14.228
  214    HE2  PHE  27           HE2      PHE  27  32.566  13.260 -14.152
  215    HZ   PHE  27           HZ       PHE  27  30.753  11.694 -14.793
  216    H    GLY  28           H        GLY  28  37.313  10.710 -13.594
  217   1HA   GLY  28          1HA       GLY  28  39.840   9.381 -13.639
  218   2HA   GLY  28          2HA       GLY  28  39.619  11.126 -13.510
  219    H    GLY  29           H        GLY  29  38.362  11.445 -11.111
  220   1HA   GLY  29          1HA       GLY  29  38.862  10.121  -8.826
  221   2HA   GLY  29          2HA       GLY  29  40.487  10.681  -9.220
  222    H    LEU  30           H        LEU  30  37.231  11.737  -8.416
  223    HA   LEU  30           HA       LEU  30  38.093  14.548  -8.214
  224   1HB   LEU  30          1HB       LEU  30  35.688  14.828  -7.250
  225   2HB   LEU  30          2HB       LEU  30  35.875  14.479  -8.963
  226    HG   LEU  30           HG       LEU  30  35.375  12.107  -8.563
  227   1HD1  LEU  30          1HD1      LEU  30  35.495  12.996  -5.698
  228   2HD1  LEU  30          2HD1      LEU  30  34.426  11.666  -6.141
  229   3HD1  LEU  30          3HD1      LEU  30  36.159  11.542  -6.440
  230   1HD2  LEU  30          1HD2      LEU  30  33.584  14.087  -8.627
  231   2HD2  LEU  30          2HD2      LEU  30  33.099  12.408  -8.393
  232   3HD2  LEU  30          3HD2      LEU  30  33.238  13.487  -7.005
  233    H    LEU  31           H        LEU  31  37.873  15.754  -6.169
  234    HA   LEU  31           HA       LEU  31  38.921  14.170  -3.928
  235   1HB   LEU  31          1HB       LEU  31  38.675  17.069  -4.598
  236   2HB   LEU  31          2HB       LEU  31  38.725  16.645  -2.890
  237    HG   LEU  31           HG       LEU  31  40.983  17.134  -3.851
  238   1HD1  LEU  31          1HD1      LEU  31  40.719  15.637  -1.897
  239   2HD1  LEU  31          2HD1      LEU  31  40.601  14.253  -2.982
  240   3HD1  LEU  31          3HD1      LEU  31  42.098  15.177  -2.894
  241   1HD2  LEU  31          1HD2      LEU  31  40.381  16.090  -6.117
  242   2HD2  LEU  31          2HD2      LEU  31  41.985  15.717  -5.486
  243   3HD2  LEU  31          3HD2      LEU  31  40.689  14.527  -5.360
  244    H    GLY  32           H        GLY  32  36.193  16.451  -4.360
  245   1HA   GLY  32          1HA       GLY  32  34.954  15.813  -1.850
  246   2HA   GLY  32          2HA       GLY  32  34.154  16.608  -3.205
  247    H    GLU  33           H        GLU  33  34.048  13.892  -1.327
  248    HA   GLU  33           HA       GLU  33  33.530  11.804  -3.220
  249   1HB   GLU  33          1HB       GLU  33  33.948  11.495  -0.746
  250   2HB   GLU  33          2HB       GLU  33  32.310  12.083  -0.460
  251   1HG   GLU  33          1HG       GLU  33  31.373  10.262  -1.778
  252   2HG   GLU  33          2HG       GLU  33  32.989   9.710  -2.223
  253    H    LYS  34           H        LYS  34  31.425  14.209  -1.670
  254    HA   LYS  34           HA       LYS  34  29.028  13.156  -2.981
  255   1HB   LYS  34          1HB       LYS  34  29.662  15.182  -0.951
  256   2HB   LYS  34          2HB       LYS  34  28.399  15.704  -2.065
  257   1HG   LYS  34          1HG       LYS  34  27.212  13.536  -1.650
  258   2HG   LYS  34          2HG       LYS  34  28.423  13.154  -0.425
  259   1HD   LYS  34          1HD       LYS  34  27.682  14.816   1.022
  260   2HD   LYS  34          2HD       LYS  34  26.990  15.784  -0.280
  261   1HE   LYS  34          1HE       LYS  34  25.439  13.625  -0.552
  262   2HE   LYS  34          2HE       LYS  34  25.836  13.434   1.155
  263   1HZ   LYS  34          1HZ       LYS  34  25.164  15.812   1.429
  264   2HZ   LYS  34          2HZ       LYS  34  24.556  15.764  -0.154
  265   3HZ   LYS  34          3HZ       LYS  34  23.896  14.750   1.037
  Start of MODEL    8
    1   1H    ACE   1          HA1       ACE   1  12.981  -0.090 -19.891
    2   2H    ACE   1          HA2       ACE   1  11.486   0.481 -20.633
    3   3H    ACE   1          HA3       ACE   1  11.713  -1.239 -20.318
    4    H    ARG   2           H        ARG   2  12.398   1.535 -18.187
    5    HA   ARG   2           HA       ARG   2  11.503   2.140 -16.124
    6   1HB   ARG   2          1HB       ARG   2   9.309   0.110 -16.459
    7   2HB   ARG   2          2HB       ARG   2   9.290   1.615 -15.543
    8   1HG   ARG   2          1HG       ARG   2   9.743   2.667 -17.954
    9   2HG   ARG   2          2HG       ARG   2   8.950   1.183 -18.485
   10   1HD   ARG   2          1HD       ARG   2   7.625   2.590 -16.239
   11   2HD   ARG   2          2HD       ARG   2   7.602   3.443 -17.783
   12    HE   ARG   2           HE       ARG   2   6.835   0.664 -18.088
   13   1HH1  ARG   2          1HH1      ARG   2   5.283   2.321 -15.851
   14   2HH1  ARG   2          2HH1      ARG   2   3.844   2.681 -16.745
   15   1HH2  ARG   2          1HH2      ARG   2   5.194   1.770 -19.805
   16   2HH2  ARG   2          2HH2      ARG   2   3.794   2.371 -18.981
   17    H    TYR   3           H        TYR   3  12.660   1.474 -14.516
   18    HA   TYR   3           HA       TYR   3  12.283  -1.114 -13.258
   19   1HB   TYR   3          1HB       TYR   3  14.488  -0.734 -15.170
   20   2HB   TYR   3          2HB       TYR   3  15.031  -1.287 -13.587
   21    HD1  TYR   3           HD1      TYR   3  13.104  -3.055 -12.558
   22    HD2  TYR   3           HD2      TYR   3  14.215  -2.496 -16.670
   23    HE1  TYR   3           HE1      TYR   3  12.318  -5.348 -13.082
   24    HE2  TYR   3           HE2      TYR   3  13.429  -4.789 -17.193
   25    HH   TYR   3           HH       TYR   3  13.002  -7.115 -15.068
   26    HA   PRO   4           HA       PRO   4  13.873   2.263 -10.482
   27   1HB   PRO   4          1HB       PRO   4  11.548   2.705  -9.128
   28   2HB   PRO   4          2HB       PRO   4  11.983   3.550 -10.613
   29   1HG   PRO   4          1HG       PRO   4   9.902   1.563 -10.183
   30   2HG   PRO   4          2HG       PRO   4  10.142   2.654 -11.555
   31   1HD   PRO   4          1HD       PRO   4  10.832  -0.157 -11.344
   32   2HD   PRO   4          2HD       PRO   4  10.915   0.902 -12.764
   33    H    TYR   5           H        TYR   5  11.245   0.188  -9.308
   34    HA   TYR   5           HA       TYR   5  12.165  -0.286  -6.709
   35   1HB   TYR   5          1HB       TYR   5   9.966  -1.009  -7.872
   36   2HB   TYR   5          2HB       TYR   5  10.855  -2.459  -8.335
   37    HD1  TYR   5           HD1      TYR   5  12.026  -3.797  -6.467
   38    HD2  TYR   5           HD2      TYR   5   9.025  -0.814  -5.722
   39    HE1  TYR   5           HE1      TYR   5  11.623  -4.763  -4.218
   40    HE2  TYR   5           HE2      TYR   5   8.624  -1.780  -3.473
   41    HH   TYR   5           HH       TYR   5   9.434  -4.721  -2.569
   42    H    TYR   6           H        TYR   6  13.387  -1.646  -9.696
   43    HA   TYR   6           HA       TYR   6  14.834  -3.819  -8.362
   44   1HB   TYR   6          1HB       TYR   6  13.925  -3.711 -10.825
   45   2HB   TYR   6          2HB       TYR   6  15.444  -2.875 -11.146
   46    HD1  TYR   6           HD1      TYR   6  14.120  -5.943  -9.436
   47    HD2  TYR   6           HD2      TYR   6  17.369  -4.129 -11.583
   48    HE1  TYR   6           HE1      TYR   6  15.314  -8.117  -9.470
   49    HE2  TYR   6           HE2      TYR   6  18.562  -6.303 -11.616
   50    HH   TYR   6           HH       TYR   6  17.930  -8.745 -11.472
   51    H    LEU   7           H        LEU   7  15.586  -0.631  -9.702
   52    HA   LEU   7           HA       LEU   7  18.445  -0.863  -9.241
   53   1HB   LEU   7          1HB       LEU   7  16.559   1.277 -10.101
   54   2HB   LEU   7          2HB       LEU   7  18.098   1.793  -9.411
   55    HG   LEU   7           HG       LEU   7  17.967  -0.314 -11.568
   56   1HD1  LEU   7          1HD1      LEU   7  18.114   2.699 -11.867
   57   2HD1  LEU   7          2HD1      LEU   7  18.509   1.561 -13.156
   58   3HD1  LEU   7          3HD1      LEU   7  16.869   1.629 -12.511
   59   1HD2  LEU   7          1HD2      LEU   7  20.054   1.396 -10.258
   60   2HD2  LEU   7          2HD2      LEU   7  20.116  -0.316 -10.674
   61   3HD2  LEU   7          3HD2      LEU   7  20.294   0.904 -11.935
   62    H    SER   8           H        SER   8  15.742  -0.163  -7.208
   63    HA   SER   8           HA       SER   8  16.952   1.589  -5.312
   64   1HB   SER   8          1HB       SER   8  14.528   1.127  -5.371
   65   2HB   SER   8          2HB       SER   8  14.831  -0.535  -4.875
   66    HG   SER   8           HG       SER   8  15.605   0.211  -2.929
   67    H    ASP   9           H        ASP   9  17.303  -1.842  -5.863
   68    HA   ASP   9           HA       ASP   9  18.253  -2.648  -3.301
   69   1HB   ASP   9          1HB       ASP   9  18.353  -3.690  -6.067
   70   2HB   ASP   9          2HB       ASP   9  19.663  -4.242  -5.023
   71    H    ILE  10           H        ILE  10  20.029  -1.417  -6.150
   72    HA   ILE  10           HA       ILE  10  22.630  -1.547  -4.917
   73    HB   ILE  10           HB       ILE  10  21.690   0.328  -7.111
   74   1HG1  ILE  10          1HG1      ILE  10  21.171  -2.020  -7.669
   75   2HG1  ILE  10          2HG1      ILE  10  22.487  -1.418  -8.672
   76   1HG2  ILE  10          1HG2      ILE  10  24.418  -0.687  -6.271
   77   2HG2  ILE  10          2HG2      ILE  10  24.113   0.160  -7.788
   78   3HG2  ILE  10          3HG2      ILE  10  23.847   0.982  -6.250
   79   1HD1  ILE  10          1HD1      ILE  10  24.091  -2.447  -6.984
   80   2HD1  ILE  10          2HD1      ILE  10  22.691  -3.239  -6.260
   81   3HD1  ILE  10          3HD1      ILE  10  23.146  -3.602  -7.925
   82    H    THR  11           H        THR  11  20.080   0.897  -4.972
   83    HA   THR  11           HA       THR  11  21.601   3.060  -3.860
   84    HB   THR  11           HB       THR  11  18.728   2.772  -3.100
   85    HG1  THR  11           HG1      THR  11  19.693   3.001  -5.753
   86   1HG2  THR  11          1HG2      THR  11  20.401   4.820  -2.935
   87   2HG2  THR  11          2HG2      THR  11  19.949   5.042  -4.625
   88   3HG2  THR  11          3HG2      THR  11  18.711   5.076  -3.369
   89    H    ASP  12           H        ASP  12  19.986   0.277  -2.420
   90    HA   ASP  12           HA       ASP  12  20.144   1.167   0.315
   91   1HB   ASP  12          1HB       ASP  12  19.552  -1.351  -1.112
   92   2HB   ASP  12          2HB       ASP  12  20.301  -1.580   0.469
   93    H    VAL  13           H        VAL  13  22.312  -0.594  -1.839
   94    HA   VAL  13           HA       VAL  13  24.318  -1.244   0.098
   95    HB   VAL  13           HB       VAL  13  24.593  -0.746  -2.873
   96   1HG1  VAL  13          1HG1      VAL  13  26.458  -1.694  -0.758
   97   2HG1  VAL  13          2HG1      VAL  13  26.488  -2.575  -2.286
   98   3HG1  VAL  13          3HG1      VAL  13  26.808  -0.841  -2.261
   99   1HG2  VAL  13          1HG2      VAL  13  23.805  -3.126  -1.212
  100   2HG2  VAL  13          2HG2      VAL  13  23.058  -2.508  -2.685
  101   3HG2  VAL  13          3HG2      VAL  13  24.600  -3.360  -2.769
  102    H    ILE  14           H        ILE  14  23.514   1.701  -1.599
  103    HA   ILE  14           HA       ILE  14  26.043   3.042  -1.185
  104    HB   ILE  14           HB       ILE  14  23.263   4.159  -1.686
  105   1HG1  ILE  14          1HG1      ILE  14  24.048   2.649  -3.471
  106   2HG1  ILE  14          2HG1      ILE  14  24.015   4.319  -4.031
  107   1HG2  ILE  14          1HG2      ILE  14  24.941   5.783  -0.716
  108   2HG2  ILE  14          2HG2      ILE  14  25.951   5.492  -2.133
  109   3HG2  ILE  14          3HG2      ILE  14  24.356   6.219  -2.322
  110   1HD1  ILE  14          1HD1      ILE  14  26.572   4.060  -2.976
  111   2HD1  ILE  14          2HD1      ILE  14  26.292   2.499  -3.747
  112   3HD1  ILE  14          3HD1      ILE  14  26.154   3.984  -4.687
  113    H    PHE  15           H        PHE  15  22.930   3.021   0.533
  114    HA   PHE  15           HA       PHE  15  23.624   4.922   2.545
  115   1HB   PHE  15          1HB       PHE  15  21.346   3.637   1.903
  116   2HB   PHE  15          2HB       PHE  15  21.849   2.646   3.270
  117    HD1  PHE  15           HD1      PHE  15  21.652   6.269   2.315
  118    HD2  PHE  15           HD2      PHE  15  21.156   3.320   5.398
  119    HE1  PHE  15           HE1      PHE  15  20.855   8.029   3.869
  120    HE2  PHE  15           HE2      PHE  15  20.357   5.080   6.953
  121    HZ   PHE  15           HZ       PHE  15  20.207   7.435   6.187
  122    H    ILE  16           H        ILE  16  24.004   1.389   2.397
  123    HA   ILE  16           HA       ILE  16  25.102   1.184   5.081
  124    HB   ILE  16           HB       ILE  16  25.379  -0.778   2.787
  125   1HG1  ILE  16          1HG1      ILE  16  23.007  -0.191   3.147
  126   2HG1  ILE  16          2HG1      ILE  16  23.333  -1.839   3.676
  127   1HG2  ILE  16          1HG2      ILE  16  26.588  -0.821   5.244
  128   2HG2  ILE  16          2HG2      ILE  16  25.105  -1.714   5.577
  129   3HG2  ILE  16          3HG2      ILE  16  26.196  -2.261   4.306
  130   1HD1  ILE  16          1HD1      ILE  16  23.706  -0.793   6.023
  131   2HD1  ILE  16          2HD1      ILE  16  22.886   0.622   5.366
  132   3HD1  ILE  16          3HD1      ILE  16  22.048  -0.928   5.438
  133    H    TYR  17           H        TYR  17  26.406   1.914   1.924
  134    HA   TYR  17           HA       TYR  17  29.136   1.178   2.388
  135   1HB   TYR  17          1HB       TYR  17  27.792   2.120   0.236
  136   2HB   TYR  17          2HB       TYR  17  28.582   3.606   0.760
  137    HD1  TYR  17           HD1      TYR  17  29.101   0.187  -0.508
  138    HD2  TYR  17           HD2      TYR  17  31.017   3.817   0.758
  139    HE1  TYR  17           HE1      TYR  17  31.235  -0.591  -1.505
  140    HE2  TYR  17           HE2      TYR  17  33.151   3.040  -0.239
  141    HH   TYR  17           HH       TYR  17  33.874   1.455  -2.025
  142    H    PHE  18           H        PHE  18  27.283   4.100   3.128
  143    HA   PHE  18           HA       PHE  18  29.635   5.522   4.162
  144   1HB   PHE  18          1HB       PHE  18  27.389   6.433   3.059
  145   2HB   PHE  18          2HB       PHE  18  26.837   6.404   4.730
  146    HD1  PHE  18           HD1      PHE  18  28.509   7.436   6.495
  147    HD2  PHE  18           HD2      PHE  18  28.551   8.319   2.292
  148    HE1  PHE  18           HE1      PHE  18  29.724   9.548   6.952
  149    HE2  PHE  18           HE2      PHE  18  29.763  10.434   2.748
  150    HZ   PHE  18           HZ       PHE  18  30.350  11.049   5.079
  151    H    ALA  19           H        ALA  19  26.854   3.788   5.425
  152    HA   ALA  19           HA       ALA  19  27.037   4.541   8.154
  153   1HB   ALA  19          1HB       ALA  19  25.129   3.313   7.144
  154   2HB   ALA  19          2HB       ALA  19  26.145   1.877   7.017
  155   3HB   ALA  19          3HB       ALA  19  25.727   2.525   8.604
  156    H    ALA  20           H        ALA  20  28.229   1.511   6.694
  157    HA   ALA  20           HA       ALA  20  29.650   0.647   9.014
  158   1HB   ALA  20          1HB       ALA  20  29.658  -0.097   6.116
  159   2HB   ALA  20          2HB       ALA  20  30.912  -0.746   7.173
  160   3HB   ALA  20          3HB       ALA  20  29.214  -1.071   7.518
  161    H    LEU  21           H        LEU  21  30.934   2.019   5.994
  162    HA   LEU  21           HA       LEU  21  33.638   2.157   6.967
  163   1HB   LEU  21          1HB       LEU  21  32.165   2.947   4.548
  164   2HB   LEU  21          2HB       LEU  21  33.553   3.970   4.905
  165    HG   LEU  21           HG       LEU  21  34.959   1.913   5.117
  166   1HD1  LEU  21          1HD1      LEU  21  32.297   0.670   4.613
  167   2HD1  LEU  21          2HD1      LEU  21  33.691  -0.083   3.839
  168   3HD1  LEU  21          3HD1      LEU  21  33.644   0.088   5.593
  169   1HD2  LEU  21          1HD2      LEU  21  33.538   2.703   2.606
  170   2HD2  LEU  21          2HD2      LEU  21  35.250   2.822   3.009
  171   3HD2  LEU  21          3HD2      LEU  21  34.557   1.265   2.555
  172    H    SER  22           H        SER  22  30.967   4.226   7.620
  173    HA   SER  22           HA       SER  22  32.281   6.751   7.724
  174   1HB   SER  22          1HB       SER  22  30.017   7.040   8.001
  175   2HB   SER  22          2HB       SER  22  29.835   5.589   8.973
  176    HG   SER  22           HG       SER  22  29.808   6.943  10.585
  177    HA   PRO  23           HA       PRO  23  33.384   5.908  12.380
  178   1HB   PRO  23          1HB       PRO  23  32.890   3.416  13.382
  179   2HB   PRO  23          2HB       PRO  23  31.742   4.749  13.464
  180   1HG   PRO  23          1HG       PRO  23  31.756   2.401  11.655
  181   2HG   PRO  23          2HG       PRO  23  30.388   3.276  12.362
  182   1HD   PRO  23          1HD       PRO  23  31.227   3.601   9.761
  183   2HD   PRO  23          2HD       PRO  23  30.330   4.815  10.684
  184    H    ALA  24           H        ALA  24  33.543   2.689  10.910
  185    HA   ALA  24           HA       ALA  24  36.002   1.791  11.798
  186   1HB   ALA  24          1HB       ALA  24  34.393   0.558  10.302
  187   2HB   ALA  24          2HB       ALA  24  35.068   1.454   8.941
  188   3HB   ALA  24          3HB       ALA  24  36.090   0.357   9.869
  189    H    ILE  25           H        ILE  25  35.479   4.275   9.367
  190    HA   ILE  25           HA       ILE  25  38.150   4.259   8.292
  191    HB   ILE  25           HB       ILE  25  35.732   5.932   8.066
  192   1HG1  ILE  25          1HG1      ILE  25  36.530   6.072   5.720
  193   2HG1  ILE  25          2HG1      ILE  25  38.044   5.310   6.201
  194   1HG2  ILE  25          1HG2      ILE  25  38.432   7.289   7.740
  195   2HG2  ILE  25          2HG2      ILE  25  36.889   7.948   7.195
  196   3HG2  ILE  25          3HG2      ILE  25  37.193   7.723   8.918
  197   1HD1  ILE  25          1HD1      ILE  25  36.082   3.599   7.212
  198   2HD1  ILE  25          2HD1      ILE  25  35.458   4.085   5.637
  199   3HD1  ILE  25          3HD1      ILE  25  37.048   3.334   5.761
  200    H    THR  26           H        THR  26  36.632   6.303  10.818
  201    HA   THR  26           HA       THR  26  39.105   7.627  11.508
  202    HB   THR  26           HB       THR  26  36.731   7.276  13.345
  203    HG1  THR  26           HG1      THR  26  35.937   9.164  12.290
  204   1HG2  THR  26          1HG2      THR  26  39.088   8.481  13.822
  205   2HG2  THR  26          2HG2      THR  26  38.251   9.815  13.028
  206   3HG2  THR  26          3HG2      THR  26  37.567   9.086  14.480
  207    H    PHE  27           H        PHE  27  37.193   5.344  13.501
  208    HA   PHE  27           HA       PHE  27  39.570   4.672  15.065
  209   1HB   PHE  27          1HB       PHE  27  36.848   4.655  15.573
  210   2HB   PHE  27          2HB       PHE  27  37.214   2.939  15.400
  211    HD1  PHE  27           HD1      PHE  27  39.014   1.902  16.816
  212    HD2  PHE  27           HD2      PHE  27  37.600   5.905  17.467
  213    HE1  PHE  27           HE1      PHE  27  40.015   1.886  19.085
  214    HE2  PHE  27           HE2      PHE  27  38.600   5.890  19.736
  215    HZ   PHE  27           HZ       PHE  27  39.808   3.881  20.545
  216    H    GLY  28           H        GLY  28  41.052   3.403  14.031
  217   1HA   GLY  28          1HA       GLY  28  41.968   1.531  12.955
  218   2HA   GLY  28          2HA       GLY  28  40.517   0.662  13.452
  219    H    GLY  29           H        GLY  29  39.894  -0.366  11.579
  220   1HA   GLY  29          1HA       GLY  29  38.337   0.182   9.641
  221   2HA   GLY  29          2HA       GLY  29  39.580   1.324   9.145
  222    H    LEU  30           H        LEU  30  41.577  -0.889  10.183
  223    HA   LEU  30           HA       LEU  30  41.788  -2.198   7.547
  224   1HB   LEU  30          1HB       LEU  30  43.691  -1.170   9.163
  225   2HB   LEU  30          2HB       LEU  30  43.710  -2.843   9.725
  226    HG   LEU  30           HG       LEU  30  43.776  -2.196   6.780
  227   1HD1  LEU  30          1HD1      LEU  30  45.948  -1.973   8.811
  228   2HD1  LEU  30          2HD1      LEU  30  46.355  -2.747   7.279
  229   3HD1  LEU  30          3HD1      LEU  30  45.732  -1.097   7.296
  230   1HD2  LEU  30          1HD2      LEU  30  44.502  -4.547   8.538
  231   2HD2  LEU  30          2HD2      LEU  30  43.328  -4.493   7.223
  232   3HD2  LEU  30          3HD2      LEU  30  45.055  -4.428   6.868
  233    H    LEU  31           H        LEU  31  39.548  -3.140   8.788
  234    HA   LEU  31           HA       LEU  31  40.220  -5.638  10.217
  235   1HB   LEU  31          1HB       LEU  31  37.664  -4.182   9.557
  236   2HB   LEU  31          2HB       LEU  31  37.626  -5.859  10.103
  237    HG   LEU  31           HG       LEU  31  39.340  -4.034  11.697
  238   1HD1  LEU  31          1HD1      LEU  31  36.394  -3.640  11.341
  239   2HD1  LEU  31          2HD1      LEU  31  37.070  -3.463  12.960
  240   3HD1  LEU  31          3HD1      LEU  31  37.655  -2.445  11.644
  241   1HD2  LEU  31          1HD2      LEU  31  37.560  -6.404  12.061
  242   2HD2  LEU  31          2HD2      LEU  31  39.180  -6.108  12.695
  243   3HD2  LEU  31          3HD2      LEU  31  37.783  -5.338  13.449
  244    H    GLY  32           H        GLY  32  37.907  -5.008   7.570
  245   1HA   GLY  32          1HA       GLY  32  39.069  -7.360   6.130
  246   2HA   GLY  32          2HA       GLY  32  37.327  -7.106   6.236
  247    H    GLU  33           H        GLU  33  40.320  -5.765   4.927
  248    HA   GLU  33           HA       GLU  33  39.174  -3.596   3.465
  249   1HB   GLU  33          1HB       GLU  33  41.696  -4.315   3.917
  250   2HB   GLU  33          2HB       GLU  33  41.510  -5.096   2.346
  251   1HG   GLU  33          1HG       GLU  33  41.006  -3.041   1.262
  252   2HG   GLU  33          2HG       GLU  33  40.727  -2.212   2.794
  253    H    LYS  34           H        LYS  34  39.372  -7.035   2.799
  254    HA   LYS  34           HA       LYS  34  37.827  -6.563   0.299
  255   1HB   LYS  34          1HB       LYS  34  39.007  -8.546  -0.678
  256   2HB   LYS  34          2HB       LYS  34  40.084  -7.184  -0.364
  257   1HG   LYS  34          1HG       LYS  34  40.829  -8.201   1.726
  258   2HG   LYS  34          2HG       LYS  34  39.681  -9.525   1.521
  259   1HD   LYS  34          1HD       LYS  34  41.697  -8.948  -0.635
  260   2HD   LYS  34          2HD       LYS  34  42.172  -9.875   0.788
  261   1HE   LYS  34          1HE       LYS  34  41.080 -11.715   0.066
  262   2HE   LYS  34          2HE       LYS  34  39.623 -10.794  -0.308
  263   1HZ   LYS  34          1HZ       LYS  34  41.978 -10.553  -2.050
  264   2HZ   LYS  34          2HZ       LYS  34  40.969 -11.908  -2.200
  265   3HZ   LYS  34          3HZ       LYS  34  40.334 -10.347  -2.425
  Start of MODEL    9
    1   1H    ACE   1          HA1       ACE   1   0.040   0.770  -3.325
    2   2H    ACE   1          HA2       ACE   1   0.069  -0.984  -3.140
    3   3H    ACE   1          HA3       ACE   1   1.534  -0.123  -3.615
    4    H    ARG   2           H        ARG   2   1.922  -1.682  -1.512
    5    HA   ARG   2           HA       ARG   2   1.322  -0.302   1.003
    6   1HB   ARG   2          1HB       ARG   2   2.484  -2.908   0.187
    7   2HB   ARG   2          2HB       ARG   2   3.081  -2.247   1.706
    8   1HG   ARG   2          1HG       ARG   2   1.175  -3.555   2.289
    9   2HG   ARG   2          2HG       ARG   2   0.633  -1.878   2.348
   10   1HD   ARG   2          1HD       ARG   2   0.335  -3.004  -0.328
   11   2HD   ARG   2          2HD       ARG   2  -0.545  -3.942   0.878
   12    HE   ARG   2           HE       ARG   2  -1.254  -1.297  -0.033
   13   1HH1  ARG   2          1HH2      ARG   2  -3.211  -3.253   1.082
   14   2HH1  ARG   2          2HH2      ARG   2  -3.612  -2.547   2.612
   15   1HH2  ARG   2          1HH1      ARG   2  -0.877  -0.419   2.648
   16   2HH2  ARG   2          2HH1      ARG   2  -2.292  -0.944   3.497
   17    H    TYR   3           H        TYR   3   4.540  -1.617   0.300
   18    HA   TYR   3           HA       TYR   3   5.791   0.978  -0.027
   19   1HB   TYR   3          1HB       TYR   3   7.150   0.735   2.109
   20   2HB   TYR   3          2HB       TYR   3   5.463   1.193   2.330
   21    HD1  TYR   3           HD1      TYR   3   3.782  -0.529   2.990
   22    HD2  TYR   3           HD2      TYR   3   7.995  -1.348   2.932
   23    HE1  TYR   3           HE1      TYR   3   3.410  -2.528   4.411
   24    HE2  TYR   3           HE2      TYR   3   7.627  -3.349   4.356
   25    HH   TYR   3           HH       TYR   3   5.293  -4.954   4.692
   26    HA   PRO   4           HA       PRO   4   8.175  -2.835  -1.414
   27   1HB   PRO   4          1HB       PRO   4   7.772  -2.583  -4.097
   28   2HB   PRO   4          2HB       PRO   4   6.714  -3.518  -3.035
   29   1HG   PRO   4          1HG       PRO   4   6.230  -0.927  -4.338
   30   2HG   PRO   4          2HG       PRO   4   5.072  -2.119  -3.729
   31   1HD   PRO   4          1HD       PRO   4   5.858   0.304  -2.459
   32   2HD   PRO   4          2HD       PRO   4   4.822  -0.971  -1.801
   33    H    TYR   5           H        TYR   5   8.094  -0.366  -3.966
   34    HA   TYR   5           HA       TYR   5  10.964  -0.239  -4.128
   35   1HB   TYR   5          1HB       TYR   5   9.046   0.383  -5.867
   36   2HB   TYR   5          2HB       TYR   5   9.276   1.991  -5.181
   37    HD1  TYR   5           HD1      TYR   5  11.447  -0.894  -6.235
   38    HD2  TYR   5           HD2      TYR   5  10.784   3.349  -6.308
   39    HE1  TYR   5           HE1      TYR   5  13.490  -0.598  -7.610
   40    HE2  TYR   5           HE2      TYR   5  12.825   3.645  -7.683
   41    HH   TYR   5           HH       TYR   5  14.235   1.390  -9.388
   42    H    TYR   6           H        TYR   6   8.543   1.781  -2.525
   43    HA   TYR   6           HA       TYR   6  10.232   3.986  -1.883
   44   1HB   TYR   6          1HB       TYR   6   7.649   3.672  -1.588
   45   2HB   TYR   6          2HB       TYR   6   8.087   3.042   0.000
   46    HD1  TYR   6           HD1      TYR   6   9.551   4.481   1.521
   47    HD2  TYR   6           HD2      TYR   6   7.638   6.000  -2.012
   48    HE1  TYR   6           HE1      TYR   6   9.843   6.798   2.359
   49    HE2  TYR   6           HE2      TYR   6   7.929   8.316  -1.174
   50    HH   TYR   6           HH       TYR   6   8.203   9.349   1.319
   51    H    LEU   7           H        LEU   7   9.896   0.816  -0.417
   52    HA   LEU   7           HA       LEU   7  11.526   1.595   1.912
   53   1HB   LEU   7          1HB       LEU   7   9.550  -0.029   2.002
   54   2HB   LEU   7          2HB       LEU   7  10.604  -1.190   1.194
   55    HG   LEU   7           HG       LEU   7  12.293  -0.493   3.115
   56   1HD1  LEU   7          1HD1      LEU   7   9.562   0.278   4.146
   57   2HD1  LEU   7          2HD1      LEU   7  10.849  -0.223   5.242
   58   3HD1  LEU   7          3HD1      LEU   7  11.063   1.200   4.223
   59   1HD2  LEU   7          1HD2      LEU   7   9.996  -2.426   3.136
   60   2HD2  LEU   7          2HD2      LEU   7  11.727  -2.752   3.040
   61   3HD2  LEU   7          3HD2      LEU   7  11.002  -2.280   4.577
   62    H    SER   8           H        SER   8  11.866  -0.067  -1.150
   63    HA   SER   8           HA       SER   8  14.309  -1.451  -0.628
   64   1HB   SER   8          1HB       SER   8  12.878  -0.514  -3.082
   65   2HB   SER   8          2HB       SER   8  14.551  -1.041  -3.239
   66    HG   SER   8           HG       SER   8  12.346  -2.487  -2.186
   67    H    ASP   9           H        ASP   9  13.673   1.928  -1.024
   68    HA   ASP   9           HA       ASP   9  16.251   2.705  -2.061
   69   1HB   ASP   9          1HB       ASP   9  13.894   4.015  -1.660
   70   2HB   ASP   9          2HB       ASP   9  14.828   4.607  -0.286
   71    H    ILE  10           H        ILE  10  14.937   2.260   1.205
   72    HA   ILE  10           HA       ILE  10  17.282   3.298   2.562
   73    HB   ILE  10           HB       ILE  10  15.203   1.367   3.631
   74   1HG1  ILE  10          1HG1      ILE  10  14.706   4.035   4.499
   75   2HG1  ILE  10          2HG1      ILE  10  14.920   4.113   2.751
   76   1HG2  ILE  10          1HG2      ILE  10  17.516   2.074   4.801
   77   2HG2  ILE  10          2HG2      ILE  10  16.534   3.456   5.287
   78   3HG2  ILE  10          3HG2      ILE  10  16.034   1.822   5.723
   79   1HD1  ILE  10          1HD1      ILE  10  13.261   1.860   3.729
   80   2HD1  ILE  10          2HD1      ILE  10  12.566   3.466   3.947
   81   3HD1  ILE  10          3HD1      ILE  10  13.021   2.914   2.335
   82    H    THR  11           H        THR  11  16.053  -0.045   2.112
   83    HA   THR  11           HA       THR  11  18.309  -1.370   3.216
   84    HB   THR  11           HB       THR  11  17.523  -3.179   1.399
   85    HG1  THR  11           HG1      THR  11  16.177  -1.538   0.411
   86   1HG2  THR  11          1HG2      THR  11  17.311  -3.343   3.862
   87   2HG2  THR  11          2HG2      THR  11  15.858  -2.346   3.789
   88   3HG2  THR  11          3HG2      THR  11  15.871  -3.942   3.039
   89    H    ASP  12           H        ASP  12  17.833   0.081   0.063
   90    HA   ASP  12           HA       ASP  12  20.116  -1.204  -1.192
   91   1HB   ASP  12          1HB       ASP  12  18.268   1.054  -1.880
   92   2HB   ASP  12          2HB       ASP  12  19.787   0.905  -2.761
   93    H    VAL  13           H        VAL  13  19.551   1.768   0.609
   94    HA   VAL  13           HA       VAL  13  22.130   2.951   0.065
   95    HB   VAL  13           HB       VAL  13  20.201   3.431   2.343
   96   1HG1  VAL  13          1HG1      VAL  13  22.761   4.715   1.501
   97   2HG1  VAL  13          2HG1      VAL  13  21.462   5.776   2.047
   98   3HG1  VAL  13          3HG1      VAL  13  22.083   4.520   3.118
   99   1HG2  VAL  13          1HG2      VAL  13  19.725   3.835  -0.312
  100   2HG2  VAL  13          2HG2      VAL  13  19.026   4.825   0.969
  101   3HG2  VAL  13          3HG2      VAL  13  20.474   5.370   0.123
  102    H    ILE  14           H        ILE  14  20.953   0.592   2.368
  103    HA   ILE  14           HA       ILE  14  23.309   0.792   4.096
  104    HB   ILE  14           HB       ILE  14  21.132  -1.321   3.979
  105   1HG1  ILE  14          1HG1      ILE  14  20.221   0.924   4.447
  106   2HG1  ILE  14          2HG1      ILE  14  20.145  -0.091   5.885
  107   1HG2  ILE  14          1HG2      ILE  14  23.436  -0.784   5.825
  108   2HG2  ILE  14          2HG2      ILE  14  21.947  -1.455   6.490
  109   3HG2  ILE  14          3HG2      ILE  14  22.818  -2.324   5.227
  110   1HD1  ILE  14          1HD1      ILE  14  22.675   1.190   5.951
  111   2HD1  ILE  14          2HD1      ILE  14  21.495   2.433   5.533
  112   3HD1  ILE  14          3HD1      ILE  14  21.294   1.486   7.007
  113    H    PHE  15           H        PHE  15  22.155  -1.266   1.481
  114    HA   PHE  15           HA       PHE  15  24.143  -3.319   1.708
  115   1HB   PHE  15          1HB       PHE  15  21.905  -3.090   0.257
  116   2HB   PHE  15          2HB       PHE  15  23.061  -2.577  -0.971
  117    HD1  PHE  15           HD1      PHE  15  22.399  -5.289   1.515
  118    HD2  PHE  15           HD2      PHE  15  24.332  -4.168  -2.153
  119    HE1  PHE  15           HE1      PHE  15  23.035  -7.654   1.128
  120    HE2  PHE  15           HE2      PHE  15  24.968  -6.533  -2.541
  121    HZ   PHE  15           HZ       PHE  15  24.321  -8.276  -0.900
  122    H    ILE  16           H        ILE  16  24.014  -0.313  -0.194
  123    HA   ILE  16           HA       ILE  16  26.633  -0.775  -1.386
  124    HB   ILE  16           HB       ILE  16  25.030   1.792  -1.262
  125   1HG1  ILE  16          1HG1      ILE  16  23.691  -0.050  -2.222
  126   2HG1  ILE  16          2HG1      ILE  16  24.135   1.118  -3.463
  127   1HG2  ILE  16          1HG2      ILE  16  27.462   1.922  -1.927
  128   2HG2  ILE  16          2HG2      ILE  16  27.082   0.869  -3.290
  129   3HG2  ILE  16          3HG2      ILE  16  26.338   2.464  -3.173
  130   1HD1  ILE  16          1HD1      ILE  16  26.145  -0.418  -3.952
  131   2HD1  ILE  16          2HD1      ILE  16  25.310  -1.626  -2.977
  132   3HD1  ILE  16          3HD1      ILE  16  24.558  -1.006  -4.446
  133    H    TYR  17           H        TYR  17  25.457   0.681   1.551
  134    HA   TYR  17           HA       TYR  17  27.590   2.504   2.066
  135   1HB   TYR  17          1HB       TYR  17  25.281   1.693   3.393
  136   2HB   TYR  17          2HB       TYR  17  26.571   1.148   4.460
  137    HD1  TYR  17           HD1      TYR  17  25.936   4.141   2.274
  138    HD2  TYR  17           HD2      TYR  17  27.137   2.665   6.124
  139    HE1  TYR  17           HE1      TYR  17  26.257   6.469   3.066
  140    HE2  TYR  17           HE2      TYR  17  27.459   4.992   6.917
  141    HH   TYR  17           HH       TYR  17  27.911   7.232   5.913
  142    H    PHE  18           H        PHE  18  27.185  -0.916   3.049
  143    HA   PHE  18           HA       PHE  18  29.925  -0.981   4.113
  144   1HB   PHE  18          1HB       PHE  18  27.564  -2.786   4.114
  145   2HB   PHE  18          2HB       PHE  18  29.144  -3.565   4.189
  146    HD1  PHE  18           HD1      PHE  18  27.135  -0.831   5.766
  147    HD2  PHE  18           HD2      PHE  18  30.303  -3.694   6.226
  148    HE1  PHE  18           HE1      PHE  18  27.300  -0.261   8.174
  149    HE2  PHE  18           HE2      PHE  18  30.468  -3.125   8.635
  150    HZ   PHE  18           HZ       PHE  18  28.967  -1.408   9.608
  151    H    ALA  19           H        ALA  19  28.238  -1.940   1.204
  152    HA   ALA  19           HA       ALA  19  30.074  -3.849   0.168
  153   1HB   ALA  19          1HB       ALA  19  27.828  -3.376  -0.788
  154   2HB   ALA  19          2HB       ALA  19  28.430  -1.824  -1.372
  155   3HB   ALA  19          3HB       ALA  19  29.099  -3.325  -2.011
  156    H    ALA  20           H        ALA  20  29.891  -0.353  -0.478
  157    HA   ALA  20           HA       ALA  20  32.074  -0.062  -2.198
  158   1HB   ALA  20          1HB       ALA  20  30.357   1.672  -1.189
  159   2HB   ALA  20          2HB       ALA  20  31.664   1.971  -0.043
  160   3HB   ALA  20          3HB       ALA  20  31.934   2.212  -1.769
  161    H    LEU  21           H        LEU  21  32.160   0.232   1.335
  162    HA   LEU  21           HA       LEU  21  35.080   0.422   1.366
  163   1HB   LEU  21          1HB       LEU  21  32.859   0.747   3.252
  164   2HB   LEU  21          2HB       LEU  21  34.277   0.006   3.982
  165    HG   LEU  21           HG       LEU  21  35.659   1.870   2.968
  166   1HD1  LEU  21          1HD1      LEU  21  32.893   2.994   2.435
  167   2HD1  LEU  21          2HD1      LEU  21  34.398   3.898   2.275
  168   3HD1  LEU  21          3HD1      LEU  21  34.076   2.526   1.214
  169   1HD2  LEU  21          1HD2      LEU  21  33.634   2.119   5.127
  170   2HD2  LEU  21          2HD2      LEU  21  35.381   2.354   5.191
  171   3HD2  LEU  21          3HD2      LEU  21  34.341   3.635   4.567
  172    H    SER  22           H        SER  22  32.946  -2.224   1.255
  173    HA   SER  22           HA       SER  22  34.139  -4.087   3.017
  174   1HB   SER  22          1HB       SER  22  32.227  -4.146   0.889
  175   2HB   SER  22          2HB       SER  22  33.353  -5.477   0.649
  176    HG   SER  22           HG       SER  22  31.367  -5.409   2.312
  177    HA   PRO  23           HA       PRO  23  37.114  -5.434  -0.575
  178   1HB   PRO  23          1HB       PRO  23  37.287  -3.819  -2.769
  179   2HB   PRO  23          2HB       PRO  23  36.169  -5.174  -2.638
  180   1HG   PRO  23          1HG       PRO  23  35.628  -2.277  -2.433
  181   2HG   PRO  23          2HG       PRO  23  34.587  -3.584  -3.021
  182   1HD   PRO  23          1HD       PRO  23  34.385  -2.393  -0.522
  183   2HD   PRO  23          2HD       PRO  23  33.710  -3.969  -0.960
  184    H    ALA  24           H        ALA  24  36.947  -1.914  -1.007
  185    HA   ALA  24           HA       ALA  24  39.651  -1.284  -1.061
  186   1HB   ALA  24          1HB       ALA  24  37.817   0.359  -1.351
  187   2HB   ALA  24          2HB       ALA  24  37.516   0.308   0.386
  188   3HB   ALA  24          3HB       ALA  24  39.046   0.936  -0.225
  189    H    ILE  25           H        ILE  25  37.797  -2.238   1.764
  190    HA   ILE  25           HA       ILE  25  39.977  -1.465   3.593
  191    HB   ILE  25           HB       ILE  25  37.300  -2.805   4.106
  192   1HG1  ILE  25          1HG1      ILE  25  38.292   0.011   4.664
  193   2HG1  ILE  25          2HG1      ILE  25  37.235  -0.432   3.325
  194   1HG2  ILE  25          1HG2      ILE  25  39.427  -1.771   6.021
  195   2HG2  ILE  25          2HG2      ILE  25  37.791  -2.221   6.503
  196   3HG2  ILE  25          3HG2      ILE  25  38.887  -3.442   5.856
  197   1HD1  ILE  25          1HD1      ILE  25  36.592  -0.879   6.256
  198   2HD1  ILE  25          2HD1      ILE  25  35.963   0.448   5.278
  199   3HD1  ILE  25          3HD1      ILE  25  35.526  -1.218   4.893
  200    H    THR  26           H        THR  26  38.419  -4.479   2.464
  201    HA   THR  26           HA       THR  26  39.984  -6.254   4.054
  202    HB   THR  26           HB       THR  26  38.835  -6.819   1.307
  203    HG1  THR  26           HG1      THR  26  36.954  -7.270   2.371
  204   1HG2  THR  26          1HG2      THR  26  39.609  -8.534   3.675
  205   2HG2  THR  26          2HG2      THR  26  38.592  -9.120   2.358
  206   3HG2  THR  26          3HG2      THR  26  40.250  -8.612   2.033
  207    H    PHE  27           H        PHE  27  40.384  -5.573   0.559
  208    HA   PHE  27           HA       PHE  27  43.009  -6.764   0.464
  209   1HB   PHE  27          1HB       PHE  27  41.155  -5.901  -1.410
  210   2HB   PHE  27          2HB       PHE  27  42.460  -4.730  -1.589
  211    HD1  PHE  27           HD1      PHE  27  41.797  -8.405  -1.385
  212    HD2  PHE  27           HD2      PHE  27  44.412  -5.295  -2.779
  213    HE1  PHE  27           HE1      PHE  27  43.125 -10.084  -2.637
  214    HE2  PHE  27           HE2      PHE  27  45.740  -6.974  -4.031
  215    HZ   PHE  27           HZ       PHE  27  45.096  -9.368  -3.961
  216    H    GLY  28           H        GLY  28  44.243  -5.758   2.129
  217   1HA   GLY  28          1HA       GLY  28  44.571  -2.861   2.217
  218   2HA   GLY  28          2HA       GLY  28  45.481  -4.035   3.168
  219    H    GLY  29           H        GLY  29  46.054  -1.681   1.093
  220   1HA   GLY  29          1HA       GLY  29  48.672  -2.333   0.416
  221   2HA   GLY  29          2HA       GLY  29  47.706  -2.951  -0.925
  222    H    LEU  30           H        LEU  30  48.240   0.017   0.985
  223    HA   LEU  30           HA       LEU  30  46.985   1.738  -0.983
  224   1HB   LEU  30          1HB       LEU  30  48.335   2.037   1.606
  225   2HB   LEU  30          2HB       LEU  30  48.705   3.353   0.494
  226    HG   LEU  30           HG       LEU  30  46.705   3.874   1.840
  227   1HD1  LEU  30          1HD1      LEU  30  46.995   4.308  -0.791
  228   2HD1  LEU  30          2HD1      LEU  30  45.539   3.313  -0.845
  229   3HD1  LEU  30          3HD1      LEU  30  45.550   4.810   0.087
  230   1HD2  LEU  30          1HD2      LEU  30  46.077   1.360   1.988
  231   2HD2  LEU  30          2HD2      LEU  30  44.763   2.528   1.852
  232   3HD2  LEU  30          3HD2      LEU  30  45.280   1.614   0.435
  233    H    LEU  31           H        LEU  31  47.860   2.349  -2.885
  234    HA   LEU  31           HA       LEU  31  50.571   1.632  -3.613
  235   1HB   LEU  31          1HB       LEU  31  48.608   1.751  -5.198
  236   2HB   LEU  31          2HB       LEU  31  48.690   3.507  -5.073
  237    HG   LEU  31           HG       LEU  31  51.323   2.380  -5.621
  238   1HD1  LEU  31          1HD1      LEU  31  49.730   0.671  -6.720
  239   2HD1  LEU  31          2HD1      LEU  31  49.305   1.973  -7.831
  240   3HD1  LEU  31          3HD1      LEU  31  50.969   1.395  -7.745
  241   1HD2  LEU  31          1HD2      LEU  31  50.398   4.764  -5.941
  242   2HD2  LEU  31          2HD2      LEU  31  51.385   4.114  -7.250
  243   3HD2  LEU  31          3HD2      LEU  31  49.629   4.142  -7.402
  244    H    GLY  32           H        GLY  32  48.993   4.582  -2.505
  245   1HA   GLY  32          1HA       GLY  32  51.527   5.782  -1.787
  246   2HA   GLY  32          2HA       GLY  32  50.844   6.549  -3.222
  247    H    GLU  33           H        GLU  33  51.207   7.606  -0.442
  248    HA   GLU  33           HA       GLU  33  48.572   7.827   0.749
  249   1HB   GLU  33          1HB       GLU  33  51.284   8.875   1.265
  250   2HB   GLU  33          2HB       GLU  33  49.986   9.977   1.727
  251   1HG   GLU  33          1HG       GLU  33  49.676   7.109   2.488
  252   2HG   GLU  33          2HG       GLU  33  50.863   8.060   3.381
  253    H    LYS  34           H        LYS  34  50.597  10.047  -1.189
  254    HA   LYS  34           HA       LYS  34  48.439  12.008  -1.391
  255   1HB   LYS  34          1HB       LYS  34  51.067  11.814  -2.897
  256   2HB   LYS  34          2HB       LYS  34  49.992  13.213  -2.880
  257   1HG   LYS  34          1HG       LYS  34  50.278  12.870  -0.225
  258   2HG   LYS  34          2HG       LYS  34  51.819  12.200  -0.759
  259   1HD   LYS  34          1HD       LYS  34  52.537  14.352  -0.789
  260   2HD   LYS  34          2HD       LYS  34  51.628  14.484  -2.293
  261   1HE   LYS  34          1HE       LYS  34  49.627  15.190  -0.989
  262   2HE   LYS  34          2HE       LYS  34  50.597  15.135   0.484
  263   1HZ   LYS  34          1HZ       LYS  34  51.377  16.754  -1.868
  264   2HZ   LYS  34          2HZ       LYS  34  50.381  17.367  -0.636
  265   3HZ   LYS  34          3HZ       LYS  34  51.961  16.864  -0.276
  Start of MODEL   10
    1   1H    ACE   1          HA1       ACE   1  14.181  14.233  -3.768
    2   2H    ACE   1          HA2       ACE   1  13.464  12.646  -3.494
    3   3H    ACE   1          HA3       ACE   1  14.171  13.539  -2.147
    4    H    ARG   2           H        ARG   2  11.274  12.675  -3.404
    5    HA   ARG   2           HA       ARG   2   9.814  15.179  -3.172
    6   1HB   ARG   2          1HB       ARG   2   8.807  12.317  -3.171
    7   2HB   ARG   2          2HB       ARG   2   7.806  13.757  -3.367
    8   1HG   ARG   2          1HG       ARG   2   9.395  14.329  -5.341
    9   2HG   ARG   2          2HG       ARG   2   9.873  12.635  -5.253
   10   1HD   ARG   2          1HD       ARG   2   8.022  12.034  -6.379
   11   2HD   ARG   2          2HD       ARG   2   7.005  12.780  -5.147
   12    HE   ARG   2           HE       ARG   2   8.078  14.251  -7.521
   13   1HH1  ARG   2          1HH2      ARG   2   5.200  13.074  -6.752
   14   2HH1  ARG   2          2HH2      ARG   2   4.369  14.574  -6.507
   15   1HH2  ARG   2          1HH1      ARG   2   7.268  16.475  -6.456
   16   2HH2  ARG   2          2HH1      ARG   2   5.540  16.500  -6.341
   17    H    TYR   3           H        TYR   3  10.015  12.244  -1.150
   18    HA   TYR   3           HA       TYR   3  10.166  13.608   1.323
   19   1HB   TYR   3          1HB       TYR   3   7.540  13.696   0.209
   20   2HB   TYR   3          2HB       TYR   3   7.483  12.585   1.575
   21    HD1  TYR   3           HD1      TYR   3   9.144  13.531   3.607
   22    HD2  TYR   3           HD2      TYR   3   6.943  15.871   0.755
   23    HE1  TYR   3           HE1      TYR   3   9.165  15.456   5.170
   24    HE2  TYR   3           HE2      TYR   3   6.965  17.796   2.319
   25    HH   TYR   3           HH       TYR   3   7.755  17.516   5.567
   26    HA   PRO   4           HA       PRO   4   9.228   8.947   2.033
   27   1HB   PRO   4          1HB       PRO   4   7.949   7.527   0.086
   28   2HB   PRO   4          2HB       PRO   4   7.104   8.471   1.314
   29   1HG   PRO   4          1HG       PRO   4   7.328   8.973  -1.541
   30   2HG   PRO   4          2HG       PRO   4   6.246   9.719  -0.355
   31   1HD   PRO   4          1HD       PRO   4   8.727  10.761  -1.457
   32   2HD   PRO   4          2HD       PRO   4   7.532  11.579  -0.440
   33    H    TYR   5           H        TYR   5   9.396   8.702  -1.506
   34    HA   TYR   5           HA       TYR   5  11.237   6.633  -1.747
   35   1HB   TYR   5          1HB       TYR   5   9.919   8.056  -3.531
   36   2HB   TYR   5          2HB       TYR   5  11.423   8.966  -3.620
   37    HD1  TYR   5           HD1      TYR   5  13.554   7.804  -4.252
   38    HD2  TYR   5           HD2      TYR   5   9.736   5.842  -4.429
   39    HE1  TYR   5           HE1      TYR   5  14.526   6.042  -5.701
   40    HE2  TYR   5           HE2      TYR   5  10.708   4.082  -5.880
   41    HH   TYR   5           HH       TYR   5  13.099   3.122  -6.252
   42    H    TYR   6           H        TYR   6  11.895   9.958  -0.865
   43    HA   TYR   6           HA       TYR   6  14.677  10.053  -1.467
   44   1HB   TYR   6          1HB       TYR   6  13.314  12.033  -0.829
   45   2HB   TYR   6          2HB       TYR   6  13.209  11.406   0.815
   46    HD1  TYR   6           HD1      TYR   6  15.829  12.101  -1.792
   47    HD2  TYR   6           HD2      TYR   6  14.751  12.185   2.364
   48    HE1  TYR   6           HE1      TYR   6  18.015  13.140  -1.246
   49    HE2  TYR   6           HE2      TYR   6  16.935  13.223   2.912
   50    HH   TYR   6           HH       TYR   6  18.677  14.747   1.397
   51    H    LEU   7           H        LEU   7  13.155   9.432   1.709
   52    HA   LEU   7           HA       LEU   7  15.541   8.649   3.026
   53   1HB   LEU   7          1HB       LEU   7  12.920   8.990   3.782
   54   2HB   LEU   7          2HB       LEU   7  13.111   7.243   3.930
   55    HG   LEU   7           HG       LEU   7  15.229   9.065   5.036
   56   1HD1  LEU   7          1HD1      LEU   7  12.482   8.571   6.129
   57   2HD1  LEU   7          2HD1      LEU   7  13.838   8.660   7.253
   58   3HD1  LEU   7          3HD1      LEU   7  13.470  10.030   6.205
   59   1HD2  LEU   7          1HD2      LEU   7  14.196   6.275   5.567
   60   2HD2  LEU   7          2HD2      LEU   7  15.816   6.764   5.071
   61   3HD2  LEU   7          3HD2      LEU   7  15.255   7.104   6.708
   62    H    SER   8           H        SER   8  13.395   6.812   0.938
   63    HA   SER   8           HA       SER   8  14.361   4.197   1.688
   64   1HB   SER   8          1HB       SER   8  12.233   4.514   0.490
   65   2HB   SER   8          2HB       SER   8  13.104   5.147  -0.904
   66    HG   SER   8           HG       SER   8  12.658   2.589  -0.161
   67    H    ASP   9           H        ASP   9  15.451   6.649  -0.574
   68    HA   ASP   9           HA       ASP   9  17.310   4.921  -1.981
   69   1HB   ASP   9          1HB       ASP   9  16.287   7.120  -2.816
   70   2HB   ASP   9          2HB       ASP   9  17.484   7.929  -1.804
   71    H    ILE  10           H        ILE  10  17.647   7.285   0.682
   72    HA   ILE  10           HA       ILE  10  20.503   7.111   0.870
   73    HB   ILE  10           HB       ILE  10  18.352   7.884   2.865
   74   1HG1  ILE  10          1HG1      ILE  10  19.739  10.102   2.508
   75   2HG1  ILE  10          2HG1      ILE  10  20.263   9.294   1.031
   76   1HG2  ILE  10          1HG2      ILE  10  21.362   7.856   3.238
   77   2HG2  ILE  10          2HG2      ILE  10  20.281   8.844   4.220
   78   3HG2  ILE  10          3HG2      ILE  10  20.147   7.086   4.260
   79   1HD1  ILE  10          1HD1      ILE  10  17.343   9.464   1.758
   80   2HD1  ILE  10          2HD1      ILE  10  18.148  10.778   0.899
   81   3HD1  ILE  10          3HD1      ILE  10  18.068   9.172   0.176
   82    H    THR  11           H        THR  11  17.903   5.166   2.320
   83    HA   THR  11           HA       THR  11  19.646   3.633   4.039
   84    HB   THR  11           HB       THR  11  17.140   2.410   2.970
   85    HG1  THR  11           HG1      THR  11  15.876   3.837   4.077
   86   1HG2  THR  11          1HG2      THR  11  18.512   2.708   5.644
   87   2HG2  THR  11          2HG2      THR  11  16.867   2.087   5.503
   88   3HG2  THR  11          3HG2      THR  11  18.202   1.229   4.734
   89    H    ASP  12           H        ASP  12  18.685   3.374   0.672
   90    HA   ASP  12           HA       ASP  12  19.666   0.659   0.325
   91   1HB   ASP  12          1HB       ASP  12  18.439   2.746  -1.340
   92   2HB   ASP  12          2HB       ASP  12  19.669   1.817  -2.197
   93    H    VAL  13           H        VAL  13  21.049   3.880   0.071
   94    HA   VAL  13           HA       VAL  13  23.452   3.014  -1.313
   95    HB   VAL  13           HB       VAL  13  22.938   5.528   0.287
   96   1HG1  VAL  13          1HG1      VAL  13  25.141   4.647  -1.578
   97   2HG1  VAL  13          2HG1      VAL  13  24.781   6.358  -1.344
   98   3HG1  VAL  13          3HG1      VAL  13  25.284   5.367   0.026
   99   1HG2  VAL  13          1HG2      VAL  13  22.140   4.635  -2.410
  100   2HG2  VAL  13          2HG2      VAL  13  21.480   5.932  -1.414
  101   3HG2  VAL  13          3HG2      VAL  13  22.928   6.213  -2.380
  102    H    ILE  14           H        ILE  14  22.437   3.327   2.030
  103    HA   ILE  14           HA       ILE  14  25.099   3.037   3.156
  104    HB   ILE  14           HB       ILE  14  22.359   2.589   4.392
  105   1HG1  ILE  14          1HG1      ILE  14  24.199   4.968   4.707
  106   2HG1  ILE  14          2HG1      ILE  14  22.971   4.900   3.443
  107   1HG2  ILE  14          1HG2      ILE  14  25.156   2.651   5.514
  108   2HG2  ILE  14          2HG2      ILE  14  23.790   3.158   6.507
  109   3HG2  ILE  14          3HG2      ILE  14  23.850   1.517   5.863
  110   1HD1  ILE  14          1HD1      ILE  14  22.097   4.227   6.210
  111   2HD1  ILE  14          2HD1      ILE  14  22.464   5.920   5.877
  112   3HD1  ILE  14          3HD1      ILE  14  21.230   5.083   4.934
  113    H    PHE  15           H        PHE  15  22.454   0.851   2.313
  114    HA   PHE  15           HA       PHE  15  23.518  -1.512   3.534
  115   1HB   PHE  15          1HB       PHE  15  21.169  -1.139   2.545
  116   2HB   PHE  15          2HB       PHE  15  21.904  -1.490   0.980
  117    HD1  PHE  15           HD1      PHE  15  23.215  -3.684   0.728
  118    HD2  PHE  15           HD2      PHE  15  20.555  -2.892   4.007
  119    HE1  PHE  15           HE1      PHE  15  23.082  -6.113   1.206
  120    HE2  PHE  15           HE2      PHE  15  20.421  -5.323   4.485
  121    HZ   PHE  15           HZ       PHE  15  21.684  -6.933   3.083
  122    H    ILE  16           H        ILE  16  23.918  -0.105   0.291
  123    HA   ILE  16           HA       ILE  16  25.665  -2.240  -0.632
  124    HB   ILE  16           HB       ILE  16  25.301   0.560  -1.746
  125   1HG1  ILE  16          1HG1      ILE  16  23.928  -1.994  -2.618
  126   2HG1  ILE  16          2HG1      ILE  16  23.193  -0.853  -1.492
  127   1HG2  ILE  16          1HG2      ILE  16  26.345  -2.018  -2.960
  128   2HG2  ILE  16          2HG2      ILE  16  26.038  -0.535  -3.863
  129   3HG2  ILE  16          3HG2      ILE  16  27.288  -0.568  -2.619
  130   1HD1  ILE  16          1HD1      ILE  16  23.655   0.944  -3.272
  131   2HD1  ILE  16          2HD1      ILE  16  23.958  -0.395  -4.379
  132   3HD1  ILE  16          3HD1      ILE  16  22.373  -0.212  -3.630
  133    H    TYR  17           H        TYR  17  26.092   0.725   1.156
  134    HA   TYR  17           HA       TYR  17  28.821   1.274   0.579
  135   1HB   TYR  17          1HB       TYR  17  26.919   2.434   2.155
  136   2HB   TYR  17          2HB       TYR  17  27.941   1.686   3.380
  137    HD1  TYR  17           HD1      TYR  17  30.623   1.865   2.444
  138    HD2  TYR  17           HD2      TYR  17  27.432   4.692   1.912
  139    HE1  TYR  17           HE1      TYR  17  32.282   3.686   2.170
  140    HE2  TYR  17           HE2      TYR  17  29.094   6.514   1.638
  141    HH   TYR  17           HH       TYR  17  31.927   6.574   2.605
  142    H    PHE  18           H        PHE  18  27.351  -0.848   3.039
  143    HA   PHE  18           HA       PHE  18  30.015  -1.751   3.915
  144   1HB   PHE  18          1HB       PHE  18  27.223  -2.028   4.888
  145   2HB   PHE  18          2HB       PHE  18  28.311  -3.367   5.249
  146    HD1  PHE  18           HD1      PHE  18  30.455  -2.935   6.486
  147    HD2  PHE  18           HD2      PHE  18  27.449   0.091   5.974
  148    HE1  PHE  18           HE1      PHE  18  31.490  -1.600   8.302
  149    HE2  PHE  18           HE2      PHE  18  28.485   1.426   7.789
  150    HZ   PHE  18           HZ       PHE  18  30.505   0.582   8.953
  151    H    ALA  19           H        ALA  19  27.384  -2.851   1.890
  152    HA   ALA  19           HA       ALA  19  27.908  -5.630   1.764
  153   1HB   ALA  19          1HB       ALA  19  26.077  -4.098   0.606
  154   2HB   ALA  19          2HB       ALA  19  27.221  -4.130  -0.737
  155   3HB   ALA  19          3HB       ALA  19  26.544  -5.637  -0.119
  156    H    ALA  20           H        ALA  20  29.138  -3.072  -0.380
  157    HA   ALA  20           HA       ALA  20  30.867  -4.650  -1.957
  158   1HB   ALA  20          1HB       ALA  20  30.802  -1.763  -1.161
  159   2HB   ALA  20          2HB       ALA  20  32.191  -2.377  -2.058
  160   3HB   ALA  20          3HB       ALA  20  30.573  -2.484  -2.754
  161    H    LEU  21           H        LEU  21  31.655  -2.778   0.951
  162    HA   LEU  21           HA       LEU  21  34.388  -3.795   1.064
  163   1HB   LEU  21          1HB       LEU  21  32.703  -1.888   2.562
  164   2HB   LEU  21          2HB       LEU  21  33.984  -2.661   3.496
  165    HG   LEU  21           HG       LEU  21  35.614  -2.004   1.709
  166   1HD1  LEU  21          1HD1      LEU  21  33.114  -0.735   0.599
  167   2HD1  LEU  21          2HD1      LEU  21  34.706  -0.080   0.220
  168   3HD1  LEU  21          3HD1      LEU  21  34.304  -1.735  -0.233
  169   1HD2  LEU  21          1HD2      LEU  21  34.968  -0.603   3.808
  170   2HD2  LEU  21          2HD2      LEU  21  35.886   0.190   2.527
  171   3HD2  LEU  21          3HD2      LEU  21  34.148   0.454   2.658
  172    H    SER  22           H        SER  22  31.522  -5.279   1.914
  173    HA   SER  22           HA       SER  22  31.809  -6.341   4.464
  174   1HB   SER  22          1HB       SER  22  30.629  -7.375   1.941
  175   2HB   SER  22          2HB       SER  22  30.881  -8.539   3.235
  176    HG   SER  22           HG       SER  22  29.241  -6.273   3.134
  177    HA   PRO  23           HA       PRO  23  34.791  -9.821   2.876
  178   1HB   PRO  23          1HB       PRO  23  35.885  -9.559   0.392
  179   2HB   PRO  23          2HB       PRO  23  34.366 -10.394   0.705
  180   1HG   PRO  23          1HG       PRO  23  34.828  -7.772  -0.540
  181   2HG   PRO  23          2HG       PRO  23  33.468  -8.890  -0.731
  182   1HD   PRO  23          1HD       PRO  23  33.516  -6.554   0.843
  183   2HD   PRO  23          2HD       PRO  23  32.257  -7.794   0.839
  184    H    ALA  24           H        ALA  24  35.906  -7.020   1.001
  185    HA   ALA  24           HA       ALA  24  38.630  -7.107   1.531
  186   1HB   ALA  24          1HB       ALA  24  36.714  -4.879   1.011
  187   2HB   ALA  24          2HB       ALA  24  38.355  -4.462   1.506
  188   3HB   ALA  24          3HB       ALA  24  38.090  -5.425   0.052
  189    H    ILE  25           H        ILE  25  36.118  -6.102   3.759
  190    HA   ILE  25           HA       ILE  25  37.929  -4.825   5.642
  191    HB   ILE  25           HB       ILE  25  35.043  -5.745   5.833
  192   1HG1  ILE  25          1HG1      ILE  25  35.559  -3.770   4.414
  193   2HG1  ILE  25          2HG1      ILE  25  34.602  -3.327   5.825
  194   1HG2  ILE  25          1HG2      ILE  25  36.814  -4.479   7.941
  195   2HG2  ILE  25          2HG2      ILE  25  35.058  -4.316   7.974
  196   3HG2  ILE  25          3HG2      ILE  25  35.798  -5.912   8.092
  197   1HD1  ILE  25          1HD1      ILE  25  37.343  -3.152   6.583
  198   2HD1  ILE  25          2HD1      ILE  25  37.180  -2.342   5.025
  199   3HD1  ILE  25          3HD1      ILE  25  36.188  -1.833   6.390
  200    H    THR  26           H        THR  26  36.364  -8.032   5.438
  201    HA   THR  26           HA       THR  26  37.239  -9.126   7.885
  202    HB   THR  26           HB       THR  26  37.282 -10.734   5.334
  203    HG1  THR  26           HG1      THR  26  34.990  -9.905   6.781
  204   1HG2  THR  26          1HG2      THR  26  36.795 -11.196   8.248
  205   2HG2  THR  26          2HG2      THR  26  35.948 -12.218   7.087
  206   3HG2  THR  26          3HG2      THR  26  37.710 -12.171   7.096
  207    H    PHE  27           H        PHE  27  38.932  -9.196   4.734
  208    HA   PHE  27           HA       PHE  27  41.397 -10.131   6.062
  209   1HB   PHE  27          1HB       PHE  27  40.490  -9.802   3.223
  210   2HB   PHE  27          2HB       PHE  27  42.220  -9.833   3.563
  211    HD1  PHE  27           HD1      PHE  27  39.128 -11.687   4.633
  212    HD2  PHE  27           HD2      PHE  27  43.257 -11.909   3.472
  213    HE1  PHE  27           HE1      PHE  27  39.051 -14.158   4.830
  214    HE2  PHE  27           HE2      PHE  27  43.180 -14.380   3.668
  215    HZ   PHE  27           HZ       PHE  27  41.077 -15.505   4.347
  216    H    GLY  28           H        GLY  28  42.559  -8.550   7.060
  217   1HA   GLY  28          1HA       GLY  28  42.462  -5.781   6.057
  218   2HA   GLY  28          2HA       GLY  28  43.227  -6.312   7.553
  219    H    GLY  29           H        GLY  29  43.649  -7.260   4.123
  220   1HA   GLY  29          1HA       GLY  29  46.347  -6.149   4.044
  221   2HA   GLY  29          2HA       GLY  29  46.324  -7.911   4.118
  222    H    LEU  30           H        LEU  30  44.879  -8.985   2.437
  223    HA   LEU  30           HA       LEU  30  45.495  -7.841  -0.189
  224   1HB   LEU  30          1HB       LEU  30  44.162 -10.401   0.716
  225   2HB   LEU  30          2HB       LEU  30  44.295  -9.956  -0.986
  226    HG   LEU  30           HG       LEU  30  46.831  -9.584  -0.401
  227   1HD1  LEU  30          1HD1      LEU  30  45.750 -11.179   1.901
  228   2HD1  LEU  30          2HD1      LEU  30  47.384 -11.500   1.323
  229   3HD1  LEU  30          3HD1      LEU  30  46.954  -9.892   1.907
  230   1HD2  LEU  30          1HD2      LEU  30  45.610 -11.436  -1.808
  231   2HD2  LEU  30          2HD2      LEU  30  47.278 -11.703  -1.298
  232   3HD2  LEU  30          3HD2      LEU  30  45.954 -12.463  -0.416
  233    H    LEU  31           H        LEU  31  44.170  -5.986  -0.353
  234    HA   LEU  31           HA       LEU  31  41.369  -5.933   0.243
  235   1HB   LEU  31          1HB       LEU  31  42.883  -3.928  -0.101
  236   2HB   LEU  31          2HB       LEU  31  42.790  -4.247  -1.833
  237    HG   LEU  31           HG       LEU  31  40.171  -4.206  -0.464
  238   1HD1  LEU  31          1HD1      LEU  31  42.033  -1.847  -0.429
  239   2HD1  LEU  31          2HD1      LEU  31  40.301  -1.586  -0.637
  240   3HD1  LEU  31          3HD1      LEU  31  40.903  -2.393   0.812
  241   1HD2  LEU  31          1HD2      LEU  31  41.413  -3.107  -2.986
  242   2HD2  LEU  31          2HD2      LEU  31  40.130  -4.305  -2.823
  243   3HD2  LEU  31          3HD2      LEU  31  39.798  -2.608  -2.478
  244    H    GLY  32           H        GLY  32  43.177  -6.723  -2.702
  245   1HA   GLY  32          1HA       GLY  32  41.836  -8.598  -3.952
  246   2HA   GLY  32          2HA       GLY  32  40.612  -7.333  -4.091
  247    H    GLU  33           H        GLU  33  43.270  -8.715  -5.609
  248    HA   GLU  33           HA       GLU  33  44.352  -6.367  -6.924
  249   1HB   GLU  33          1HB       GLU  33  44.653  -9.323  -7.180
  250   2HB   GLU  33          2HB       GLU  33  45.076  -8.349  -8.589
  251   1HG   GLU  33          1HG       GLU  33  47.102  -8.299  -7.480
  252   2HG   GLU  33          2HG       GLU  33  46.338  -6.891  -6.743
  253    H    LYS  34           H        LYS  34  42.266  -9.035  -8.093
  254    HA   LYS  34           HA       LYS  34  41.110  -7.108 -10.054
  255   1HB   LYS  34          1HB       LYS  34  42.680  -9.145 -10.829
  256   2HB   LYS  34          2HB       LYS  34  41.149 -10.014 -10.716
  257   1HG   LYS  34          1HG       LYS  34  40.307  -7.805 -12.022
  258   2HG   LYS  34          2HG       LYS  34  41.974  -7.866 -12.598
  259   1HD   LYS  34          1HD       LYS  34  40.325 -10.376 -12.597
  260   2HD   LYS  34          2HD       LYS  34  40.103  -9.194 -13.888
  261   1HE   LYS  34          1HE       LYS  34  42.913  -9.893 -13.216
  262   2HE   LYS  34          2HE       LYS  34  41.962 -11.149 -14.008
  263   1HZ   LYS  34          1HZ       LYS  34  41.354  -9.498 -15.711
  264   2HZ   LYS  34          2HZ       LYS  34  42.399  -8.380 -14.981
  265   3HZ   LYS  34          3HZ       LYS  34  43.024  -9.806 -15.661
  Start of MODEL   11
    1   1H    ACE   1          HA1       ACE   1   5.121  -4.644   9.174
    2   2H    ACE   1          HA2       ACE   1   6.861  -4.696   8.886
    3   3H    ACE   1          HA3       ACE   1   6.159  -5.620  10.213
    4    H    ARG   2           H        ARG   2   5.204  -5.303   6.775
    5    HA   ARG   2           HA       ARG   2   4.573  -8.108   6.558
    6   1HB   ARG   2          1HB       ARG   2   3.724  -6.099   5.127
    7   2HB   ARG   2          2HB       ARG   2   5.189  -6.371   4.182
    8   1HG   ARG   2          1HG       ARG   2   4.521  -8.781   3.950
    9   2HG   ARG   2          2HG       ARG   2   2.996  -8.385   4.741
   10   1HD   ARG   2          1HD       ARG   2   3.591  -6.548   2.548
   11   2HD   ARG   2          2HD       ARG   2   3.515  -8.224   2.007
   12    HE   ARG   2           HE       ARG   2   1.227  -8.322   3.026
   13   1HH1  ARG   2          1HH2      ARG   2   1.316  -6.307   0.743
   14   2HH1  ARG   2          2HH2      ARG   2   0.464  -4.971   1.440
   15   1HH2  ARG   2          1HH1      ARG   2   0.727  -6.159   4.688
   16   2HH2  ARG   2          2HH1      ARG   2   0.133  -4.885   3.676
   17    H    TYR   3           H        TYR   3   7.382  -6.158   5.659
   18    HA   TYR   3           HA       TYR   3   9.087  -8.529   5.699
   19   1HB   TYR   3          1HB       TYR   3   7.984  -7.580   3.195
   20   2HB   TYR   3          2HB       TYR   3   9.730  -7.351   3.187
   21    HD1  TYR   3           HD1      TYR   3  10.848  -9.519   4.646
   22    HD2  TYR   3           HD2      TYR   3   7.408  -9.547   2.081
   23    HE1  TYR   3           HE1      TYR   3  11.176 -11.946   4.238
   24    HE2  TYR   3           HE2      TYR   3   7.732 -11.973   1.672
   25    HH   TYR   3           HH       TYR   3   9.387 -13.934   3.495
   26    HA   PRO   4           HA       PRO   4  11.156  -4.520   6.826
   27   1HB   PRO   4          1HB       PRO   4  11.315  -4.954   9.512
   28   2HB   PRO   4          2HB       PRO   4   9.926  -4.199   8.727
   29   1HG   PRO   4          1HG       PRO   4  10.102  -6.801  10.002
   30   2HG   PRO   4          2HG       PRO   4   8.666  -5.916   9.465
   31   1HD   PRO   4          1HD       PRO   4  10.076  -8.090   8.123
   32   2HD   PRO   4          2HD       PRO   4   8.502  -7.374   7.732
   33    H    TYR   5           H        TYR   5  11.845  -7.327   8.891
   34    HA   TYR   5           HA       TYR   5  14.617  -6.898   9.141
   35   1HB   TYR   5          1HB       TYR   5  12.919  -8.603  10.279
   36   2HB   TYR   5          2HB       TYR   5  13.600  -9.699   9.081
   37    HD1  TYR   5           HD1      TYR   5  14.332  -7.594  12.023
   38    HD2  TYR   5           HD2      TYR   5  15.940 -10.377   9.171
   39    HE1  TYR   5           HE1      TYR   5  16.351  -7.880  13.439
   40    HE2  TYR   5           HE2      TYR   5  17.956 -10.663  10.587
   41    HH   TYR   5           HH       TYR   5  18.121  -9.507  13.808
   42    H    TYR   6           H        TYR   6  12.876  -8.274   6.436
   43    HA   TYR   6           HA       TYR   6  15.234  -9.602   5.312
   44   1HB   TYR   6          1HB       TYR   6  12.672 -10.138   4.986
   45   2HB   TYR   6          2HB       TYR   6  12.809  -8.958   3.682
   46    HD1  TYR   6           HD1      TYR   6  14.739 -11.883   5.057
   47    HD2  TYR   6           HD2      TYR   6  13.362  -9.769   1.579
   48    HE1  TYR   6           HE1      TYR   6  15.757 -13.614   3.600
   49    HE2  TYR   6           HE2      TYR   6  14.383 -11.499   0.124
   50    HH   TYR   6           HH       TYR   6  15.009 -13.983   0.391
   51    H    LEU   7           H        LEU   7  13.173  -6.961   4.084
   52    HA   LEU   7           HA       LEU   7  15.129  -6.066   2.164
   53   1HB   LEU   7          1HB       LEU   7  12.480  -5.177   3.137
   54   2HB   LEU   7          2HB       LEU   7  13.514  -3.890   2.517
   55    HG   LEU   7           HG       LEU   7  13.152  -6.448   0.965
   56   1HD1  LEU   7          1HD1      LEU   7  10.935  -5.204   1.623
   57   2HD1  LEU   7          2HD1      LEU   7  11.471  -4.007   0.443
   58   3HD1  LEU   7          3HD1      LEU   7  11.192  -5.676  -0.057
   59   1HD2  LEU   7          1HD2      LEU   7  14.952  -4.809   0.374
   60   2HD2  LEU   7          2HD2      LEU   7  13.760  -5.007  -0.910
   61   3HD2  LEU   7          3HD2      LEU   7  13.708  -3.582   0.129
   62    H    SER   8           H        SER   8  15.038  -5.691   5.540
   63    HA   SER   8           HA       SER   8  16.229  -3.032   5.640
   64   1HB   SER   8          1HB       SER   8  16.523  -3.587   8.072
   65   2HB   SER   8          2HB       SER   8  14.859  -3.738   7.512
   66    HG   SER   8           HG       SER   8  16.456  -5.596   8.584
   67    H    ASP   9           H        ASP   9  17.311  -6.368   5.595
   68    HA   ASP   9           HA       ASP   9  20.004  -5.894   6.484
   69   1HB   ASP   9          1HB       ASP   9  18.901  -8.085   4.698
   70   2HB   ASP   9          2HB       ASP   9  20.473  -8.112   5.498
   71    H    ILE  10           H        ILE  10  18.474  -5.920   3.275
   72    HA   ILE  10           HA       ILE  10  20.955  -5.554   1.824
   73    HB   ILE  10           HB       ILE  10  18.120  -4.883   0.964
   74   1HG1  ILE  10          1HG1      ILE  10  19.591  -7.388   0.207
   75   2HG1  ILE  10          2HG1      ILE  10  18.786  -7.311   1.774
   76   1HG2  ILE  10          1HG2      ILE  10  20.021  -3.926  -0.401
   77   2HG2  ILE  10          2HG2      ILE  10  20.553  -5.580  -0.705
   78   3HG2  ILE  10          3HG2      ILE  10  18.979  -5.037  -1.289
   79   1HD1  ILE  10          1HD1      ILE  10  16.678  -6.646   0.620
   80   2HD1  ILE  10          2HD1      ILE  10  17.496  -6.840  -0.930
   81   3HD1  ILE  10          3HD1      ILE  10  17.247  -8.237   0.117
   82    H    THR  11           H        THR  11  18.414  -3.334   2.981
   83    HA   THR  11           HA       THR  11  19.481  -0.948   1.833
   84    HB   THR  11           HB       THR  11  18.301   0.060   3.987
   85    HG1  THR  11           HG1      THR  11  17.969  -1.694   5.190
   86   1HG2  THR  11          1HG2      THR  11  17.223  -1.157   1.500
   87   2HG2  THR  11          2HG2      THR  11  16.047  -0.709   2.736
   88   3HG2  THR  11          3HG2      THR  11  17.133   0.510   2.067
   89    H    ASP  12           H        ASP  12  20.283  -2.706   4.782
   90    HA   ASP  12           HA       ASP  12  21.942  -0.638   5.928
   91   1HB   ASP  12          1HB       ASP  12  21.448  -3.535   6.416
   92   2HB   ASP  12          2HB       ASP  12  22.978  -2.884   7.004
   93    H    VAL  13           H        VAL  13  22.471  -3.280   3.661
   94    HA   VAL  13           HA       VAL  13  25.347  -3.092   3.615
   95    HB   VAL  13           HB       VAL  13  23.482  -4.092   1.458
   96   1HG1  VAL  13          1HG1      VAL  13  26.445  -4.277   1.949
   97   2HG1  VAL  13          2HG1      VAL  13  25.615  -5.562   1.070
   98   3HG1  VAL  13          3HG1      VAL  13  25.594  -3.912   0.447
   99   1HG2  VAL  13          1HG2      VAL  13  23.429  -5.081   3.898
  100   2HG2  VAL  13          2HG2      VAL  13  23.464  -6.171   2.514
  101   3HG2  VAL  13          3HG2      VAL  13  24.944  -5.835   3.412
  102    H    ILE  14           H        ILE  14  22.758  -1.336   2.035
  103    HA   ILE  14           HA       ILE  14  24.447  -0.108   0.012
  104    HB   ILE  14           HB       ILE  14  21.750   0.770   1.098
  105   1HG1  ILE  14          1HG1      ILE  14  21.705  -1.515   0.158
  106   2HG1  ILE  14          2HG1      ILE  14  20.822  -0.390  -0.871
  107   1HG2  ILE  14          1HG2      ILE  14  23.127   2.492  -0.166
  108   2HG2  ILE  14          2HG2      ILE  14  23.027   1.429  -1.570
  109   3HG2  ILE  14          3HG2      ILE  14  21.558   2.121  -0.881
  110   1HD1  ILE  14          1HD1      ILE  14  22.987  -0.156  -2.222
  111   2HD1  ILE  14          2HD1      ILE  14  23.579  -1.553  -1.325
  112   3HD1  ILE  14          3HD1      ILE  14  22.153  -1.705  -2.353
  113    H    PHE  15           H        PHE  15  23.428   0.679   3.291
  114    HA   PHE  15           HA       PHE  15  24.382   3.403   3.288
  115   1HB   PHE  15          1HB       PHE  15  22.775   2.301   4.970
  116   2HB   PHE  15          2HB       PHE  15  24.217   1.619   5.724
  117    HD1  PHE  15           HD1      PHE  15  22.758   4.872   4.576
  118    HD2  PHE  15           HD2      PHE  15  25.455   2.886   7.266
  119    HE1  PHE  15           HE1      PHE  15  23.163   7.016   5.754
  120    HE2  PHE  15           HE2      PHE  15  25.861   5.031   8.443
  121    HZ   PHE  15           HZ       PHE  15  24.715   7.096   7.686
  122    H    ILE  16           H        ILE  16  25.836   0.293   4.204
  123    HA   ILE  16           HA       ILE  16  28.326   1.449   5.147
  124    HB   ILE  16           HB       ILE  16  27.758  -1.372   4.172
  125   1HG1  ILE  16          1HG1      ILE  16  27.849  -0.570   7.060
  126   2HG1  ILE  16          2HG1      ILE  16  26.373  -0.267   6.143
  127   1HG2  ILE  16          1HG2      ILE  16  30.046  -0.042   5.571
  128   2HG2  ILE  16          2HG2      ILE  16  29.640  -1.697   6.025
  129   3HG2  ILE  16          3HG2      ILE  16  30.064  -1.320   4.355
  130   1HD1  ILE  16          1HD1      ILE  16  27.767  -2.948   6.390
  131   2HD1  ILE  16          2HD1      ILE  16  26.294  -2.479   7.239
  132   3HD1  ILE  16          3HD1      ILE  16  26.287  -2.639   5.483
  133    H    TYR  17           H        TYR  17  27.133   0.292   2.043
  134    HA   TYR  17           HA       TYR  17  29.631   0.137   0.665
  135   1HB   TYR  17          1HB       TYR  17  27.149  -0.515  -0.050
  136   2HB   TYR  17          2HB       TYR  17  27.184   1.095  -0.771
  137    HD1  TYR  17           HD1      TYR  17  29.138   1.683  -2.326
  138    HD2  TYR  17           HD2      TYR  17  28.231  -2.336  -1.107
  139    HE1  TYR  17           HE1      TYR  17  30.463   0.806  -4.231
  140    HE2  TYR  17           HE2      TYR  17  29.557  -3.212  -3.012
  141    HH   TYR  17           HH       TYR  17  30.250  -2.293  -5.342
  142    H    PHE  18           H        PHE  18  27.305   2.807   1.021
  143    HA   PHE  18           HA       PHE  18  28.785   4.728  -0.516
  144   1HB   PHE  18          1HB       PHE  18  26.331   4.769   0.409
  145   2HB   PHE  18          2HB       PHE  18  27.075   5.495   1.828
  146    HD1  PHE  18           HD1      PHE  18  28.422   7.594   1.604
  147    HD2  PHE  18           HD2      PHE  18  26.073   6.022  -1.632
  148    HE1  PHE  18           HE1      PHE  18  28.532   9.790   0.459
  149    HE2  PHE  18           HE2      PHE  18  26.183   8.221  -2.777
  150    HZ   PHE  18           HZ       PHE  18  27.412  10.104  -1.731
  151    H    ALA  19           H        ALA  19  28.808   3.794   2.870
  152    HA   ALA  19           HA       ALA  19  30.361   5.867   3.995
  153   1HB   ALA  19          1HB       ALA  19  30.404   2.903   4.644
  154   2HB   ALA  19          2HB       ALA  19  31.017   4.182   5.693
  155   3HB   ALA  19          3HB       ALA  19  29.294   4.092   5.326
  156    H    ALA  20           H        ALA  20  31.531   2.746   2.740
  157    HA   ALA  20           HA       ALA  20  34.316   3.280   2.971
  158   1HB   ALA  20          1HB       ALA  20  33.068   1.075   2.426
  159   2HB   ALA  20          2HB       ALA  20  33.123   1.629   0.752
  160   3HB   ALA  20          3HB       ALA  20  34.622   1.355   1.640
  161    H    LEU  21           H        LEU  21  32.121   3.688   0.236
  162    HA   LEU  21           HA       LEU  21  34.130   4.734  -1.556
  163   1HB   LEU  21          1HB       LEU  21  31.375   3.986  -1.673
  164   2HB   LEU  21          2HB       LEU  21  31.512   5.614  -2.327
  165    HG   LEU  21           HG       LEU  21  31.798   3.920  -4.096
  166   1HD1  LEU  21          1HD1      LEU  21  34.351   5.403  -3.395
  167   2HD1  LEU  21          2HD1      LEU  21  33.980   4.716  -4.975
  168   3HD1  LEU  21          3HD1      LEU  21  33.000   6.035  -4.336
  169   1HD2  LEU  21          1HD2      LEU  21  33.042   2.410  -2.202
  170   2HD2  LEU  21          2HD2      LEU  21  33.205   2.126  -3.935
  171   3HD2  LEU  21          3HD2      LEU  21  34.440   3.043  -3.073
  172    H    SER  22           H        SER  22  32.529   6.214   1.075
  173    HA   SER  22           HA       SER  22  32.176   8.866   0.048
  174   1HB   SER  22          1HB       SER  22  31.945   7.539   2.589
  175   2HB   SER  22          2HB       SER  22  32.829   9.047   2.808
  176    HG   SER  22           HG       SER  22  30.741   9.646   2.876
  177    HA   PRO  23           HA       PRO  23  36.566   9.877   1.892
  178   1HB   PRO  23          1HB       PRO  23  38.075   7.786   2.790
  179   2HB   PRO  23          2HB       PRO  23  36.984   8.716   3.814
  180   1HG   PRO  23          1HG       PRO  23  36.610   6.019   2.649
  181   2HG   PRO  23          2HG       PRO  23  36.058   6.667   4.203
  182   1HD   PRO  23          1HD       PRO  23  34.433   6.378   2.003
  183   2HD   PRO  23          2HD       PRO  23  34.137   7.529   3.311
  184    H    ALA  24           H        ALA  24  36.819   6.528   0.751
  185    HA   ALA  24           HA       ALA  24  39.145   6.634  -0.757
  186   1HB   ALA  24          1HB       ALA  24  37.330   4.725  -0.411
  187   2HB   ALA  24          2HB       ALA  24  36.813   5.253  -2.012
  188   3HB   ALA  24          3HB       ALA  24  38.460   4.675  -1.765
  189    H    ILE  25           H        ILE  25  36.060   8.075  -1.606
  190    HA   ILE  25           HA       ILE  25  36.521   8.480  -4.394
  191    HB   ILE  25           HB       ILE  25  34.708   9.603  -2.306
  192   1HG1  ILE  25          1HG1      ILE  25  34.106   7.682  -3.731
  193   2HG1  ILE  25          2HG1      ILE  25  33.014   9.039  -3.998
  194   1HG2  ILE  25          1HG2      ILE  25  35.502  11.704  -3.351
  195   2HG2  ILE  25          2HG2      ILE  25  35.099  11.061  -4.944
  196   3HG2  ILE  25          3HG2      ILE  25  33.820  11.377  -3.770
  197   1HD1  ILE  25          1HD1      ILE  25  35.279   9.249  -5.783
  198   2HD1  ILE  25          2HD1      ILE  25  34.541   7.655  -5.940
  199   3HD1  ILE  25          3HD1      ILE  25  33.567   9.105  -6.183
  200    H    THR  26           H        THR  26  37.080  10.720  -1.651
  201    HA   THR  26           HA       THR  26  38.635  12.522  -3.358
  202    HB   THR  26           HB       THR  26  38.398  12.605  -0.345
  203    HG1  THR  26           HG1      THR  26  36.677  13.784  -2.261
  204   1HG2  THR  26          1HG2      THR  26  39.340  14.414  -2.496
  205   2HG2  THR  26          2HG2      THR  26  38.362  15.165  -1.235
  206   3HG2  THR  26          3HG2      THR  26  39.843  14.309  -0.809
  207    H    PHE  27           H        PHE  27  39.440  10.877  -0.278
  208    HA   PHE  27           HA       PHE  27  42.254  11.174  -0.561
  209   1HB   PHE  27          1HB       PHE  27  40.510   9.334   1.066
  210   2HB   PHE  27          2HB       PHE  27  42.262   9.132   1.070
  211    HD1  PHE  27           HD1      PHE  27  39.676  11.838   1.411
  212    HD2  PHE  27           HD2      PHE  27  43.524  10.351   2.607
  213    HE1  PHE  27           HE1      PHE  27  39.889  13.699   3.030
  214    HE2  PHE  27           HE2      PHE  27  43.736  12.215   4.230
  215    HZ   PHE  27           HZ       PHE  27  41.918  13.887   4.442
  216    H    GLY  28           H        GLY  28  40.995   7.850  -0.454
  217   1HA   GLY  28          1HA       GLY  28  41.612   5.971  -1.717
  218   2HA   GLY  28          2HA       GLY  28  41.372   7.030  -3.104
  219    H    GLY  29           H        GLY  29  43.135   7.547  -4.298
  220   1HA   GLY  29          1HA       GLY  29  45.730   8.134  -3.520
  221   2HA   GLY  29          2HA       GLY  29  45.715   6.375  -3.660
  222    H    LEU  30           H        LEU  30  44.536   5.626  -5.785
  223    HA   LEU  30           HA       LEU  30  45.906   6.976  -8.017
  224   1HB   LEU  30          1HB       LEU  30  44.199   4.469  -7.913
  225   2HB   LEU  30          2HB       LEU  30  45.044   5.050  -9.348
  226    HG   LEU  30           HG       LEU  30  46.596   4.683  -6.811
  227   1HD1  LEU  30          1HD1      LEU  30  45.067   2.608  -7.630
  228   2HD1  LEU  30          2HD1      LEU  30  46.463   2.375  -8.681
  229   3HD1  LEU  30          3HD1      LEU  30  46.671   2.394  -6.929
  230   1HD2  LEU  30          1HD2      LEU  30  47.398   5.683  -9.088
  231   2HD2  LEU  30          2HD2      LEU  30  48.426   4.502  -8.278
  232   3HD2  LEU  30          3HD2      LEU  30  47.412   4.005  -9.632
  233    H    LEU  31           H        LEU  31  44.406   6.967 -10.142
  234    HA   LEU  31           HA       LEU  31  42.140   8.735  -9.459
  235   1HB   LEU  31          1HB       LEU  31  44.035   8.807 -11.462
  236   2HB   LEU  31          2HB       LEU  31  42.630   8.158 -12.307
  237    HG   LEU  31           HG       LEU  31  41.401  10.117 -10.952
  238   1HD1  LEU  31          1HD1      LEU  31  43.784  10.668 -10.006
  239   2HD1  LEU  31          2HD1      LEU  31  44.031  11.439 -11.573
  240   3HD1  LEU  31          3HD1      LEU  31  42.733  11.990 -10.513
  241   1HD2  LEU  31          1HD2      LEU  31  42.796  10.013 -13.590
  242   2HD2  LEU  31          2HD2      LEU  31  41.081  10.225 -13.234
  243   3HD2  LEU  31          3HD2      LEU  31  42.193  11.584 -13.060
  244    H    GLY  32           H        GLY  32  42.678   5.845 -11.515
  245   1HA   GLY  32          1HA       GLY  32  39.826   5.108 -10.992
  246   2HA   GLY  32          2HA       GLY  32  40.513   4.977 -12.612
  247    H    GLU  33           H        GLU  33  40.121   3.409  -9.595
  248    HA   GLU  33           HA       GLU  33  42.324   1.557  -9.731
  249   1HB   GLU  33          1HB       GLU  33  39.737   1.714  -8.240
  250   2HB   GLU  33          2HB       GLU  33  40.562   0.156  -8.305
  251   1HG   GLU  33          1HG       GLU  33  42.148   2.607  -7.617
  252   2HG   GLU  33          2HG       GLU  33  41.127   1.874  -6.379
  253    H    LYS  34           H        LYS  34  38.890   1.286 -10.707
  254    HA   LYS  34           HA       LYS  34  39.336  -1.330 -11.934
  255   1HB   LYS  34          1HB       LYS  34  36.946   0.518 -12.196
  256   2HB   LYS  34          2HB       LYS  34  36.992  -1.203 -12.579
  257   1HG   LYS  34          1HG       LYS  34  37.864  -1.336 -10.046
  258   2HG   LYS  34          2HG       LYS  34  36.915   0.146  -9.921
  259   1HD   LYS  34          1HD       LYS  34  34.912  -0.935 -10.486
  260   2HD   LYS  34          2HD       LYS  34  35.746  -2.285 -11.256
  261   1HE   LYS  34          1HE       LYS  34  36.553  -3.060  -9.068
  262   2HE   LYS  34          2HE       LYS  34  35.767  -1.692  -8.282
  263   1HZ   LYS  34          1HZ       LYS  34  33.637  -2.497  -9.138
  264   2HZ   LYS  34          2HZ       LYS  34  34.416  -3.846  -9.815
  265   3HZ   LYS  34          3HZ       LYS  34  34.383  -3.643  -8.131
  Start of MODEL   12
    1   1H    ACE   1          HA1       ACE   1   2.494  -4.324   0.071
    2   2H    ACE   1          HA2       ACE   1   0.865  -4.972  -0.125
    3   3H    ACE   1          HA3       ACE   1   1.105  -3.414   0.666
    4    H    ARG   2           H        ARG   2   3.079  -2.439  -1.213
    5    HA   ARG   2           HA       ARG   2   1.492  -2.250  -3.720
    6   1HB   ARG   2          1HB       ARG   2   1.580  -0.229  -1.874
    7   2HB   ARG   2          2HB       ARG   2   2.937   0.198  -2.915
    8   1HG   ARG   2          1HG       ARG   2   1.588   0.708  -4.681
    9   2HG   ARG   2          2HG       ARG   2   0.490  -0.634  -4.355
   10   1HD   ARG   2          1HD       ARG   2  -0.662   1.501  -3.990
   11   2HD   ARG   2          2HD       ARG   2  -0.482   0.642  -2.461
   12    HE   ARG   2           HE       ARG   2   1.589   2.652  -3.137
   13   1HH1  ARG   2          1HH1      ARG   2  -1.523   3.072  -2.240
   14   2HH1  ARG   2          2HH1      ARG   2  -1.215   3.679  -0.647
   15   1HH2  ARG   2          1HH2      ARG   2   2.150   2.844  -0.693
   16   2HH2  ARG   2          2HH2      ARG   2   0.864   3.548   0.230
   17    H    TYR   3           H        TYR   3   4.606  -1.250  -2.296
   18    HA   TYR   3           HA       TYR   3   6.005  -2.564  -4.539
   19   1HB   TYR   3          1HB       TYR   3   5.529   0.191  -4.570
   20   2HB   TYR   3          2HB       TYR   3   7.179   0.060  -3.969
   21    HD1  TYR   3           HD1      TYR   3   5.143  -1.853  -6.487
   22    HD2  TYR   3           HD2      TYR   3   8.743   0.343  -5.671
   23    HE1  TYR   3           HE1      TYR   3   5.944  -2.316  -8.786
   24    HE2  TYR   3           HE2      TYR   3   9.544  -0.121  -7.974
   25    HH   TYR   3           HH       TYR   3   7.759  -0.940 -10.413
   26    HA   PRO   4           HA       PRO   4   8.089  -3.213  -0.415
   27   1HB   PRO   4          1HB       PRO   4   8.052  -5.929  -0.512
   28   2HB   PRO   4          2HB       PRO   4   6.720  -4.969   0.118
   29   1HG   PRO   4          1HG       PRO   4   6.908  -6.450  -2.410
   30   2HG   PRO   4          2HG       PRO   4   5.479  -6.011  -1.462
   31   1HD   PRO   4          1HD       PRO   4   6.409  -4.721  -3.797
   32   2HD   PRO   4          2HD       PRO   4   5.135  -4.152  -2.706
   33    H    TYR   5           H        TYR   5   8.465  -5.306  -3.236
   34    HA   TYR   5           HA       TYR   5  11.106  -6.156  -2.920
   35   1HB   TYR   5          1HB       TYR   5   9.508  -6.845  -4.746
   36   2HB   TYR   5          2HB       TYR   5   9.911  -5.345  -5.581
   37    HD1  TYR   5           HD1      TYR   5  11.818  -8.012  -3.746
   38    HD2  TYR   5           HD2      TYR   5  11.469  -5.605  -7.287
   39    HE1  TYR   5           HE1      TYR   5  13.856  -9.080  -4.672
   40    HE2  TYR   5           HE2      TYR   5  13.508  -6.672  -8.214
   41    HH   TYR   5           HH       TYR   5  15.638  -7.871  -7.066
   42    H    TYR   6           H        TYR   6  10.038  -2.931  -3.774
   43    HA   TYR   6           HA       TYR   6  12.580  -2.078  -4.897
   44   1HB   TYR   6          1HB       TYR   6  10.142  -1.047  -5.110
   45   2HB   TYR   6          2HB       TYR   6  10.661  -0.127  -3.697
   46    HD1  TYR   6           HD1      TYR   6  11.524  -0.969  -7.214
   47    HD2  TYR   6           HD2      TYR   6  12.251   1.640  -3.881
   48    HE1  TYR   6           HE1      TYR   6  12.851   0.530  -8.677
   49    HE2  TYR   6           HE2      TYR   6  13.577   3.140  -5.343
   50    HH   TYR   6           HH       TYR   6  13.655   3.642  -7.869
   51    H    LEU   7           H        LEU   7  11.036  -1.832  -1.723
   52    HA   LEU   7           HA       LEU   7  12.861  -0.113  -0.441
   53   1HB   LEU   7          1HB       LEU   7  10.879  -2.130   0.385
   54   2HB   LEU   7          2HB       LEU   7  12.178  -1.892   1.553
   55    HG   LEU   7           HG       LEU   7  11.671   0.681   1.008
   56   1HD1  LEU   7          1HD1      LEU   7   9.237  -0.864   0.188
   57   2HD1  LEU   7          2HD1      LEU   7   9.021   0.685   1.003
   58   3HD1  LEU   7          3HD1      LEU   7   9.917   0.604  -0.514
   59   1HD2  LEU   7          1HD2      LEU   7  11.373  -0.911   3.155
   60   2HD2  LEU   7          2HD2      LEU   7  10.771   0.746   3.129
   61   3HD2  LEU   7          3HD2      LEU   7   9.671  -0.596   2.816
   62    H    SER   8           H        SER   8  12.960  -3.703  -0.435
   63    HA   SER   8           HA       SER   8  15.400  -3.967   0.973
   64   1HB   SER   8          1HB       SER   8  14.057  -5.739  -1.066
   65   2HB   SER   8          2HB       SER   8  15.548  -6.206  -0.252
   66    HG   SER   8           HG       SER   8  14.377  -6.706   1.407
   67    H    ASP   9           H        ASP   9  14.898  -2.953  -2.314
   68    HA   ASP   9           HA       ASP   9  17.416  -3.797  -3.404
   69   1HB   ASP   9          1HB       ASP   9  15.511  -1.579  -4.165
   70   2HB   ASP   9          2HB       ASP   9  16.989  -1.909  -5.066
   71    H    ILE  10           H        ILE  10  16.438  -0.530  -2.280
   72    HA   ILE  10           HA       ILE  10  19.033   0.605  -2.466
   73    HB   ILE  10           HB       ILE  10  16.795   1.786  -2.155
   74   1HG1  ILE  10          1HG1      ILE  10  18.704   2.942  -0.188
   75   2HG1  ILE  10          2HG1      ILE  10  19.312   2.644  -1.817
   76   1HG2  ILE  10          1HG2      ILE  10  16.064   0.555  -0.133
   77   2HG2  ILE  10          2HG2      ILE  10  17.373   1.311   0.774
   78   3HG2  ILE  10          3HG2      ILE  10  16.073   2.302   0.112
   79   1HD1  ILE  10          1HD1      ILE  10  17.418   3.931  -2.755
   80   2HD1  ILE  10          2HD1      ILE  10  16.838   4.251  -1.120
   81   3HD1  ILE  10          3HD1      ILE  10  18.382   4.915  -1.654
   82    H    THR  11           H        THR  11  17.410  -0.913   0.296
   83    HA   THR  11           HA       THR  11  19.458  -0.502   2.228
   84    HB   THR  11           HB       THR  11  17.832  -3.037   2.163
   85    HG1  THR  11           HG1      THR  11  16.170  -1.689   3.142
   86   1HG2  THR  11          1HG2      THR  11  19.302  -1.423   4.127
   87   2HG2  THR  11          2HG2      THR  11  17.671  -1.842   4.652
   88   3HG2  THR  11          3HG2      THR  11  18.806  -3.114   4.206
   89    H    ASP  12           H        ASP  12  19.135  -2.960  -0.291
   90    HA   ASP  12           HA       ASP  12  21.307  -4.621   0.649
   91   1HB   ASP  12          1HB       ASP  12  19.377  -4.954  -1.231
   92   2HB   ASP  12          2HB       ASP  12  20.744  -4.541  -2.264
   93    H    VAL  13           H        VAL  13  21.052  -1.867  -1.535
   94    HA   VAL  13           HA       VAL  13  23.758  -1.991  -2.513
   95    HB   VAL  13           HB       VAL  13  21.935   0.406  -2.299
   96   1HG1  VAL  13          1HG1      VAL  13  24.378   0.845  -2.752
   97   2HG1  VAL  13          2HG1      VAL  13  24.222  -0.133  -4.211
   98   3HG1  VAL  13          3HG1      VAL  13  23.302   1.363  -4.050
   99   1HG2  VAL  13          1HG2      VAL  13  22.059  -1.915  -4.165
  100   2HG2  VAL  13          2HG2      VAL  13  20.667  -0.963  -3.650
  101   3HG2  VAL  13          3HG2      VAL  13  21.765  -0.327  -4.874
  102    H    ILE  14           H        ILE  14  22.345  -0.802   0.448
  103    HA   ILE  14           HA       ILE  14  24.654   0.881   1.108
  104    HB   ILE  14           HB       ILE  14  22.299   0.002   2.816
  105   1HG1  ILE  14          1HG1      ILE  14  22.810   2.618   1.363
  106   2HG1  ILE  14          2HG1      ILE  14  21.720   1.356   0.788
  107   1HG2  ILE  14          1HG2      ILE  14  24.655   1.798   3.275
  108   2HG2  ILE  14          2HG2      ILE  14  23.103   2.273   3.962
  109   3HG2  ILE  14          3HG2      ILE  14  23.828   0.728   4.406
  110   1HD1  ILE  14          1HD1      ILE  14  21.420   2.490   3.564
  111   2HD1  ILE  14          2HD1      ILE  14  20.712   3.314   2.175
  112   3HD1  ILE  14          3HD1      ILE  14  20.215   1.670   2.571
  113    H    PHE  15           H        PHE  15  23.565  -2.396   1.776
  114    HA   PHE  15           HA       PHE  15  25.421  -2.866   3.962
  115   1HB   PHE  15          1HB       PHE  15  23.278  -4.188   3.404
  116   2HB   PHE  15          2HB       PHE  15  24.249  -5.000   2.176
  117    HD1  PHE  15           HD1      PHE  15  26.207  -6.378   2.816
  118    HD2  PHE  15           HD2      PHE  15  23.640  -4.593   5.764
  119    HE1  PHE  15           HE1      PHE  15  27.155  -7.876   4.551
  120    HE2  PHE  15           HE2      PHE  15  24.588  -6.091   7.496
  121    HZ   PHE  15           HZ       PHE  15  26.345  -7.732   6.891
  122    H    ILE  16           H        ILE  16  25.443  -3.536   0.475
  123    HA   ILE  16           HA       ILE  16  28.017  -4.874   0.528
  124    HB   ILE  16           HB       ILE  16  26.617  -3.587  -1.832
  125   1HG1  ILE  16          1HG1      ILE  16  25.084  -5.130  -0.673
  126   2HG1  ILE  16          2HG1      ILE  16  25.605  -5.818  -2.209
  127   1HG2  ILE  16          1HG2      ILE  16  28.634  -5.842  -1.620
  128   2HG2  ILE  16          2HG2      ILE  16  27.858  -5.309  -3.112
  129   3HG2  ILE  16          3HG2      ILE  16  28.947  -4.224  -2.247
  130   1HD1  ILE  16          1HD1      ILE  16  27.539  -6.747  -0.480
  131   2HD1  ILE  16          2HD1      ILE  16  26.096  -6.768   0.533
  132   3HD1  ILE  16          3HD1      ILE  16  26.117  -7.661  -0.987
  133    H    TYR  17           H        TYR  17  26.965  -1.538   0.155
  134    HA   TYR  17           HA       TYR  17  29.374  -0.503  -1.001
  135   1HB   TYR  17          1HB       TYR  17  26.933   0.569  -0.290
  136   2HB   TYR  17          2HB       TYR  17  28.008   1.293   0.903
  137    HD1  TYR  17           HD1      TYR  17  30.208   2.348   0.023
  138    HD2  TYR  17           HD2      TYR  17  26.840   1.425  -2.476
  139    HE1  TYR  17           HE1      TYR  17  31.058   3.915  -1.701
  140    HE2  TYR  17           HE2      TYR  17  27.689   2.993  -4.200
  141    HH   TYR  17           HH       TYR  17  30.595   3.974  -4.511
  142    H    PHE  18           H        PHE  18  28.306  -0.453   2.417
  143    HA   PHE  18           HA       PHE  18  30.757   0.501   3.497
  144   1HB   PHE  18          1HB       PHE  18  28.407  -1.006   4.582
  145   2HB   PHE  18          2HB       PHE  18  29.850  -0.844   5.583
  146    HD1  PHE  18           HD1      PHE  18  30.824   1.519   5.913
  147    HD2  PHE  18           HD2      PHE  18  26.889   0.776   4.363
  148    HE1  PHE  18           HE1      PHE  18  30.174   3.853   6.444
  149    HE2  PHE  18           HE2      PHE  18  26.237   3.107   4.896
  150    HZ   PHE  18           HZ       PHE  18  27.880   4.647   5.935
  151    H    ALA  19           H        ALA  19  29.743  -2.715   2.555
  152    HA   ALA  19           HA       ALA  19  31.711  -4.261   3.910
  153   1HB   ALA  19          1HB       ALA  19  30.097  -4.617   1.402
  154   2HB   ALA  19          2HB       ALA  19  31.383  -5.767   1.770
  155   3HB   ALA  19          3HB       ALA  19  30.046  -5.546   2.900
  156    H    ALA  20           H        ALA  20  31.772  -3.121   0.519
  157    HA   ALA  20           HA       ALA  20  34.424  -3.890  -0.074
  158   1HB   ALA  20          1HB       ALA  20  32.491  -2.880  -1.559
  159   2HB   ALA  20          2HB       ALA  20  33.312  -1.358  -1.215
  160   3HB   ALA  20          3HB       ALA  20  34.178  -2.663  -2.025
  161    H    LEU  21           H        LEU  21  33.283  -0.669   0.918
  162    HA   LEU  21           HA       LEU  21  36.001   0.346   1.251
  163   1HB   LEU  21          1HB       LEU  21  33.237   1.377   1.499
  164   2HB   LEU  21          2HB       LEU  21  34.466   2.204   2.456
  165    HG   LEU  21           HG       LEU  21  35.857   2.438   0.384
  166   1HD1  LEU  21          1HD1      LEU  21  33.357   1.310  -0.915
  167   2HD1  LEU  21          2HD1      LEU  21  34.698   2.043  -1.795
  168   3HD1  LEU  21          3HD1      LEU  21  34.951   0.556  -0.882
  169   1HD2  LEU  21          1HD2      LEU  21  33.831   4.015   1.243
  170   2HD2  LEU  21          2HD2      LEU  21  34.803   4.404  -0.177
  171   3HD2  LEU  21          3HD2      LEU  21  33.232   3.626  -0.369
  172    H    SER  22           H        SER  22  34.273  -1.704   3.184
  173    HA   SER  22           HA       SER  22  34.313  -0.708   5.778
  174   1HB   SER  22          1HB       SER  22  33.389  -2.870   5.413
  175   2HB   SER  22          2HB       SER  22  34.904  -3.495   4.778
  176    HG   SER  22           HG       SER  22  35.756  -3.496   6.784
  177    HA   PRO  23           HA       PRO  23  38.981  -1.902   6.330
  178   1HB   PRO  23          1HB       PRO  23  40.463  -2.410   4.102
  179   2HB   PRO  23          2HB       PRO  23  39.591  -3.654   4.991
  180   1HG   PRO  23          1HG       PRO  23  38.952  -2.426   2.394
  181   2HG   PRO  23          2HG       PRO  23  38.551  -4.038   3.012
  182   1HD   PRO  23          1HD       PRO  23  36.824  -1.835   2.887
  183   2HD   PRO  23          2HD       PRO  23  36.541  -3.333   3.775
  184    H    ALA  24           H        ALA  24  38.835  -0.527   3.061
  185    HA   ALA  24           HA       ALA  24  40.902   1.330   3.196
  186   1HB   ALA  24          1HB       ALA  24  38.211   1.679   1.851
  187   2HB   ALA  24          2HB       ALA  24  39.637   2.663   1.518
  188   3HB   ALA  24          3HB       ALA  24  39.648   0.939   1.145
  189    H    ILE  25           H        ILE  25  37.757   1.594   4.722
  190    HA   ILE  25           HA       ILE  25  38.114   4.430   5.386
  191    HB   ILE  25           HB       ILE  25  36.036   2.386   6.251
  192   1HG1  ILE  25          1HG1      ILE  25  36.047   2.989   3.834
  193   2HG1  ILE  25          2HG1      ILE  25  34.588   3.546   4.649
  194   1HG2  ILE  25          1HG2      ILE  25  36.140   5.393   6.696
  195   2HG2  ILE  25          2HG2      ILE  25  34.739   4.374   7.027
  196   3HG2  ILE  25          3HG2      ILE  25  36.228   4.149   7.944
  197   1HD1  ILE  25          1HD1      ILE  25  36.439   5.654   4.919
  198   2HD1  ILE  25          2HD1      ILE  25  36.615   5.087   3.258
  199   3HD1  ILE  25          3HD1      ILE  25  35.038   5.605   3.850
  200    H    THR  26           H        THR  26  38.342   1.286   7.019
  201    HA   THR  26           HA       THR  26  38.749   2.246   9.668
  202    HB   THR  26           HB       THR  26  40.122  -0.202   8.560
  203    HG1  THR  26           HG1      THR  26  37.390   0.200   9.193
  204   1HG2  THR  26          1HG2      THR  26  40.429   0.575  10.959
  205   2HG2  THR  26          2HG2      THR  26  38.710   0.262  11.195
  206   3HG2  THR  26          3HG2      THR  26  39.798  -1.061  10.776
  207    H    PHE  27           H        PHE  27  40.928   2.044   6.923
  208    HA   PHE  27           HA       PHE  27  43.404   2.262   8.332
  209   1HB   PHE  27          1HB       PHE  27  42.476   2.526   5.572
  210   2HB   PHE  27          2HB       PHE  27  43.750   3.685   5.941
  211    HD1  PHE  27           HD1      PHE  27  42.940   0.072   6.619
  212    HD2  PHE  27           HD2      PHE  27  45.942   2.985   5.638
  213    HE1  PHE  27           HE1      PHE  27  44.640  -1.729   6.463
  214    HE2  PHE  27           HE2      PHE  27  47.639   1.186   5.483
  215    HZ   PHE  27           HZ       PHE  27  46.989  -1.172   5.895
  216    H    GLY  28           H        GLY  28  44.796   4.345   8.159
  217   1HA   GLY  28          1HA       GLY  28  43.382   6.457   9.573
  218   2HA   GLY  28          2HA       GLY  28  45.086   6.482   9.118
  219    H    GLY  29           H        GLY  29  45.635   7.875   7.516
  220   1HA   GLY  29          1HA       GLY  29  43.665   8.527   5.409
  221   2HA   GLY  29          2HA       GLY  29  44.287   9.865   6.372
  222    H    LEU  30           H        LEU  30  46.141   7.017   5.396
  223    HA   LEU  30           HA       LEU  30  48.188   8.758   4.212
  224   1HB   LEU  30          1HB       LEU  30  48.149   6.193   5.411
  225   2HB   LEU  30          2HB       LEU  30  48.625   5.928   3.735
  226    HG   LEU  30           HG       LEU  30  49.904   8.208   5.174
  227   1HD1  LEU  30          1HD1      LEU  30  50.224   5.316   5.876
  228   2HD1  LEU  30          2HD1      LEU  30  51.665   6.331   5.845
  229   3HD1  LEU  30          3HD1      LEU  30  50.323   6.738   6.914
  230   1HD2  LEU  30          1HD2      LEU  30  50.216   7.206   2.712
  231   2HD2  LEU  30          2HD2      LEU  30  51.574   7.887   3.607
  232   3HD2  LEU  30          3HD2      LEU  30  51.337   6.139   3.559
  233    H    LEU  31           H        LEU  31  46.178   6.030   3.052
  234    HA   LEU  31           HA       LEU  31  46.890   6.450   0.275
  235   1HB   LEU  31          1HB       LEU  31  45.980   4.299   1.379
  236   2HB   LEU  31          2HB       LEU  31  44.392   5.052   1.237
  237    HG   LEU  31           HG       LEU  31  45.069   5.456  -1.249
  238   1HD1  LEU  31          1HD1      LEU  31  47.120   3.497  -0.259
  239   2HD1  LEU  31          2HD1      LEU  31  46.534   3.373  -1.919
  240   3HD1  LEU  31          3HD1      LEU  31  47.320   4.854  -1.369
  241   1HD2  LEU  31          1HD2      LEU  31  44.179   2.929   0.089
  242   2HD2  LEU  31          2HD2      LEU  31  43.289   3.990  -1.002
  243   3HD2  LEU  31          3HD2      LEU  31  44.501   2.881  -1.644
  244    H    GLY  32           H        GLY  32  44.248   7.521   2.362
  245   1HA   GLY  32          1HA       GLY  32  42.864   9.422   2.047
  246   2HA   GLY  32          2HA       GLY  32  43.582   9.646   0.451
  247    H    GLU  33           H        GLU  33  40.870   9.920   0.630
  248    HA   GLU  33           HA       GLU  33  39.306   7.567   0.313
  249   1HB   GLU  33          1HB       GLU  33  37.684   9.045  -0.865
  250   2HB   GLU  33          2HB       GLU  33  38.260   9.743   0.646
  251   1HG   GLU  33          1HG       GLU  33  40.085  10.845  -0.910
  252   2HG   GLU  33          2HG       GLU  33  38.889  10.548  -2.171
  253    H    LYS  34           H        LYS  34  40.992   9.544  -2.106
  254    HA   LYS  34           HA       LYS  34  40.330   7.552  -4.192
  255   1HB   LYS  34          1HB       LYS  34  40.375  10.252  -4.346
  256   2HB   LYS  34          2HB       LYS  34  42.032   9.899  -4.841
  257   1HG   LYS  34          1HG       LYS  34  39.675   8.439  -6.038
  258   2HG   LYS  34          2HG       LYS  34  40.256   9.967  -6.703
  259   1HD   LYS  34          1HD       LYS  34  42.479   9.013  -7.048
  260   2HD   LYS  34          2HD       LYS  34  41.973   7.502  -6.292
  261   1HE   LYS  34          1HE       LYS  34  40.804   8.687  -8.828
  262   2HE   LYS  34          2HE       LYS  34  41.899   7.306  -8.745
  263   1HZ   LYS  34          1HZ       LYS  34  40.185   6.272  -7.233
  264   2HZ   LYS  34          2HZ       LYS  34  39.124   7.501  -7.733
  265   3HZ   LYS  34          3HZ       LYS  34  39.752   6.410  -8.871
  Start of MODEL   13
    1   1H    ACE   1          HA1       ACE   1   7.082   2.946   6.479
    2   2H    ACE   1          HA2       ACE   1   6.796   4.673   6.699
    3   3H    ACE   1          HA3       ACE   1   5.456   3.533   6.829
    4    H    ARG   2           H        ARG   2   7.363   1.652   8.304
    5    HA   ARG   2           HA       ARG   2   7.884   3.075  10.816
    6   1HB   ARG   2          1HB       ARG   2   5.449   1.523  10.369
    7   2HB   ARG   2          2HB       ARG   2   6.387   0.891  11.721
    8   1HG   ARG   2          1HG       ARG   2   6.533   3.282  12.583
    9   2HG   ARG   2          2HG       ARG   2   5.324   3.701  11.367
   10   1HD   ARG   2          1HD       ARG   2   4.940   1.495  13.403
   11   2HD   ARG   2          2HD       ARG   2   4.366   3.147  13.642
   12    HE   ARG   2           HE       ARG   2   3.004   2.775  11.514
   13   1HH1  ARG   2          1HH1      ARG   2   4.236   0.050  10.982
   14   2HH1  ARG   2          2HH1      ARG   2   2.990  -1.005  11.558
   15   1HH2  ARG   2          1HH2      ARG   2   1.349   1.480  13.339
   16   2HH2  ARG   2          2HH2      ARG   2   1.349  -0.193  12.890
   17    H    TYR   3           H        TYR   3   7.201  -0.380  10.418
   18    HA   TYR   3           HA       TYR   3  10.036  -0.902  11.079
   19   1HB   TYR   3          1HB       TYR   3   8.253  -1.905  12.531
   20   2HB   TYR   3          2HB       TYR   3   7.756  -2.889  11.157
   21    HD1  TYR   3           HD1      TYR   3  11.071  -1.869  12.602
   22    HD2  TYR   3           HD2      TYR   3   8.523  -5.078  11.312
   23    HE1  TYR   3           HE1      TYR   3  12.875  -3.497  13.093
   24    HE2  TYR   3           HE2      TYR   3  10.326  -6.706  11.804
   25    HH   TYR   3           HH       TYR   3  12.349  -6.819  13.286
   26    HA   PRO   4           HA       PRO   4   9.469  -3.587   7.155
   27   1HB   PRO   4          1HB       PRO   4   7.050  -3.672   5.904
   28   2HB   PRO   4          2HB       PRO   4   7.485  -4.721   7.256
   29   1HG   PRO   4          1HG       PRO   4   5.555  -2.552   7.181
   30   2HG   PRO   4          2HG       PRO   4   5.803  -3.782   8.430
   31   1HD   PRO   4          1HD       PRO   4   6.737  -1.019   8.379
   32   2HD   PRO   4          2HD       PRO   4   6.742  -2.172   9.719
   33    H    TYR   5           H        TYR   5   6.915  -1.318   6.193
   34    HA   TYR   5           HA       TYR   5   7.862  -0.671   3.660
   35   1HB   TYR   5          1HB       TYR   5   5.665   0.001   4.661
   36   2HB   TYR   5          2HB       TYR   5   6.509   1.277   5.537
   37    HD1  TYR   5           HD1      TYR   5   6.618  -0.077   2.029
   38    HD2  TYR   5           HD2      TYR   5   6.250   3.363   4.571
   39    HE1  TYR   5           HE1      TYR   5   6.481   1.387   0.031
   40    HE2  TYR   5           HE2      TYR   5   6.115   4.826   2.577
   41    HH   TYR   5           HH       TYR   5   5.348   4.438   0.070
   42    H    TYR   6           H        TYR   6   9.130   0.487   6.720
   43    HA   TYR   6           HA       TYR   6  10.657   2.630   5.396
   44   1HB   TYR   6          1HB       TYR   6   9.603   2.697   7.786
   45   2HB   TYR   6          2HB       TYR   6  11.055   1.813   8.255
   46    HD1  TYR   6           HD1      TYR   6   9.803   4.955   6.725
   47    HD2  TYR   6           HD2      TYR   6  13.202   2.874   8.324
   48    HE1  TYR   6           HE1      TYR   6  11.100   7.071   6.722
   49    HE2  TYR   6           HE2      TYR   6  14.499   4.986   8.324
   50    HH   TYR   6           HH       TYR   6  14.471   7.160   7.151
   51    H    LEU   7           H        LEU   7  11.213  -0.580   6.757
   52    HA   LEU   7           HA       LEU   7  14.055  -0.521   6.857
   53   1HB   LEU   7          1HB       LEU   7  12.251  -2.387   7.527
   54   2HB   LEU   7          2HB       LEU   7  12.738  -3.040   5.963
   55    HG   LEU   7           HG       LEU   7  14.938  -2.119   7.738
   56   1HD1  LEU   7          1HD1      LEU   7  13.306  -4.615   8.297
   57   2HD1  LEU   7          2HD1      LEU   7  14.890  -4.277   8.994
   58   3HD1  LEU   7          3HD1      LEU   7  13.519  -3.237   9.377
   59   1HD2  LEU   7          1HD2      LEU   7  14.385  -4.276   5.725
   60   2HD2  LEU   7          2HD2      LEU   7  15.708  -3.111   5.776
   61   3HD2  LEU   7          3HD2      LEU   7  15.709  -4.495   6.869
   62    H    SER   8           H        SER   8  11.893  -0.715   4.130
   63    HA   SER   8           HA       SER   8  13.690  -1.879   2.229
   64   1HB   SER   8          1HB       SER   8  11.132  -1.374   2.056
   65   2HB   SER   8          2HB       SER   8  11.655   0.211   1.494
   66    HG   SER   8           HG       SER   8  12.915  -0.904  -0.094
   67    H    ASP   9           H        ASP   9  13.081   1.478   3.197
   68    HA   ASP   9           HA       ASP   9  14.738   2.769   1.283
   69   1HB   ASP   9          1HB       ASP   9  13.117   3.671   3.222
   70   2HB   ASP   9          2HB       ASP   9  14.657   3.852   4.061
   71    H    ILE  10           H        ILE  10  15.513   1.376   4.454
   72    HA   ILE  10           HA       ILE  10  18.248   2.263   4.499
   73    HB   ILE  10           HB       ILE  10  17.041  -0.154   5.874
   74   1HG1  ILE  10          1HG1      ILE  10  17.328   2.693   6.887
   75   2HG1  ILE  10          2HG1      ILE  10  15.814   1.997   6.310
   76   1HG2  ILE  10          1HG2      ILE  10  19.522   1.516   6.357
   77   2HG2  ILE  10          2HG2      ILE  10  18.869   0.388   7.545
   78   3HG2  ILE  10          3HG2      ILE  10  19.448  -0.207   5.990
   79   1HD1  ILE  10          1HD1      ILE  10  16.406   0.086   8.045
   80   2HD1  ILE  10          2HD1      ILE  10  17.365   1.363   8.793
   81   3HD1  ILE  10          3HD1      ILE  10  15.625   1.573   8.584
   82    H    THR  11           H        THR  11  16.654  -0.595   3.152
   83    HA   THR  11           HA       THR  11  18.928  -2.227   2.696
   84    HB   THR  11           HB       THR  11  16.720  -2.034   0.659
   85    HG1  THR  11           HG1      THR  11  15.468  -3.292   2.127
   86   1HG2  THR  11          1HG2      THR  11  18.237  -4.308   1.967
   87   2HG2  THR  11          2HG2      THR  11  16.945  -4.515   0.785
   88   3HG2  THR  11          3HG2      THR  11  18.447  -3.718   0.318
   89    H    ASP  12           H        ASP  12  17.471   0.207   0.496
   90    HA   ASP  12           HA       ASP  12  19.434  -0.060  -1.563
   91   1HB   ASP  12          1HB       ASP  12  17.369   1.936  -0.813
   92   2HB   ASP  12          2HB       ASP  12  18.690   2.538  -1.815
   93    H    VAL  13           H        VAL  13  19.381   1.794   1.424
   94    HA   VAL  13           HA       VAL  13  21.617   3.495   0.907
   95    HB   VAL  13           HB       VAL  13  20.744   2.348   3.559
   96   1HG1  VAL  13          1HG1      VAL  13  22.732   4.355   2.722
   97   2HG1  VAL  13          2HG1      VAL  13  21.630   4.921   3.978
   98   3HG1  VAL  13          3HG1      VAL  13  22.598   3.471   4.242
   99   1HG2  VAL  13          1HG2      VAL  13  19.097   3.700   1.914
  100   2HG2  VAL  13          2HG2      VAL  13  19.056   3.909   3.663
  101   3HG2  VAL  13          3HG2      VAL  13  19.926   5.066   2.658
  102    H    ILE  14           H        ILE  14  21.394   0.185   2.145
  103    HA   ILE  14           HA       ILE  14  24.236   0.001   2.723
  104    HB   ILE  14           HB       ILE  14  21.861  -1.801   2.864
  105   1HG1  ILE  14          1HG1      ILE  14  23.309  -2.420   4.985
  106   2HG1  ILE  14          2HG1      ILE  14  24.176  -0.943   4.570
  107   1HG2  ILE  14          1HG2      ILE  14  24.685  -2.905   2.620
  108   2HG2  ILE  14          2HG2      ILE  14  23.305  -3.815   3.236
  109   3HG2  ILE  14          3HG2      ILE  14  23.322  -3.268   1.560
  110   1HD1  ILE  14          1HD1      ILE  14  21.301  -0.539   4.432
  111   2HD1  ILE  14          2HD1      ILE  14  21.786  -1.121   6.021
  112   3HD1  ILE  14          3HD1      ILE  14  22.507   0.347   5.362
  113    H    PHE  15           H        PHE  15  22.320  -0.304  -0.153
  114    HA   PHE  15           HA       PHE  15  24.050  -2.086  -1.616
  115   1HB   PHE  15          1HB       PHE  15  21.622  -1.286  -2.155
  116   2HB   PHE  15          2HB       PHE  15  22.424   0.081  -2.927
  117    HD1  PHE  15           HD1      PHE  15  22.998  -3.628  -2.710
  118    HD2  PHE  15           HD2      PHE  15  22.703  -0.155  -5.220
  119    HE1  PHE  15           HE1      PHE  15  23.470  -5.028  -4.701
  120    HE2  PHE  15           HE2      PHE  15  23.176  -1.556  -7.212
  121    HZ   PHE  15           HZ       PHE  15  23.559  -3.992  -6.952
  122    H    ILE  16           H        ILE  16  23.779   1.487  -1.573
  123    HA   ILE  16           HA       ILE  16  26.122   1.837  -3.269
  124    HB   ILE  16           HB       ILE  16  24.753   3.866  -1.474
  125   1HG1  ILE  16          1HG1      ILE  16  23.914   4.353  -4.058
  126   2HG1  ILE  16          2HG1      ILE  16  23.950   2.591  -4.015
  127   1HG2  ILE  16          1HG2      ILE  16  27.116   4.219  -2.617
  128   2HG2  ILE  16          2HG2      ILE  16  26.137   4.488  -4.059
  129   3HG2  ILE  16          3HG2      ILE  16  25.912   5.508  -2.637
  130   1HD1  ILE  16          1HD1      ILE  16  22.788   3.314  -1.571
  131   2HD1  ILE  16          2HD1      ILE  16  22.079   4.426  -2.742
  132   3HD1  ILE  16          3HD1      ILE  16  21.944   2.685  -2.987
  133    H    TYR  17           H        TYR  17  25.519   1.781   0.209
  134    HA   TYR  17           HA       TYR  17  28.003   2.893   1.075
  135   1HB   TYR  17          1HB       TYR  17  25.738   1.683   2.287
  136   2HB   TYR  17          2HB       TYR  17  27.136   0.772   2.849
  137    HD1  TYR  17           HD1      TYR  17  29.275   2.456   3.325
  138    HD2  TYR  17           HD2      TYR  17  25.108   3.450   3.644
  139    HE1  TYR  17           HE1      TYR  17  29.832   4.294   4.893
  140    HE2  TYR  17           HE2      TYR  17  25.666   5.287   5.211
  141    HH   TYR  17           HH       TYR  17  27.843   5.657   6.911
  142    H    PHE  18           H        PHE  18  27.081  -0.448   0.276
  143    HA   PHE  18           HA       PHE  18  29.660  -1.580   0.954
  144   1HB   PHE  18          1HB       PHE  18  27.170  -2.611   0.380
  145   2HB   PHE  18          2HB       PHE  18  28.069  -3.006  -1.081
  146    HD1  PHE  18           HD1      PHE  18  28.223  -3.240   2.647
  147    HD2  PHE  18           HD2      PHE  18  29.608  -4.793  -1.110
  148    HE1  PHE  18           HE1      PHE  18  29.352  -5.102   3.833
  149    HE2  PHE  18           HE2      PHE  18  30.736  -6.656   0.076
  150    HZ   PHE  18           HZ       PHE  18  30.608  -6.810   2.547
  151    H    ALA  19           H        ALA  19  28.282  -0.093  -1.891
  152    HA   ALA  19           HA       ALA  19  30.017  -1.036  -3.921
  153   1HB   ALA  19          1HB       ALA  19  27.987   0.445  -4.195
  154   2HB   ALA  19          2HB       ALA  19  28.979   1.793  -3.636
  155   3HB   ALA  19          3HB       ALA  19  29.392   0.955  -5.133
  156    H    ALA  20           H        ALA  20  30.371   1.714  -1.739
  157    HA   ALA  20           HA       ALA  20  32.734   2.891  -2.644
  158   1HB   ALA  20          1HB       ALA  20  31.873   2.407   0.216
  159   2HB   ALA  20          2HB       ALA  20  33.106   3.565  -0.281
  160   3HB   ALA  20          3HB       ALA  20  31.430   3.789  -0.784
  161    H    LEU  21           H        LEU  21  32.478   0.227  -0.326
  162    HA   LEU  21           HA       LEU  21  35.383  -0.159  -0.274
  163   1HB   LEU  21          1HB       LEU  21  33.261  -0.723   1.455
  164   2HB   LEU  21          2HB       LEU  21  33.805  -2.310   0.914
  165    HG   LEU  21           HG       LEU  21  36.010  -0.466   1.580
  166   1HD1  LEU  21          1HD1      LEU  21  33.921  -1.227   3.619
  167   2HD1  LEU  21          2HD1      LEU  21  35.599  -0.953   4.089
  168   3HD1  LEU  21          3HD1      LEU  21  34.668   0.347   3.345
  169   1HD2  LEU  21          1HD2      LEU  21  35.705  -3.161   1.238
  170   2HD2  LEU  21          2HD2      LEU  21  37.044  -2.432   2.125
  171   3HD2  LEU  21          3HD2      LEU  21  35.638  -3.044   2.996
  172    H    SER  22           H        SER  22  32.830  -1.329  -2.240
  173    HA   SER  22           HA       SER  22  33.496  -3.978  -2.804
  174   1HB   SER  22          1HB       SER  22  32.455  -1.795  -4.608
  175   2HB   SER  22          2HB       SER  22  32.622  -3.465  -5.142
  176    HG   SER  22           HG       SER  22  30.583  -3.264  -4.317
  177    HA   PRO  23           HA       PRO  23  36.750  -2.485  -6.112
  178   1HB   PRO  23          1HB       PRO  23  37.734   0.046  -5.826
  179   2HB   PRO  23          2HB       PRO  23  36.367  -0.356  -6.862
  180   1HG   PRO  23          1HG       PRO  23  36.379   0.926  -4.194
  181   2HG   PRO  23          2HG       PRO  23  35.300   1.196  -5.573
  182   1HD   PRO  23          1HD       PRO  23  34.626  -0.296  -3.374
  183   2HD   PRO  23          2HD       PRO  23  33.889  -0.495  -4.969
  184    H    ALA  24           H        ALA  24  37.228  -0.553  -3.186
  185    HA   ALA  24           HA       ALA  24  39.946  -0.865  -2.725
  186   1HB   ALA  24          1HB       ALA  24  37.584  -0.617  -0.918
  187   2HB   ALA  24          2HB       ALA  24  39.135  -1.030  -0.189
  188   3HB   ALA  24          3HB       ALA  24  38.966   0.462  -1.115
  189    H    ILE  25           H        ILE  25  37.476  -3.333  -2.333
  190    HA   ILE  25           HA       ILE  25  39.217  -5.158  -0.860
  191    HB   ILE  25           HB       ILE  25  36.577  -5.655  -2.281
  192   1HG1  ILE  25          1HG1      ILE  25  36.977  -5.484   0.697
  193   2HG1  ILE  25          2HG1      ILE  25  36.790  -4.005  -0.245
  194   1HG2  ILE  25          1HG2      ILE  25  38.462  -7.516  -1.297
  195   2HG2  ILE  25          2HG2      ILE  25  37.199  -7.437  -0.069
  196   3HG2  ILE  25          3HG2      ILE  25  36.786  -7.837  -1.736
  197   1HD1  ILE  25          1HD1      ILE  25  34.851  -6.320  -0.446
  198   2HD1  ILE  25          2HD1      ILE  25  34.633  -4.994   0.696
  199   3HD1  ILE  25          3HD1      ILE  25  34.633  -4.673  -1.038
  200    H    THR  26           H        THR  26  38.054  -4.896  -4.234
  201    HA   THR  26           HA       THR  26  39.461  -7.248  -5.152
  202    HB   THR  26           HB       THR  26  38.593  -4.854  -6.800
  203    HG1  THR  26           HG1      THR  26  36.835  -5.612  -5.669
  204   1HG2  THR  26          1HG2      THR  26  39.907  -7.317  -7.442
  205   2HG2  THR  26          2HG2      THR  26  38.271  -7.377  -8.095
  206   3HG2  THR  26          3HG2      THR  26  39.350  -6.056  -8.541
  207    H    PHE  27           H        PHE  27  40.114  -3.829  -5.970
  208    HA   PHE  27           HA       PHE  27  42.653  -4.118  -7.080
  209   1HB   PHE  27          1HB       PHE  27  41.089  -1.958  -5.887
  210   2HB   PHE  27          2HB       PHE  27  42.816  -1.725  -5.630
  211    HD1  PHE  27           HD1      PHE  27  40.147  -2.064  -8.158
  212    HD2  PHE  27           HD2      PHE  27  44.332  -1.365  -7.492
  213    HE1  PHE  27           HE1      PHE  27  40.393  -1.303 -10.505
  214    HE2  PHE  27           HE2      PHE  27  44.579  -0.607  -9.840
  215    HZ   PHE  27           HZ       PHE  27  42.609  -0.575 -11.347
  216    H    GLY  28           H        GLY  28  44.760  -4.222  -6.278
  217   1HA   GLY  28          1HA       GLY  28  45.059  -5.265  -3.564
  218   2HA   GLY  28          2HA       GLY  28  46.353  -5.073  -4.748
  219    H    GLY  29           H        GLY  29  47.856  -3.820  -3.721
  220   1HA   GLY  29          1HA       GLY  29  47.031  -1.588  -2.002
  221   2HA   GLY  29          2HA       GLY  29  48.687  -2.111  -2.294
  222    H    LEU  30           H        LEU  30  47.595  -1.982  -5.341
  223    HA   LEU  30           HA       LEU  30  48.824   0.602  -5.844
  224   1HB   LEU  30          1HB       LEU  30  48.316  -1.720  -7.344
  225   2HB   LEU  30          2HB       LEU  30  47.321  -0.477  -8.099
  226    HG   LEU  30           HG       LEU  30  49.594   0.937  -7.763
  227   1HD1  LEU  30          1HD1      LEU  30  50.684  -1.114  -6.755
  228   2HD1  LEU  30          2HD1      LEU  30  50.553  -1.878  -8.340
  229   3HD1  LEU  30          3HD1      LEU  30  51.541  -0.431  -8.137
  230   1HD2  LEU  30          1HD2      LEU  30  48.576  -0.825  -9.959
  231   2HD2  LEU  30          2HD2      LEU  30  48.761   0.929  -9.926
  232   3HD2  LEU  30          3HD2      LEU  30  50.173  -0.103 -10.152
  233    H    LEU  31           H        LEU  31  47.419   2.051  -4.681
  234    HA   LEU  31           HA       LEU  31  44.587   2.230  -5.416
  235   1HB   LEU  31          1HB       LEU  31  46.429   3.622  -3.522
  236   2HB   LEU  31          2HB       LEU  31  44.997   4.503  -4.055
  237    HG   LEU  31           HG       LEU  31  43.651   2.424  -3.440
  238   1HD1  LEU  31          1HD1      LEU  31  46.392   1.667  -2.528
  239   2HD1  LEU  31          2HD1      LEU  31  45.034   1.199  -1.505
  240   3HD1  LEU  31          3HD1      LEU  31  45.106   0.652  -3.180
  241   1HD2  LEU  31          1HD2      LEU  31  43.761   4.489  -2.045
  242   2HD2  LEU  31          2HD2      LEU  31  43.585   3.031  -1.067
  243   3HD2  LEU  31          3HD2      LEU  31  45.158   3.818  -1.203
  244    H    GLY  32           H        GLY  32  47.612   3.812  -6.255
  245   1HA   GLY  32          1HA       GLY  32  47.829   4.842  -8.478
  246   2HA   GLY  32          2HA       GLY  32  46.141   5.343  -8.355
  247    H    GLU  33           H        GLU  33  47.000   7.532  -8.835
  248    HA   GLU  33           HA       GLU  33  48.680   8.836  -6.830
  249   1HB   GLU  33          1HB       GLU  33  48.234   9.343  -9.455
  250   2HB   GLU  33          2HB       GLU  33  47.101  10.485  -8.732
  251   1HG   GLU  33          1HG       GLU  33  49.235  11.606  -8.989
  252   2HG   GLU  33          2HG       GLU  33  48.975  11.309  -7.269
  253    H    LYS  34           H        LYS  34  45.285   9.221  -7.899
  254    HA   LYS  34           HA       LYS  34  44.652  10.190  -5.154
  255   1HB   LYS  34          1HB       LYS  34  44.685  11.943  -7.096
  256   2HB   LYS  34          2HB       LYS  34  43.159  11.190  -7.563
  257   1HG   LYS  34          1HG       LYS  34  42.441  11.513  -5.117
  258   2HG   LYS  34          2HG       LYS  34  43.830  12.590  -4.972
  259   1HD   LYS  34          1HD       LYS  34  42.971  14.102  -6.582
  260   2HD   LYS  34          2HD       LYS  34  41.797  12.926  -7.178
  261   1HE   LYS  34          1HE       LYS  34  41.670  13.756  -4.301
  262   2HE   LYS  34          2HE       LYS  34  41.039  14.853  -5.529
  263   1HZ   LYS  34          1HZ       LYS  34  40.255  12.006  -5.200
  264   2HZ   LYS  34          2HZ       LYS  34  39.333  13.343  -4.703
  265   3HZ   LYS  34          3HZ       LYS  34  39.630  13.086  -6.353
  Start of MODEL   14
    1   1H    ACE   1          HA1       ACE   1  40.419 -13.763  -2.241
    2   2H    ACE   1          HA2       ACE   1  41.749 -14.878  -2.553
    3   3H    ACE   1          HA3       ACE   1  41.906 -13.176  -2.987
    4    H    ARG   2           H        ARG   2  41.548 -11.660  -1.004
    5    HA   ARG   2           HA       ARG   2  43.091 -12.782   1.284
    6   1HB   ARG   2          1HB       ARG   2  43.032 -10.119  -0.063
    7   2HB   ARG   2          2HB       ARG   2  43.388 -10.168   1.663
    8   1HG   ARG   2          1HG       ARG   2  44.841 -12.164   0.021
    9   2HG   ARG   2          2HG       ARG   2  45.280 -10.483  -0.278
   10   1HD   ARG   2          1HD       ARG   2  45.663 -10.160   2.148
   11   2HD   ARG   2          2HD       ARG   2  45.261 -11.855   2.428
   12    HE   ARG   2           HE       ARG   2  47.747 -10.844   1.200
   13   1HH1  ARG   2          1HH2      ARG   2  46.956 -13.074   3.342
   14   2HH1  ARG   2          2HH2      ARG   2  47.586 -14.461   2.517
   15   1HH2  ARG   2          1HH1      ARG   2  48.007 -12.806  -0.501
   16   2HH2  ARG   2          2HH1      ARG   2  48.182 -14.309   0.340
   17    H    TYR   3           H        TYR   3  39.996 -11.669   0.417
   18    HA   TYR   3           HA       TYR   3  39.300 -11.297   3.283
   19   1HB   TYR   3          1HB       TYR   3  39.148  -9.342   1.225
   20   2HB   TYR   3          2HB       TYR   3  37.490  -9.822   1.569
   21    HD1  TYR   3           HD1      TYR   3  40.575  -9.417   3.669
   22    HD2  TYR   3           HD2      TYR   3  36.466  -8.334   3.041
   23    HE1  TYR   3           HE1      TYR   3  40.623  -8.040   5.730
   24    HE2  TYR   3           HE2      TYR   3  36.514  -6.957   5.104
   25    HH   TYR   3           HH       TYR   3  38.489  -5.722   6.440
   26    HA   PRO   4           HA       PRO   4  36.601 -14.547   1.305
   27   1HB   PRO   4          1HB       PRO   4  37.378 -16.642   2.866
   28   2HB   PRO   4          2HB       PRO   4  38.173 -16.208   1.348
   29   1HG   PRO   4          1HG       PRO   4  39.136 -15.907   4.102
   30   2HG   PRO   4          2HG       PRO   4  40.048 -15.931   2.584
   31   1HD   PRO   4          1HD       PRO   4  39.314 -13.642   4.138
   32   2HD   PRO   4          2HD       PRO   4  40.173 -13.677   2.591
   33    H    TYR   5           H        TYR   5  37.335 -15.289   4.698
   34    HA   TYR   5           HA       TYR   5  34.507 -15.380   5.375
   35   1HB   TYR   5          1HB       TYR   5  36.287 -16.846   6.395
   36   2HB   TYR   5          2HB       TYR   5  36.883 -15.425   7.252
   37    HD1  TYR   5           HD1      TYR   5  35.438 -14.273   8.926
   38    HD2  TYR   5           HD2      TYR   5  34.267 -17.961   7.060
   39    HE1  TYR   5           HE1      TYR   5  33.723 -14.618  10.685
   40    HE2  TYR   5           HE2      TYR   5  32.553 -18.305   8.819
   41    HH   TYR   5           HH       TYR   5  31.477 -15.929  10.829
   42    H    TYR   6           H        TYR   6  37.114 -13.047   5.739
   43    HA   TYR   6           HA       TYR   6  35.814 -11.365   7.678
   44   1HB   TYR   6          1HB       TYR   6  38.307 -11.478   6.588
   45   2HB   TYR   6          2HB       TYR   6  37.637 -10.103   5.718
   46    HD1  TYR   6           HD1      TYR   6  36.488  -8.255   7.113
   47    HD2  TYR   6           HD2      TYR   6  39.073 -11.240   8.801
   48    HE1  TYR   6           HE1      TYR   6  36.820  -6.832   9.117
   49    HE2  TYR   6           HE2      TYR   6  39.406  -9.819  10.806
   50    HH   TYR   6           HH       TYR   6  39.243  -7.174  11.230
   51    H    LEU   7           H        LEU   7  35.169 -11.919   4.352
   52    HA   LEU   7           HA       LEU   7  34.268  -9.334   3.537
   53   1HB   LEU   7          1HB       LEU   7  34.673 -11.274   2.010
   54   2HB   LEU   7          2HB       LEU   7  33.213 -12.031   2.646
   55    HG   LEU   7           HG       LEU   7  32.555  -9.333   1.918
   56   1HD1  LEU   7          1HD1      LEU   7  34.696  -9.907   0.437
   57   2HD1  LEU   7          2HD1      LEU   7  33.497 -10.773  -0.524
   58   3HD1  LEU   7          3HD1      LEU   7  33.316  -9.042  -0.240
   59   1HD2  LEU   7          1HD2      LEU   7  31.234 -11.604   1.953
   60   2HD2  LEU   7          2HD2      LEU   7  30.814 -10.379   0.756
   61   3HD2  LEU   7          3HD2      LEU   7  31.814 -11.756   0.294
   62    H    SER   8           H        SER   8  32.915 -11.515   5.836
   63    HA   SER   8           HA       SER   8  30.139 -11.085   5.497
   64   1HB   SER   8          1HB       SER   8  31.453 -11.268   8.202
   65   2HB   SER   8          2HB       SER   8  29.883 -11.892   7.704
   66    HG   SER   8           HG       SER   8  30.884 -13.655   7.186
   67    H    ASP   9           H        ASP   9  32.507  -9.187   7.362
   68    HA   ASP   9           HA       ASP   9  30.637  -7.266   8.371
   69   1HB   ASP   9          1HB       ASP   9  33.004  -7.594   9.188
   70   2HB   ASP   9          2HB       ASP   9  33.558  -6.775   7.726
   71    H    ILE  10           H        ILE  10  32.687  -7.280   5.451
   72    HA   ILE  10           HA       ILE  10  31.892  -4.709   4.480
   73    HB   ILE  10           HB       ILE  10  32.724  -7.145   2.871
   74   1HG1  ILE  10          1HG1      ILE  10  34.378  -6.614   4.618
   75   2HG1  ILE  10          2HG1      ILE  10  35.007  -6.185   3.029
   76   1HG2  ILE  10          1HG2      ILE  10  32.301  -4.259   2.249
   77   2HG2  ILE  10          2HG2      ILE  10  33.688  -5.051   1.500
   78   3HG2  ILE  10          3HG2      ILE  10  32.062  -5.676   1.228
   79   1HD1  ILE  10          1HD1      ILE  10  33.749  -3.856   3.769
   80   2HD1  ILE  10          2HD1      ILE  10  34.344  -4.446   5.319
   81   3HD1  ILE  10          3HD1      ILE  10  35.469  -4.173   3.989
   82    H    THR  11           H        THR  11  30.257  -7.785   4.529
   83    HA   THR  11           HA       THR  11  28.419  -7.299   2.361
   84    HB   THR  11           HB       THR  11  27.818  -8.971   4.806
   85    HG1  THR  11           HG1      THR  11  29.022 -10.589   3.882
   86   1HG2  THR  11          1HG2      THR  11  26.119  -8.582   2.944
   87   2HG2  THR  11          2HG2      THR  11  27.211  -9.481   1.890
   88   3HG2  THR  11          3HG2      THR  11  26.497 -10.268   3.298
   89    H    ASP  12           H        ASP  12  28.296  -6.711   5.872
   90    HA   ASP  12           HA       ASP  12  25.609  -5.717   5.949
   91   1HB   ASP  12          1HB       ASP  12  28.009  -5.559   7.714
   92   2HB   ASP  12          2HB       ASP  12  26.740  -4.364   7.978
   93    H    VAL  13           H        VAL  13  28.678  -4.254   5.083
   94    HA   VAL  13           HA       VAL  13  27.695  -1.521   5.125
   95    HB   VAL  13           HB       VAL  13  30.098  -2.654   3.696
   96   1HG1  VAL  13          1HG1      VAL  13  29.312   0.134   4.567
   97   2HG1  VAL  13          2HG1      VAL  13  30.940  -0.298   4.044
   98   3HG1  VAL  13          3HG1      VAL  13  29.587  -0.431   2.920
   99   1HG2  VAL  13          1HG2      VAL  13  29.796  -1.551   6.504
  100   2HG2  VAL  13          2HG2      VAL  13  30.159  -3.223   6.079
  101   3HG2  VAL  13          3HG2      VAL  13  31.334  -1.952   5.741
  102    H    ILE  14           H        ILE  14  27.654  -4.123   2.803
  103    HA   ILE  14           HA       ILE  14  27.123  -2.350   0.531
  104    HB   ILE  14           HB       ILE  14  26.913  -5.371   0.739
  105   1HG1  ILE  14          1HG1      ILE  14  29.171  -3.953  -0.614
  106   2HG1  ILE  14          2HG1      ILE  14  29.188  -4.021   1.145
  107   1HG2  ILE  14          1HG2      ILE  14  25.813  -3.920  -1.203
  108   2HG2  ILE  14          2HG2      ILE  14  27.477  -3.857  -1.783
  109   3HG2  ILE  14          3HG2      ILE  14  26.676  -5.413  -1.569
  110   1HD1  ILE  14          1HD1      ILE  14  28.516  -6.613   0.464
  111   2HD1  ILE  14          2HD1      ILE  14  29.647  -6.163  -0.813
  112   3HD1  ILE  14          3HD1      ILE  14  30.139  -6.062   0.877
  113    H    PHE  15           H        PHE  15  25.284  -4.269   2.827
  114    HA   PHE  15           HA       PHE  15  22.778  -4.201   1.387
  115   1HB   PHE  15          1HB       PHE  15  23.689  -5.564   3.563
  116   2HB   PHE  15          2HB       PHE  15  22.735  -4.312   4.353
  117    HD1  PHE  15           HD1      PHE  15  22.543  -6.751   1.515
  118    HD2  PHE  15           HD2      PHE  15  20.420  -4.619   4.580
  119    HE1  PHE  15           HE1      PHE  15  20.472  -7.987   0.939
  120    HE2  PHE  15           HE2      PHE  15  18.347  -5.855   4.004
  121    HZ   PHE  15           HZ       PHE  15  18.375  -7.540   2.183
  122    H    ILE  16           H        ILE  16  24.332  -2.182   3.828
  123    HA   ILE  16           HA       ILE  16  22.058  -0.392   4.122
  124    HB   ILE  16           HB       ILE  16  23.984  -0.911   5.787
  125   1HG1  ILE  16          1HG1      ILE  16  23.873   1.712   6.416
  126   2HG1  ILE  16          2HG1      ILE  16  22.563   1.635   5.237
  127   1HG2  ILE  16          1HG2      ILE  16  25.740  -0.150   4.034
  128   2HG2  ILE  16          2HG2      ILE  16  25.303   1.482   4.540
  129   3HG2  ILE  16          3HG2      ILE  16  25.961   0.340   5.712
  130   1HD1  ILE  16          1HD1      ILE  16  21.547  -0.236   6.493
  131   2HD1  ILE  16          2HD1      ILE  16  22.847  -0.140   7.680
  132   3HD1  ILE  16          3HD1      ILE  16  21.711   1.198   7.507
  133    H    TYR  17           H        TYR  17  24.997  -0.493   2.240
  134    HA   TYR  17           HA       TYR  17  25.154   2.136   1.249
  135   1HB   TYR  17          1HB       TYR  17  26.419  -0.274   0.705
  136   2HB   TYR  17          2HB       TYR  17  25.627   0.102  -0.822
  137    HD1  TYR  17           HD1      TYR  17  26.197   2.124  -2.079
  138    HD2  TYR  17           HD2      TYR  17  28.163   1.173   1.619
  139    HE1  TYR  17           HE1      TYR  17  27.958   3.795  -2.585
  140    HE2  TYR  17           HE2      TYR  17  29.925   2.844   1.113
  141    HH   TYR  17           HH       TYR  17  30.528   4.045  -1.813
  142    H    PHE  18           H        PHE  18  23.214  -0.576  -0.041
  143    HA   PHE  18           HA       PHE  18  22.034   1.079  -2.133
  144   1HB   PHE  18          1HB       PHE  18  22.246  -1.671  -1.620
  145   2HB   PHE  18          2HB       PHE  18  20.523  -1.333  -1.470
  146    HD1  PHE  18           HD1      PHE  18  23.437  -1.271  -3.728
  147    HD2  PHE  18           HD2      PHE  18  19.219  -0.544  -3.372
  148    HE1  PHE  18           HE1      PHE  18  23.249  -1.158  -6.198
  149    HE2  PHE  18           HE2      PHE  18  19.030  -0.431  -5.842
  150    HZ   PHE  18           HZ       PHE  18  21.045  -0.736  -7.255
  151    H    ALA  19           H        ALA  19  21.193   0.161   1.144
  152    HA   ALA  19           HA       ALA  19  18.423   0.732   1.172
  153   1HB   ALA  19          1HB       ALA  19  19.630  -0.268   3.078
  154   2HB   ALA  19          2HB       ALA  19  20.467   1.261   3.348
  155   3HB   ALA  19          3HB       ALA  19  18.723   1.158   3.584
  156    H    ALA  20           H        ALA  20  21.099   2.926   1.998
  157    HA   ALA  20           HA       ALA  20  19.491   5.274   2.309
  158   1HB   ALA  20          1HB       ALA  20  21.970   4.752   2.996
  159   2HB   ALA  20          2HB       ALA  20  22.343   5.387   1.393
  160   3HB   ALA  20          3HB       ALA  20  21.514   6.403   2.572
  161    H    LEU  21           H        LEU  21  21.478   4.139  -0.389
  162    HA   LEU  21           HA       LEU  21  20.947   6.351  -2.121
  163   1HB   LEU  21          1HB       LEU  21  22.000   3.576  -2.487
  164   2HB   LEU  21          2HB       LEU  21  21.562   4.513  -3.917
  165    HG   LEU  21           HG       LEU  21  23.195   5.885  -1.830
  166   1HD1  LEU  21          1HD1      LEU  21  24.159   3.633  -3.587
  167   2HD1  LEU  21          2HD1      LEU  21  25.248   4.939  -3.116
  168   3HD1  LEU  21          3HD1      LEU  21  24.499   3.926  -1.881
  169   1HD2  LEU  21          1HD2      LEU  21  22.852   5.918  -4.821
  170   2HD2  LEU  21          2HD2      LEU  21  22.701   7.248  -3.673
  171   3HD2  LEU  21          3HD2      LEU  21  24.295   6.622  -4.092
  172    H    SER  22           H        SER  22  18.880   3.742  -1.220
  173    HA   SER  22           HA       SER  22  17.384   3.500  -3.668
  174   1HB   SER  22          1HB       SER  22  16.945   1.723  -2.254
  175   2HB   SER  22          2HB       SER  22  16.953   2.723  -0.811
  176    HG   SER  22           HG       SER  22  14.845   2.214  -1.185
  177    HA   PRO  23           HA       PRO  23  14.247   6.677  -1.692
  178   1HB   PRO  23          1HB       PRO  23  15.034   7.948   0.597
  179   2HB   PRO  23          2HB       PRO  23  14.099   6.456   0.578
  180   1HG   PRO  23          1HG       PRO  23  16.997   6.840   1.093
  181   2HG   PRO  23          2HG       PRO  23  15.859   5.702   1.835
  182   1HD   PRO  23          1HD       PRO  23  17.627   4.973  -0.113
  183   2HD   PRO  23          2HD       PRO  23  16.075   4.169   0.151
  184    H    ALA  24           H        ALA  24  17.465   7.699  -0.606
  185    HA   ALA  24           HA       ALA  24  17.424  10.405  -1.231
  186   1HB   ALA  24          1HB       ALA  24  19.367   8.677  -0.437
  187   2HB   ALA  24          2HB       ALA  24  19.912   9.040  -2.074
  188   3HB   ALA  24          3HB       ALA  24  19.678  10.346  -0.911
  189    H    ILE  25           H        ILE  25  17.622   7.747  -3.512
  190    HA   ILE  25           HA       ILE  25  18.313   9.480  -5.770
  191    HB   ILE  25           HB       ILE  25  17.580   6.551  -5.495
  192   1HG1  ILE  25          1HG1      ILE  25  19.852   7.269  -4.829
  193   2HG1  ILE  25          2HG1      ILE  25  19.901   6.238  -6.257
  194   1HG2  ILE  25          1HG2      ILE  25  17.944   8.183  -8.020
  195   2HG2  ILE  25          2HG2      ILE  25  18.272   6.450  -7.983
  196   3HG2  ILE  25          3HG2      ILE  25  16.652   7.048  -7.627
  197   1HD1  ILE  25          1HD1      ILE  25  19.632   8.826  -7.290
  198   2HD1  ILE  25          2HD1      ILE  25  20.765   9.006  -5.950
  199   3HD1  ILE  25          3HD1      ILE  25  21.112   7.867  -7.250
  200    H    THR  26           H        THR  26  15.387   7.843  -4.549
  201    HA   THR  26           HA       THR  26  13.696   8.764  -6.713
  202    HB   THR  26           HB       THR  26  12.876   7.889  -3.927
  203    HG1  THR  26           HG1      THR  26  13.845   6.144  -4.643
  204   1HG2  THR  26          1HG2      THR  26  11.461   8.420  -6.500
  205   2HG2  THR  26          2HG2      THR  26  10.900   7.067  -5.519
  206   3HG2  THR  26          3HG2      THR  26  10.921   8.695  -4.843
  207    H    PHE  27           H        PHE  27  13.456   9.642  -3.250
  208    HA   PHE  27           HA       PHE  27  11.922  11.962  -3.542
  209   1HB   PHE  27          1HB       PHE  27  13.991  11.131  -1.522
  210   2HB   PHE  27          2HB       PHE  27  13.220  12.713  -1.405
  211    HD1  PHE  27           HD1      PHE  27  12.548   9.053  -1.550
  212    HD2  PHE  27           HD2      PHE  27  10.991  12.944  -0.606
  213    HE1  PHE  27           HE1      PHE  27  10.559   8.003  -0.503
  214    HE2  PHE  27           HE2      PHE  27   9.003  11.894   0.441
  215    HZ   PHE  27           HZ       PHE  27   8.787   9.424   0.492
  216    H    GLY  28           H        GLY  28  12.588  14.260  -3.360
  217   1HA   GLY  28          1HA       GLY  28  14.798  14.847  -5.205
  218   2HA   GLY  28          2HA       GLY  28  13.635  16.014  -4.580
  219    H    GLY  29           H        GLY  29  14.777  17.544  -3.494
  220   1HA   GLY  29          1HA       GLY  29  16.174  18.495  -1.866
  221   2HA   GLY  29          2HA       GLY  29  16.157  16.927  -1.056
  222    H    LEU  30           H        LEU  30  17.277  17.608  -4.347
  223    HA   LEU  30           HA       LEU  30  19.677  16.082  -4.032
  224   1HB   LEU  30          1HB       LEU  30  18.551  16.645  -6.219
  225   2HB   LEU  30          2HB       LEU  30  19.185  18.284  -6.055
  226    HG   LEU  30           HG       LEU  30  21.457  16.888  -5.623
  227   1HD1  LEU  30          1HD1      LEU  30  19.603  15.136  -7.214
  228   2HD1  LEU  30          2HD1      LEU  30  21.333  15.112  -7.555
  229   3HD1  LEU  30          3HD1      LEU  30  20.746  14.685  -5.948
  230   1HD2  LEU  30          1HD2      LEU  30  21.089  18.687  -7.294
  231   2HD2  LEU  30          2HD2      LEU  30  22.007  17.346  -7.979
  232   3HD2  LEU  30          3HD2      LEU  30  20.293  17.524  -8.355
  233    H    LEU  31           H        LEU  31  21.342  16.647  -2.735
  234    HA   LEU  31           HA       LEU  31  21.819  19.473  -2.052
  235   1HB   LEU  31          1HB       LEU  31  22.390  16.902  -0.863
  236   2HB   LEU  31          2HB       LEU  31  23.890  17.817  -1.011
  237    HG   LEU  31           HG       LEU  31  21.336  18.889   0.227
  238   1HD1  LEU  31          1HD1      LEU  31  23.697  17.439   1.335
  239   2HD1  LEU  31          2HD1      LEU  31  23.070  18.797   2.270
  240   3HD1  LEU  31          3HD1      LEU  31  22.020  17.435   1.880
  241   1HD2  LEU  31          1HD2      LEU  31  24.050  20.000  -0.367
  242   2HD2  LEU  31          2HD2      LEU  31  22.477  20.797  -0.421
  243   3HD2  LEU  31          3HD2      LEU  31  23.264  20.502   1.129
  244    H    GLY  32           H        GLY  32  23.419  16.846  -3.828
  245   1HA   GLY  32          1HA       GLY  32  24.877  18.780  -5.459
  246   2HA   GLY  32          2HA       GLY  32  25.922  17.863  -4.374
  247    H    GLU  33           H        GLU  33  26.041  17.693  -7.227
  248    HA   GLU  33           HA       GLU  33  24.657  15.279  -8.097
  249   1HB   GLU  33          1HB       GLU  33  26.890  16.931  -9.304
  250   2HB   GLU  33          2HB       GLU  33  26.220  15.500 -10.087
  251   1HG   GLU  33          1HG       GLU  33  24.350  16.596 -10.742
  252   2HG   GLU  33          2HG       GLU  33  24.147  17.366  -9.168
  253    H    LYS  34           H        LYS  34  27.879  16.086  -6.880
  254    HA   LYS  34           HA       LYS  34  28.451  13.165  -6.723
  255   1HB   LYS  34          1HB       LYS  34  29.797  14.530  -8.466
  256   2HB   LYS  34          2HB       LYS  34  30.612  15.238  -7.070
  257   1HG   LYS  34          1HG       LYS  34  30.350  12.272  -7.112
  258   2HG   LYS  34          2HG       LYS  34  31.492  12.988  -8.249
  259   1HD   LYS  34          1HD       LYS  34  32.570  14.210  -6.385
  260   2HD   LYS  34          2HD       LYS  34  31.446  13.459  -5.252
  261   1HE   LYS  34          1HE       LYS  34  32.396  11.256  -6.547
  262   2HE   LYS  34          2HE       LYS  34  33.811  12.305  -6.605
  263   1HZ   LYS  34          1HZ       LYS  34  32.296  11.936  -4.101
  264   2HZ   LYS  34          2HZ       LYS  34  33.488  10.823  -4.566
  265   3HZ   LYS  34          3HZ       LYS  34  33.902  12.450  -4.309
  Start of MODEL   15
    1   1H    ACE   1          HA1       ACE   1   8.309   9.534   6.383
    2   2H    ACE   1          HA2       ACE   1   9.785  10.450   6.081
    3   3H    ACE   1          HA3       ACE   1   8.489  10.449   4.886
    4    H    ARG   2           H        ARG   2   9.550  11.754   7.957
    5    HA   ARG   2           HA       ARG   2   7.501  13.878   7.700
    6   1HB   ARG   2          1HB       ARG   2   7.872  12.013  10.012
    7   2HB   ARG   2          2HB       ARG   2   7.388  13.677  10.334
    8   1HG   ARG   2          1HG       ARG   2   5.265  13.126   9.822
    9   2HG   ARG   2          2HG       ARG   2   5.776  12.794   8.169
   10   1HD   ARG   2          1HD       ARG   2   5.098  10.670   8.597
   11   2HD   ARG   2          2HD       ARG   2   6.614  10.525   9.487
   12    HE   ARG   2           HE       ARG   2   4.125  11.420  10.874
   13   1HH1  ARG   2          1HH2      ARG   2   5.356   8.480  10.219
   14   2HH1  ARG   2          2HH2      ARG   2   5.796   8.053  11.840
   15   1HH2  ARG   2          1HH1      ARG   2   5.324  11.247  13.096
   16   2HH2  ARG   2          2HH1      ARG   2   5.775   9.617  13.466
   17    H    TYR   3           H        TYR   3  10.449  12.775   9.357
   18    HA   TYR   3           HA       TYR   3  11.878  15.187   8.869
   19   1HB   TYR   3          1HB       TYR   3  10.109  15.249  11.187
   20   2HB   TYR   3          2HB       TYR   3  11.788  15.501  11.657
   21    HD1  TYR   3           HD1      TYR   3  13.126  17.107   9.918
   22    HD2  TYR   3           HD2      TYR   3   8.889  17.138  10.625
   23    HE1  TYR   3           HE1      TYR   3  13.002  19.440   9.080
   24    HE2  TYR   3           HE2      TYR   3   8.766  19.470   9.790
   25    HH   TYR   3           HH       TYR   3  11.130  21.486   9.602
   26    HA   PRO   4           HA       PRO   4  14.359  12.312  11.803
   27   1HB   PRO   4          1HB       PRO   4  13.039  10.500  13.354
   28   2HB   PRO   4          2HB       PRO   4  13.313  12.175  13.838
   29   1HG   PRO   4          1HG       PRO   4  10.817  10.866  13.121
   30   2HG   PRO   4          2HG       PRO   4  11.074  12.438  13.894
   31   1HD   PRO   4          1HD       PRO   4  10.482  11.861  11.106
   32   2HD   PRO   4          2HD       PRO   4  10.531  13.427  11.929
   33    H    TYR   5           H        TYR   5  11.691   9.983  11.471
   34    HA   TYR   5           HA       TYR   5  13.207   7.812  10.538
   35   1HB   TYR   5          1HB       TYR   5  10.812   7.731  11.268
   36   2HB   TYR   5          2HB       TYR   5  10.358   8.461   9.729
   37    HD1  TYR   5           HD1      TYR   5  12.110   5.525  11.229
   38    HD2  TYR   5           HD2      TYR   5  10.110   7.135   7.785
   39    HE1  TYR   5           HE1      TYR   5  12.139   3.286  10.166
   40    HE2  TYR   5           HE2      TYR   5  10.141   4.895   6.720
   41    HH   TYR   5           HH       TYR   5  10.477   2.164   8.202
   42    H    TYR   6           H        TYR   6  12.163  10.648   8.789
   43    HA   TYR   6           HA       TYR   6  12.449   9.551   6.128
   44   1HB   TYR   6          1HB       TYR   6  11.176  11.669   6.815
   45   2HB   TYR   6          2HB       TYR   6  12.751  12.459   6.889
   46    HD1  TYR   6           HD1      TYR   6  11.088  10.016   4.563
   47    HD2  TYR   6           HD2      TYR   6  13.246  13.705   4.999
   48    HE1  TYR   6           HE1      TYR   6  11.061  10.322   2.102
   49    HE2  TYR   6           HE2      TYR   6  13.219  14.010   2.538
   50    HH   TYR   6           HH       TYR   6  12.802  11.792   0.417
   51    H    LEU   7           H        LEU   7  14.564  11.498   8.225
   52    HA   LEU   7           HA       LEU   7  16.742  11.707   6.375
   53   1HB   LEU   7          1HB       LEU   7  16.211  12.816   8.791
   54   2HB   LEU   7          2HB       LEU   7  17.383  11.589   9.273
   55    HG   LEU   7           HG       LEU   7  18.913  12.429   7.465
   56   1HD1  LEU   7          1HD1      LEU   7  16.632  14.368   7.166
   57   2HD1  LEU   7          2HD1      LEU   7  18.276  14.881   6.788
   58   3HD1  LEU   7          3HD1      LEU   7  17.550  13.533   5.914
   59   1HD2  LEU   7          1HD2      LEU   7  18.002  14.381   9.600
   60   2HD2  LEU   7          2HD2      LEU   7  19.277  13.172   9.747
   61   3HD2  LEU   7          3HD2      LEU   7  19.494  14.557   8.677
   62    H    SER   8           H        SER   8  16.046   9.357   8.961
   63    HA   SER   8           HA       SER   8  18.476   7.856   8.666
   64   1HB   SER   8          1HB       SER   8  16.946   6.000   9.716
   65   2HB   SER   8          2HB       SER   8  17.361   7.420  10.670
   66    HG   SER   8           HG       SER   8  15.243   7.493  10.835
   67    H    ASP   9           H        ASP   9  15.507   7.910   6.833
   68    HA   ASP   9           HA       ASP   9  15.741   5.283   5.661
   69   1HB   ASP   9          1HB       ASP   9  13.746   7.053   5.715
   70   2HB   ASP   9          2HB       ASP   9  14.441   7.512   4.159
   71    H    ILE  10           H        ILE  10  16.327   8.500   4.203
   72    HA   ILE  10           HA       ILE  10  17.565   7.570   1.832
   73    HB   ILE  10           HB       ILE  10  16.761   9.901   2.341
   74   1HG1  ILE  10          1HG1      ILE  10  19.609   9.939   1.363
   75   2HG1  ILE  10          2HG1      ILE  10  18.318   9.197   0.417
   76   1HG2  ILE  10          1HG2      ILE  10  17.901  10.138   4.535
   77   2HG2  ILE  10          2HG2      ILE  10  19.445  10.218   3.686
   78   3HG2  ILE  10          3HG2      ILE  10  18.235  11.477   3.437
   79   1HD1  ILE  10          1HD1      ILE  10  17.957  11.976   1.500
   80   2HD1  ILE  10          2HD1      ILE  10  18.897  11.726   0.028
   81   3HD1  ILE  10          3HD1      ILE  10  17.207  11.226   0.091
   82    H    THR  11           H        THR  11  19.018   8.446   4.940
   83    HA   THR  11           HA       THR  11  21.745   8.059   4.183
   84    HB   THR  11           HB       THR  11  20.576   7.531   6.928
   85    HG1  THR  11           HG1      THR  11  20.542   9.659   7.227
   86   1HG2  THR  11          1HG2      THR  11  23.228   7.497   5.872
   87   2HG2  THR  11          2HG2      THR  11  23.080   8.921   6.901
   88   3HG2  THR  11          3HG2      THR  11  22.724   7.321   7.552
   89    H    ASP  12           H        ASP  12  19.235   5.796   5.168
   90    HA   ASP  12           HA       ASP  12  20.991   3.535   5.585
   91   1HB   ASP  12          1HB       ASP  12  18.062   3.991   5.354
   92   2HB   ASP  12          2HB       ASP  12  18.627   2.371   4.943
   93    H    VAL  13           H        VAL  13  19.247   4.851   2.819
   94    HA   VAL  13           HA       VAL  13  19.761   2.652   1.037
   95    HB   VAL  13           HB       VAL  13  19.227   5.553   0.382
   96   1HG1  VAL  13          1HG1      VAL  13  19.422   3.035  -1.198
   97   2HG1  VAL  13          2HG1      VAL  13  18.103   4.129  -1.615
   98   3HG1  VAL  13          3HG1      VAL  13  19.772   4.695  -1.685
   99   1HG2  VAL  13          1HG2      VAL  13  17.442   3.226   1.071
  100   2HG2  VAL  13          2HG2      VAL  13  17.396   4.873   1.699
  101   3HG2  VAL  13          3HG2      VAL  13  16.855   4.541   0.053
  102    H    ILE  14           H        ILE  14  21.550   5.549   1.919
  103    HA   ILE  14           HA       ILE  14  23.527   5.265  -0.203
  104    HB   ILE  14           HB       ILE  14  23.665   6.842   2.384
  105   1HG1  ILE  14          1HG1      ILE  14  22.853   7.778  -0.384
  106   2HG1  ILE  14          2HG1      ILE  14  21.698   7.354   0.880
  107   1HG2  ILE  14          1HG2      ILE  14  25.679   6.299   0.540
  108   2HG2  ILE  14          2HG2      ILE  14  25.068   7.871   0.024
  109   3HG2  ILE  14          3HG2      ILE  14  25.655   7.650   1.672
  110   1HD1  ILE  14          1HD1      ILE  14  23.840   9.490   1.102
  111   2HD1  ILE  14          2HD1      ILE  14  22.120   9.786   0.852
  112   3HD1  ILE  14          3HD1      ILE  14  22.681   9.065   2.360
  113    H    PHE  15           H        PHE  15  23.119   4.026   3.045
  114    HA   PHE  15           HA       PHE  15  25.859   3.313   3.540
  115   1HB   PHE  15          1HB       PHE  15  23.607   3.329   5.044
  116   2HB   PHE  15          2HB       PHE  15  23.695   1.613   4.659
  117    HD1  PHE  15           HD1      PHE  15  25.622   0.255   5.376
  118    HD2  PHE  15           HD2      PHE  15  25.298   4.411   6.407
  119    HE1  PHE  15           HE1      PHE  15  27.399  -0.029   7.084
  120    HE2  PHE  15           HE2      PHE  15  27.073   4.128   8.114
  121    HZ   PHE  15           HZ       PHE  15  28.124   1.908   8.453
  122    H    ILE  16           H        ILE  16  23.133   1.643   1.997
  123    HA   ILE  16           HA       ILE  16  24.693  -0.802   1.552
  124    HB   ILE  16           HB       ILE  16  21.998   0.027   0.436
  125   1HG1  ILE  16          1HG1      ILE  16  22.021  -0.015   2.909
  126   2HG1  ILE  16          2HG1      ILE  16  21.052  -1.335   2.260
  127   1HG2  ILE  16          1HG2      ILE  16  23.668  -2.421   0.239
  128   2HG2  ILE  16          2HG2      ILE  16  21.951  -2.677   0.554
  129   3HG2  ILE  16          3HG2      ILE  16  22.461  -1.786  -0.879
  130   1HD1  ILE  16          1HD1      ILE  16  23.152  -2.789   2.469
  131   2HD1  ILE  16          2HD1      ILE  16  23.840  -1.478   3.427
  132   3HD1  ILE  16          3HD1      ILE  16  22.388  -2.308   3.984
  133    H    TYR  17           H        TYR  17  24.028   2.166  -0.156
  134    HA   TYR  17           HA       TYR  17  24.460   1.297  -2.838
  135   1HB   TYR  17          1HB       TYR  17  23.721   3.633  -1.787
  136   2HB   TYR  17          2HB       TYR  17  25.440   3.982  -1.958
  137    HD1  TYR  17           HD1      TYR  17  22.418   2.849  -3.823
  138    HD2  TYR  17           HD2      TYR  17  26.393   4.459  -4.080
  139    HE1  TYR  17           HE1      TYR  17  22.092   3.268  -6.245
  140    HE2  TYR  17           HE2      TYR  17  26.066   4.879  -6.502
  141    HH   TYR  17           HH       TYR  17  23.638   5.256  -7.989
  142    H    PHE  18           H        PHE  18  26.744   2.638  -0.446
  143    HA   PHE  18           HA       PHE  18  29.047   2.172  -2.187
  144   1HB   PHE  18          1HB       PHE  18  28.732   4.006  -0.372
  145   2HB   PHE  18          2HB       PHE  18  29.188   2.741   0.765
  146    HD1  PHE  18           HD1      PHE  18  31.404   1.649   0.625
  147    HD2  PHE  18           HD2      PHE  18  30.357   4.967  -1.896
  148    HE1  PHE  18           HE1      PHE  18  33.797   1.984   0.071
  149    HE2  PHE  18           HE2      PHE  18  32.752   5.302  -2.449
  150    HZ   PHE  18           HZ       PHE  18  34.472   3.810  -1.465
  151    H    ALA  19           H        ALA  19  27.692   0.730   0.731
  152    HA   ALA  19           HA       ALA  19  29.606  -1.106   1.534
  153   1HB   ALA  19          1HB       ALA  19  26.615  -1.278   1.355
  154   2HB   ALA  19          2HB       ALA  19  27.548  -2.651   1.949
  155   3HB   ALA  19          3HB       ALA  19  27.630  -1.101   2.787
  156    H    ALA  20           H        ALA  20  27.316  -1.526  -1.110
  157    HA   ALA  20           HA       ALA  20  27.754  -4.180  -1.854
  158   1HB   ALA  20          1HB       ALA  20  27.375  -1.770  -3.642
  159   2HB   ALA  20          2HB       ALA  20  27.229  -3.441  -4.184
  160   3HB   ALA  20          3HB       ALA  20  26.106  -2.803  -2.983
  161    H    LEU  21           H        LEU  21  29.554  -1.382  -3.088
  162    HA   LEU  21           HA       LEU  21  31.547  -3.114  -4.371
  163   1HB   LEU  21          1HB       LEU  21  31.159  -0.135  -4.158
  164   2HB   LEU  21          2HB       LEU  21  32.626  -0.824  -4.857
  165    HG   LEU  21           HG       LEU  21  29.892  -1.703  -5.786
  166   1HD1  LEU  21          1HD1      LEU  21  30.507   0.893  -5.949
  167   2HD1  LEU  21          2HD1      LEU  21  31.437   0.329  -7.337
  168   3HD1  LEU  21          3HD1      LEU  21  29.696   0.053  -7.271
  169   1HD2  LEU  21          1HD2      LEU  21  32.730  -1.871  -6.779
  170   2HD2  LEU  21          2HD2      LEU  21  31.542  -3.162  -6.598
  171   3HD2  LEU  21          3HD2      LEU  21  31.384  -1.998  -7.913
  172    H    SER  22           H        SER  22  31.182  -1.799  -1.249
  173    HA   SER  22           HA       SER  22  33.732  -1.019  -0.443
  174   1HB   SER  22          1HB       SER  22  31.943  -0.816   1.111
  175   2HB   SER  22          2HB       SER  22  31.595  -2.540   1.049
  176    HG   SER  22           HG       SER  22  33.213  -1.273   2.693
  177    HA   PRO  23           HA       PRO  23  34.887  -5.669   0.516
  178   1HB   PRO  23          1HB       PRO  23  33.501  -7.582  -0.859
  179   2HB   PRO  23          2HB       PRO  23  33.070  -7.029   0.756
  180   1HG   PRO  23          1HG       PRO  23  31.827  -6.352  -1.847
  181   2HG   PRO  23          2HG       PRO  23  31.076  -6.554  -0.253
  182   1HD   PRO  23          1HD       PRO  23  31.600  -4.122  -1.379
  183   2HD   PRO  23          2HD       PRO  23  31.484  -4.391   0.364
  184    H    ALA  24           H        ALA  24  33.448  -5.637  -2.718
  185    HA   ALA  24           HA       ALA  24  35.412  -6.953  -4.179
  186   1HB   ALA  24          1HB       ALA  24  33.151  -5.701  -4.869
  187   2HB   ALA  24          2HB       ALA  24  34.302  -4.482  -5.417
  188   3HB   ALA  24          3HB       ALA  24  34.383  -6.122  -6.058
  189    H    ILE  25           H        ILE  25  35.604  -3.690  -2.876
  190    HA   ILE  25           HA       ILE  25  37.978  -2.993  -4.443
  191    HB   ILE  25           HB       ILE  25  36.833  -1.630  -1.984
  192   1HG1  ILE  25          1HG1      ILE  25  36.487  -0.609  -4.779
  193   2HG1  ILE  25          2HG1      ILE  25  35.432  -1.911  -4.228
  194   1HG2  ILE  25          1HG2      ILE  25  38.819  -0.774  -4.110
  195   2HG2  ILE  25          2HG2      ILE  25  38.066   0.345  -2.974
  196   3HG2  ILE  25          3HG2      ILE  25  39.117  -0.941  -2.380
  197   1HD1  ILE  25          1HD1      ILE  25  35.840   0.733  -2.795
  198   2HD1  ILE  25          2HD1      ILE  25  34.439   0.320  -3.783
  199   3HD1  ILE  25          3HD1      ILE  25  34.753  -0.560  -2.288
  200    H    THR  26           H        THR  26  37.282  -4.014  -1.105
  201    HA   THR  26           HA       THR  26  39.924  -3.792  -0.073
  202    HB   THR  26           HB       THR  26  37.849  -5.875   0.674
  203    HG1  THR  26           HG1      THR  26  38.256  -3.285   1.747
  204   1HG2  THR  26          1HG2      THR  26  40.141  -4.618   2.210
  205   2HG2  THR  26          2HG2      THR  26  38.960  -5.739   2.886
  206   3HG2  THR  26          3HG2      THR  26  40.070  -6.281   1.628
  207    H    PHE  27           H        PHE  27  38.453  -6.203  -2.145
  208    HA   PHE  27           HA       PHE  27  40.460  -8.248  -1.742
  209   1HB   PHE  27          1HB       PHE  27  38.050  -7.909  -3.281
  210   2HB   PHE  27          2HB       PHE  27  39.325  -8.482  -4.354
  211    HD1  PHE  27           HD1      PHE  27  38.292  -9.120  -0.792
  212    HD2  PHE  27           HD2      PHE  27  39.393 -10.790  -4.594
  213    HE1  PHE  27           HE1      PHE  27  38.052 -11.406   0.141
  214    HE2  PHE  27           HE2      PHE  27  39.153 -13.074  -3.660
  215    HZ   PHE  27           HZ       PHE  27  38.482 -13.383  -1.293
  216    H    GLY  28           H        GLY  28  42.280  -8.711  -3.038
  217   1HA   GLY  28          1HA       GLY  28  43.069  -7.586  -5.453
  218   2HA   GLY  28          2HA       GLY  28  43.588  -6.416  -4.240
  219    H    GLY  29           H        GLY  29  43.621  -9.990  -4.547
  220   1HA   GLY  29          1HA       GLY  29  46.534  -9.913  -3.956
  221   2HA   GLY  29          2HA       GLY  29  45.491 -10.996  -3.036
  222    H    LEU  30           H        LEU  30  44.029 -12.402  -4.548
  223    HA   LEU  30           HA       LEU  30  45.841 -13.759  -6.436
  224   1HB   LEU  30          1HB       LEU  30  43.516 -14.478  -4.834
  225   2HB   LEU  30          2HB       LEU  30  43.324 -15.022  -6.500
  226    HG   LEU  30           HG       LEU  30  45.843 -15.518  -4.898
  227   1HD1  LEU  30          1HD1      LEU  30  43.915 -16.596  -3.784
  228   2HD1  LEU  30          2HD1      LEU  30  43.466 -17.358  -5.309
  229   3HD1  LEU  30          3HD1      LEU  30  44.980 -17.795  -4.519
  230   1HD2  LEU  30          1HD2      LEU  30  45.598 -15.618  -7.533
  231   2HD2  LEU  30          2HD2      LEU  30  46.493 -16.873  -6.675
  232   3HD2  LEU  30          3HD2      LEU  30  44.832 -17.169  -7.189
  233    H    LEU  31           H        LEU  31  45.816 -13.285  -8.575
  234    HA   LEU  31           HA       LEU  31  43.657 -11.609  -9.671
  235   1HB   LEU  31          1HB       LEU  31  46.423 -12.071 -10.269
  236   2HB   LEU  31          2HB       LEU  31  45.486 -12.476 -11.707
  237    HG   LEU  31           HG       LEU  31  44.263 -10.244 -11.331
  238   1HD1  LEU  31          1HD1      LEU  31  45.354 -10.137  -8.953
  239   2HD1  LEU  31          2HD1      LEU  31  46.745  -9.477  -9.814
  240   3HD1  LEU  31          3HD1      LEU  31  45.189  -8.649  -9.886
  241   1HD2  LEU  31          1HD2      LEU  31  47.091 -10.634 -12.241
  242   2HD2  LEU  31          2HD2      LEU  31  45.666 -10.191 -13.180
  243   3HD2  LEU  31          3HD2      LEU  31  46.460  -8.989 -12.163
  244    H    GLY  32           H        GLY  32  45.014 -14.862 -10.215
  245   1HA   GLY  32          1HA       GLY  32  42.658 -16.238 -10.672
  246   2HA   GLY  32          2HA       GLY  32  43.039 -15.536 -12.246
  247    H    GLU  33           H        GLU  33  43.288 -18.333 -10.689
  248    HA   GLU  33           HA       GLU  33  46.060 -19.070 -11.041
  249   1HB   GLU  33          1HB       GLU  33  44.414 -20.252  -9.538
  250   2HB   GLU  33          2HB       GLU  33  43.642 -20.899 -10.987
  251   1HG   GLU  33          1HG       GLU  33  45.718 -22.004 -11.647
  252   2HG   GLU  33          2HG       GLU  33  46.563 -21.290 -10.271
  253    H    LYS  34           H        LYS  34  43.112 -19.610 -12.981
  254    HA   LYS  34           HA       LYS  34  44.834 -19.894 -15.377
  255   1HB   LYS  34          1HB       LYS  34  42.721 -21.859 -14.464
  256   2HB   LYS  34          2HB       LYS  34  43.315 -21.800 -16.123
  257   1HG   LYS  34          1HG       LYS  34  45.626 -21.799 -14.494
  258   2HG   LYS  34          2HG       LYS  34  44.546 -23.000 -13.787
  259   1HD   LYS  34          1HD       LYS  34  45.846 -24.154 -15.436
  260   2HD   LYS  34          2HD       LYS  34  44.241 -23.935 -16.135
  261   1HE   LYS  34          1HE       LYS  34  45.411 -23.102 -17.910
  262   2HE   LYS  34          2HE       LYS  34  45.441 -21.629 -16.941
  263   1HZ   LYS  34          1HZ       LYS  34  47.518 -23.715 -16.675
  264   2HZ   LYS  34          2HZ       LYS  34  47.642 -22.473 -17.827
  265   3HZ   LYS  34          3HZ       LYS  34  47.581 -22.097 -16.171
  Start of MODEL   16
    1   1H    ACE   1          HA1       ACE   1  26.100 -15.336 -20.583
    2   2H    ACE   1          HA2       ACE   1  26.482 -14.774 -22.211
    3   3H    ACE   1          HA3       ACE   1  25.428 -13.815 -21.171
    4    H    ARG   2           H        ARG   2  26.665 -11.952 -20.996
    5    HA   ARG   2           HA       ARG   2  29.528 -11.998 -20.541
    6   1HB   ARG   2          1HB       ARG   2  27.389  -9.935 -20.692
    7   2HB   ARG   2          2HB       ARG   2  28.839  -9.505 -19.788
    8   1HG   ARG   2          1HG       ARG   2  30.009  -9.208 -21.689
    9   2HG   ARG   2          2HG       ARG   2  29.585 -10.822 -22.257
   10   1HD   ARG   2          1HD       ARG   2  27.424  -8.791 -22.396
   11   2HD   ARG   2          2HD       ARG   2  28.777  -8.558 -23.504
   12    HE   ARG   2           HE       ARG   2  28.096 -11.255 -23.751
   13   1HH1  ARG   2          1HH1      ARG   2  25.312 -10.245 -23.184
   14   2HH1  ARG   2          2HH1      ARG   2  24.737  -9.883 -24.778
   15   1HH2  ARG   2          1HH2      ARG   2  27.899  -9.907 -26.207
   16   2HH2  ARG   2          2HH2      ARG   2  26.204  -9.687 -26.490
   17    H    TYR   3           H        TYR   3  26.777 -11.075 -18.462
   18    HA   TYR   3           HA       TYR   3  28.084 -12.266 -16.126
   19   1HB   TYR   3          1HB       TYR   3  27.703  -9.275 -16.408
   20   2HB   TYR   3          2HB       TYR   3  27.891 -10.066 -14.842
   21    HD1  TYR   3           HD1      TYR   3  29.957 -11.608 -14.539
   22    HD2  TYR   3           HD2      TYR   3  29.597  -8.686 -17.666
   23    HE1  TYR   3           HE1      TYR   3  32.417 -11.636 -14.847
   24    HE2  TYR   3           HE2      TYR   3  32.059  -8.713 -17.974
   25    HH   TYR   3           HH       TYR   3  33.999 -11.002 -17.061
   26    HA   PRO   4           HA       PRO   4  23.455 -12.381 -16.006
   27   1HB   PRO   4          1HB       PRO   4  23.248 -15.073 -15.627
   28   2HB   PRO   4          2HB       PRO   4  23.344 -14.317 -17.224
   29   1HG   PRO   4          1HG       PRO   4  25.373 -15.872 -15.766
   30   2HG   PRO   4          2HG       PRO   4  25.206 -15.581 -17.503
   31   1HD   PRO   4          1HD       PRO   4  27.007 -14.294 -15.729
   32   2HD   PRO   4          2HD       PRO   4  26.702 -13.887 -17.425
   33    H    TYR   5           H        TYR   5  24.735 -15.065 -14.061
   34    HA   TYR   5           HA       TYR   5  23.323 -14.135 -11.709
   35   1HB   TYR   5          1HB       TYR   5  24.160 -16.568 -12.480
   36   2HB   TYR   5          2HB       TYR   5  25.520 -16.130 -11.447
   37    HD1  TYR   5           HD1      TYR   5  21.809 -16.455 -11.533
   38    HD2  TYR   5           HD2      TYR   5  25.318 -16.124  -9.076
   39    HE1  TYR   5           HE1      TYR   5  20.450 -16.969  -9.525
   40    HE2  TYR   5           HE2      TYR   5  23.957 -16.638  -7.067
   41    HH   TYR   5           HH       TYR   5  20.702 -17.779  -7.291
   42    H    TYR   6           H        TYR   6  26.553 -13.708 -12.965
   43    HA   TYR   6           HA       TYR   6  27.917 -13.026 -10.555
   44   1HB   TYR   6          1HB       TYR   6  29.001 -13.444 -12.779
   45   2HB   TYR   6          2HB       TYR   6  28.386 -11.885 -13.326
   46    HD1  TYR   6           HD1      TYR   6  29.061  -9.785 -12.038
   47    HD2  TYR   6           HD2      TYR   6  30.977 -13.589 -11.486
   48    HE1  TYR   6           HE1      TYR   6  31.006  -8.654 -10.994
   49    HE2  TYR   6           HE2      TYR   6  32.922 -12.459 -10.443
   50    HH   TYR   6           HH       TYR   6  32.960  -9.700  -9.145
   51    H    LEU   7           H        LEU   7  25.700 -11.217 -12.585
   52    HA   LEU   7           HA       LEU   7  26.350  -8.591 -11.615
   53   1HB   LEU   7          1HB       LEU   7  24.776  -9.489 -13.609
   54   2HB   LEU   7          2HB       LEU   7  23.539  -9.184 -12.388
   55    HG   LEU   7           HG       LEU   7  25.648  -7.166 -13.198
   56   1HD1  LEU   7          1HD1      LEU   7  23.152  -7.942 -14.493
   57   2HD1  LEU   7          2HD1      LEU   7  23.115  -6.253 -13.989
   58   3HD1  LEU   7          3HD1      LEU   7  24.400  -6.828 -15.050
   59   1HD2  LEU   7          1HD2      LEU   7  23.413  -7.269 -11.229
   60   2HD2  LEU   7          2HD2      LEU   7  24.955  -6.419 -11.135
   61   3HD2  LEU   7          3HD2      LEU   7  23.638  -5.750 -12.097
   62    H    SER   8           H        SER   8  24.347 -11.178 -10.354
   63    HA   SER   8           HA       SER   8  22.836  -9.613  -8.479
   64   1HB   SER   8          1HB       SER   8  22.288 -11.735  -7.437
   65   2HB   SER   8          2HB       SER   8  22.277 -11.951  -9.185
   66    HG   SER   8           HG       SER   8  23.900 -13.050  -7.277
   67    H    ASP   9           H        ASP   9  26.109 -10.850  -8.423
   68    HA   ASP   9           HA       ASP   9  26.439 -10.685  -5.543
   69   1HB   ASP   9          1HB       ASP   9  27.876 -11.892  -7.475
   70   2HB   ASP   9          2HB       ASP   9  28.811 -10.404  -7.317
   71    H    ILE  10           H        ILE  10  27.246  -8.528  -8.265
   72    HA   ILE  10           HA       ILE  10  28.522  -6.522  -6.639
   73    HB   ILE  10           HB       ILE  10  27.128  -6.163  -9.309
   74   1HG1  ILE  10          1HG1      ILE  10  28.775  -7.986  -9.433
   75   2HG1  ILE  10          2HG1      ILE  10  29.377  -6.567 -10.286
   76   1HG2  ILE  10          1HG2      ILE  10  27.844  -4.132  -7.883
   77   2HG2  ILE  10          2HG2      ILE  10  29.498  -4.633  -8.238
   78   3HG2  ILE  10          3HG2      ILE  10  28.408  -4.193  -9.553
   79   1HD1  ILE  10          1HD1      ILE  10  30.341  -6.109  -7.767
   80   2HD1  ILE  10          2HD1      ILE  10  30.402  -7.870  -7.839
   81   3HD1  ILE  10          3HD1      ILE  10  31.258  -6.907  -9.045
   82    H    THR  11           H        THR  11  25.195  -6.797  -7.924
   83    HA   THR  11           HA       THR  11  24.223  -4.353  -6.805
   84    HB   THR  11           HB       THR  11  21.979  -5.775  -6.857
   85    HG1  THR  11           HG1      THR  11  22.803  -7.780  -7.123
   86   1HG2  THR  11          1HG2      THR  11  23.656  -4.652  -9.056
   87   2HG2  THR  11          2HG2      THR  11  22.210  -5.555  -9.503
   88   3HG2  THR  11          3HG2      THR  11  22.076  -4.130  -8.472
   89    H    ASP  12           H        ASP  12  24.555  -7.611  -5.465
   90    HA   ASP  12           HA       ASP  12  23.071  -7.132  -3.048
   91   1HB   ASP  12          1HB       ASP  12  25.049  -9.161  -3.998
   92   2HB   ASP  12          2HB       ASP  12  24.778  -9.038  -2.260
   93    H    VAL  13           H        VAL  13  26.420  -6.598  -4.004
   94    HA   VAL  13           HA       VAL  13  27.444  -5.973  -1.396
   95    HB   VAL  13           HB       VAL  13  28.379  -5.029  -4.112
   96   1HG1  VAL  13          1HG1      VAL  13  29.687  -5.033  -1.382
   97   2HG1  VAL  13          2HG1      VAL  13  30.598  -4.849  -2.881
   98   3HG1  VAL  13          3HG1      VAL  13  29.392  -3.645  -2.428
   99   1HG2  VAL  13          1HG2      VAL  13  28.223  -7.608  -3.285
  100   2HG2  VAL  13          2HG2      VAL  13  29.491  -7.014  -4.356
  101   3HG2  VAL  13          3HG2      VAL  13  29.798  -7.169  -2.626
  102    H    ILE  14           H        ILE  14  25.863  -4.061  -3.910
  103    HA   ILE  14           HA       ILE  14  26.299  -1.501  -2.626
  104    HB   ILE  14           HB       ILE  14  24.191  -2.316  -4.656
  105   1HG1  ILE  14          1HG1      ILE  14  26.474  -2.783  -5.454
  106   2HG1  ILE  14          2HG1      ILE  14  25.783  -1.416  -6.323
  107   1HG2  ILE  14          1HG2      ILE  14  25.033   0.278  -3.442
  108   2HG2  ILE  14          2HG2      ILE  14  24.679   0.276  -5.170
  109   3HG2  ILE  14          3HG2      ILE  14  23.445  -0.231  -4.016
  110   1HD1  ILE  14          1HD1      ILE  14  26.977  -0.103  -4.268
  111   2HD1  ILE  14          2HD1      ILE  14  28.055  -1.490  -4.415
  112   3HD1  ILE  14          3HD1      ILE  14  27.783  -0.434  -5.800
  113    H    PHE  15           H        PHE  15  23.955  -4.062  -2.252
  114    HA   PHE  15           HA       PHE  15  21.857  -2.535  -1.023
  115   1HB   PHE  15          1HB       PHE  15  21.765  -4.936  -1.932
  116   2HB   PHE  15          2HB       PHE  15  22.507  -5.420  -0.408
  117    HD1  PHE  15           HD1      PHE  15  19.597  -3.553  -1.828
  118    HD2  PHE  15           HD2      PHE  15  21.202  -5.688   1.536
  119    HE1  PHE  15           HE1      PHE  15  17.379  -3.474  -0.720
  120    HE2  PHE  15           HE2      PHE  15  18.985  -5.609   2.644
  121    HZ   PHE  15           HZ       PHE  15  17.074  -4.502   1.517
  122    H    ILE  16           H        ILE  16  24.417  -4.574   0.438
  123    HA   ILE  16           HA       ILE  16  23.791  -3.757   3.135
  124    HB   ILE  16           HB       ILE  16  26.371  -4.938   2.066
  125   1HG1  ILE  16          1HG1      ILE  16  24.116  -6.471   3.350
  126   2HG1  ILE  16          2HG1      ILE  16  24.108  -6.158   1.615
  127   1HG2  ILE  16          1HG2      ILE  16  25.203  -4.481   4.790
  128   2HG2  ILE  16          2HG2      ILE  16  26.194  -5.916   4.523
  129   3HG2  ILE  16          3HG2      ILE  16  26.873  -4.311   4.248
  130   1HD1  ILE  16          1HD1      ILE  16  26.495  -7.366   3.018
  131   2HD1  ILE  16          2HD1      ILE  16  25.192  -8.355   2.358
  132   3HD1  ILE  16          3HD1      ILE  16  26.153  -7.334   1.287
  133    H    TYR  17           H        TYR  17  25.752  -2.368   0.606
  134    HA   TYR  17           HA       TYR  17  27.481  -0.792   2.278
  135   1HB   TYR  17          1HB       TYR  17  27.051  -1.180  -0.516
  136   2HB   TYR  17          2HB       TYR  17  26.931   0.552  -0.214
  137    HD1  TYR  17           HD1      TYR  17  29.070  -2.421   0.565
  138    HD2  TYR  17           HD2      TYR  17  28.880   1.837   0.032
  139    HE1  TYR  17           HE1      TYR  17  31.538  -2.285   0.771
  140    HE2  TYR  17           HE2      TYR  17  31.349   1.973   0.238
  141    HH   TYR  17           HH       TYR  17  33.216  -0.383   1.510
  142    H    PHE  18           H        PHE  18  24.709   0.323   0.302
  143    HA   PHE  18           HA       PHE  18  24.458   2.846   1.592
  144   1HB   PHE  18          1HB       PHE  18  22.888   1.215  -0.285
  145   2HB   PHE  18          2HB       PHE  18  21.893   2.254   0.733
  146    HD1  PHE  18           HD1      PHE  18  23.042   4.711   1.093
  147    HD2  PHE  18           HD2      PHE  18  23.574   2.135  -2.304
  148    HE1  PHE  18           HE1      PHE  18  23.681   6.667  -0.291
  149    HE2  PHE  18           HE2      PHE  18  24.212   4.092  -3.687
  150    HZ   PHE  18           HZ       PHE  18  24.266   6.358  -2.680
  151    H    ALA  19           H        ALA  19  23.422  -0.319   2.611
  152    HA   ALA  19           HA       ALA  19  21.325   0.505   4.409
  153   1HB   ALA  19          1HB       ALA  19  23.011  -1.955   4.076
  154   2HB   ALA  19          2HB       ALA  19  22.025  -1.776   5.527
  155   3HB   ALA  19          3HB       ALA  19  21.262  -1.776   3.937
  156    H    ALA  20           H        ALA  20  24.657  -0.578   5.143
  157    HA   ALA  20           HA       ALA  20  24.676   0.149   7.880
  158   1HB   ALA  20          1HB       ALA  20  26.864  -0.035   5.808
  159   2HB   ALA  20          2HB       ALA  20  27.201   0.319   7.502
  160   3HB   ALA  20          3HB       ALA  20  26.449  -1.213   7.055
  161    H    LEU  21           H        LEU  21  25.668   1.984   5.041
  162    HA   LEU  21           HA       LEU  21  26.510   4.330   6.487
  163   1HB   LEU  21          1HB       LEU  21  25.786   3.854   3.592
  164   2HB   LEU  21          2HB       LEU  21  26.379   5.403   4.191
  165    HG   LEU  21           HG       LEU  21  27.928   2.962   4.927
  166   1HD1  LEU  21          1HD1      LEU  21  27.275   2.949   2.392
  167   2HD1  LEU  21          2HD1      LEU  21  28.424   4.281   2.270
  168   3HD1  LEU  21          3HD1      LEU  21  28.963   2.703   2.842
  169   1HD2  LEU  21          1HD2      LEU  21  28.458   5.329   5.663
  170   2HD2  LEU  21          2HD2      LEU  21  29.778   4.508   4.828
  171   3HD2  LEU  21          3HD2      LEU  21  28.801   5.703   3.974
  172    H    SER  22           H        SER  22  23.357   3.251   5.414
  173    HA   SER  22           HA       SER  22  21.970   5.671   5.085
  174   1HB   SER  22          1HB       SER  22  21.207   2.950   5.988
  175   2HB   SER  22          2HB       SER  22  20.078   4.241   6.374
  176    HG   SER  22           HG       SER  22  19.784   4.629   4.272
  177    HA   PRO  23           HA       PRO  23  21.108   5.900   9.893
  178   1HB   PRO  23          1HB       PRO  23  22.621   4.272  11.493
  179   2HB   PRO  23          2HB       PRO  23  21.023   3.848  10.886
  180   1HG   PRO  23          1HG       PRO  23  23.689   2.957   9.924
  181   2HG   PRO  23          2HG       PRO  23  22.169   2.052  10.036
  182   1HD   PRO  23          1HD       PRO  23  23.100   3.068   7.689
  183   2HD   PRO  23          2HD       PRO  23  21.379   2.850   8.030
  184    H    ALA  24           H        ALA  24  24.452   4.746   9.631
  185    HA   ALA  24           HA       ALA  24  25.729   6.573  11.304
  186   1HB   ALA  24          1HB       ALA  24  26.772   5.494   8.672
  187   2HB   ALA  24          2HB       ALA  24  27.762   6.207   9.945
  188   3HB   ALA  24          3HB       ALA  24  26.897   4.699  10.241
  189    H    ILE  25           H        ILE  25  24.467   7.210   8.089
  190    HA   ILE  25           HA       ILE  25  25.842   9.816   7.950
  191    HB   ILE  25           HB       ILE  25  23.867   8.512   6.044
  192   1HG1  ILE  25          1HG1      ILE  25  26.847   8.937   5.709
  193   2HG1  ILE  25          2HG1      ILE  25  26.172   7.447   6.368
  194   1HG2  ILE  25          1HG2      ILE  25  25.156  11.186   6.135
  195   2HG2  ILE  25          2HG2      ILE  25  25.244  10.361   4.580
  196   3HG2  ILE  25          3HG2      ILE  25  23.676  10.680   5.322
  197   1HD1  ILE  25          1HD1      ILE  25  25.324   8.614   3.707
  198   2HD1  ILE  25          2HD1      ILE  25  26.597   7.406   3.867
  199   3HD1  ILE  25          3HD1      ILE  25  24.946   7.015   4.341
  200    H    THR  26           H        THR  26  22.621   8.526   8.599
  201    HA   THR  26           HA       THR  26  21.096  10.895   8.375
  202    HB   THR  26           HB       THR  26  20.643   8.860  10.556
  203    HG1  THR  26           HG1      THR  26  19.490   7.736   8.836
  204   1HG2  THR  26          1HG2      THR  26  18.998  10.793   8.958
  205   2HG2  THR  26          2HG2      THR  26  18.240   9.328   9.583
  206   3HG2  THR  26          3HG2      THR  26  18.979  10.482  10.693
  207    H    PHE  27           H        PHE  27  22.768   9.629  11.287
  208    HA   PHE  27           HA       PHE  27  22.194  12.124  12.730
  209   1HB   PHE  27          1HB       PHE  27  22.173   9.904  13.886
  210   2HB   PHE  27          2HB       PHE  27  23.907   9.773  13.588
  211    HD1  PHE  27           HD1      PHE  27  21.546  12.435  14.806
  212    HD2  PHE  27           HD2      PHE  27  25.239  10.328  15.409
  213    HE1  PHE  27           HE1      PHE  27  22.001  13.811  16.818
  214    HE2  PHE  27           HE2      PHE  27  25.696  11.704  17.420
  215    HZ   PHE  27           HZ       PHE  27  24.077  13.445  18.126
  216    H    GLY  28           H        GLY  28  25.145  10.380  11.688
  217   1HA   GLY  28          1HA       GLY  28  26.896  11.734  10.525
  218   2HA   GLY  28          2HA       GLY  28  26.550  13.011  11.689
  219    H    GLY  29           H        GLY  29  28.305  13.167  13.015
  220   1HA   GLY  29          1HA       GLY  29  28.952  11.336  15.004
  221   2HA   GLY  29          2HA       GLY  29  29.988  10.888  13.650
  222    H    LEU  30           H        LEU  30  28.968  13.905  15.309
  223    HA   LEU  30           HA       LEU  30  31.430  15.279  14.648
  224   1HB   LEU  30          1HB       LEU  30  28.923  15.928  15.879
  225   2HB   LEU  30          2HB       LEU  30  30.205  16.429  16.979
  226    HG   LEU  30           HG       LEU  30  30.647  17.072  14.114
  227   1HD1  LEU  30          1HD1      LEU  30  28.335  18.112  15.712
  228   2HD1  LEU  30          2HD1      LEU  30  29.199  19.227  14.654
  229   3HD1  LEU  30          3HD1      LEU  30  28.441  17.783  13.983
  230   1HD2  LEU  30          1HD2      LEU  30  31.989  17.706  16.298
  231   2HD2  LEU  30          2HD2      LEU  30  31.804  18.891  15.006
  232   3HD2  LEU  30          3HD2      LEU  30  30.774  18.977  16.434
  233    H    LEU  31           H        LEU  31  33.367  14.801  15.549
  234    HA   LEU  31           HA       LEU  31  33.470  13.309  18.091
  235   1HB   LEU  31          1HB       LEU  31  35.772  14.238  16.349
  236   2HB   LEU  31          2HB       LEU  31  35.823  13.005  17.608
  237    HG   LEU  31           HG       LEU  31  34.034  12.789  15.175
  238   1HD1  LEU  31          1HD1      LEU  31  36.697  12.851  14.909
  239   2HD1  LEU  31          2HD1      LEU  31  36.533  11.176  15.434
  240   3HD1  LEU  31          3HD1      LEU  31  35.699  11.730  13.982
  241   1HD2  LEU  31          1HD2      LEU  31  33.907  11.442  17.523
  242   2HD2  LEU  31          2HD2      LEU  31  33.483  10.710  15.976
  243   3HD2  LEU  31          3HD2      LEU  31  35.081  10.440  16.670
  244    H    GLY  32           H        GLY  32  35.373  16.105  16.900
  245   1HA   GLY  32          1HA       GLY  32  35.827  17.039  19.623
  246   2HA   GLY  32          2HA       GLY  32  36.337  17.860  18.148
  247    H    GLU  33           H        GLU  33  35.181  19.225  20.347
  248    HA   GLU  33           HA       GLU  33  32.363  19.740  19.722
  249   1HB   GLU  33          1HB       GLU  33  33.288  19.837  22.060
  250   2HB   GLU  33          2HB       GLU  33  34.206  21.265  21.582
  251   1HG   GLU  33          1HG       GLU  33  32.356  22.392  22.293
  252   2HG   GLU  33          2HG       GLU  33  31.719  21.959  20.707
  253    H    LYS  34           H        LYS  34  35.176  21.942  19.971
  254    HA   LYS  34           HA       LYS  34  34.032  23.470  17.679
  255   1HB   LYS  34          1HB       LYS  34  35.317  24.301  20.234
  256   2HB   LYS  34          2HB       LYS  34  35.695  25.263  18.805
  257   1HG   LYS  34          1HG       LYS  34  33.364  25.717  18.399
  258   2HG   LYS  34          2HG       LYS  34  32.869  24.568  19.643
  259   1HD   LYS  34          1HD       LYS  34  33.775  25.944  21.393
  260   2HD   LYS  34          2HD       LYS  34  34.571  27.002  20.228
  261   1HE   LYS  34          1HE       LYS  34  31.967  27.135  19.380
  262   2HE   LYS  34          2HE       LYS  34  31.760  26.970  21.124
  263   1HZ   LYS  34          1HZ       LYS  34  33.673  28.899  19.961
  264   2HZ   LYS  34          2HZ       LYS  34  32.042  29.300  20.201
  265   3HZ   LYS  34          3HZ       LYS  34  33.016  28.875  21.527
  Start of MODEL   17
    1   1H    ACE   1          HA1       ACE   1  36.341  -1.340 -19.565
    2   2H    ACE   1          HA2       ACE   1  35.526  -1.717 -18.046
    3   3H    ACE   1          HA3       ACE   1  34.782  -0.605 -19.195
    4    H    ARG   2           H        ARG   2  34.161  -3.472 -18.023
    5    HA   ARG   2           HA       ARG   2  33.930  -5.047 -20.479
    6   1HB   ARG   2          1HB       ARG   2  33.265  -5.498 -17.588
    7   2HB   ARG   2          2HB       ARG   2  32.560  -6.553 -18.814
    8   1HG   ARG   2          1HG       ARG   2  34.554  -7.667 -18.293
    9   2HG   ARG   2          2HG       ARG   2  35.012  -6.723 -19.711
   10   1HD   ARG   2          1HD       ARG   2  35.458  -4.955 -17.619
   11   2HD   ARG   2          2HD       ARG   2  35.956  -6.505 -16.945
   12    HE   ARG   2           HE       ARG   2  37.416  -6.713 -19.039
   13   1HH1  ARG   2          1HH2      ARG   2  37.807  -4.372 -16.859
   14   2HH1  ARG   2          2HH2      ARG   2  38.469  -3.167 -17.913
   15   1HH2  ARG   2          1HH1      ARG   2  37.636  -4.868 -20.816
   16   2HH2  ARG   2          2HH1      ARG   2  38.374  -3.449 -20.152
   17    H    TYR   3           H        TYR   3  31.229  -4.796 -18.193
   18    HA   TYR   3           HA       TYR   3  29.572  -2.981 -19.547
   19   1HB   TYR   3          1HB       TYR   3  29.970  -5.322 -21.117
   20   2HB   TYR   3          2HB       TYR   3  28.326  -5.414 -20.491
   21    HD1  TYR   3           HD1      TYR   3  26.876  -3.253 -20.695
   22    HD2  TYR   3           HD2      TYR   3  30.442  -3.979 -22.975
   23    HE1  TYR   3           HE1      TYR   3  26.143  -1.582 -22.375
   24    HE2  TYR   3           HE2      TYR   3  29.711  -2.307 -24.653
   25    HH   TYR   3           HH       TYR   3  27.423  -0.053 -24.124
   26    HA   PRO   4           HA       PRO   4  26.912  -5.815 -16.729
   27   1HB   PRO   4          1HB       PRO   4  27.730  -8.369 -16.231
   28   2HB   PRO   4          2HB       PRO   4  26.801  -7.906 -17.662
   29   1HG   PRO   4          1HG       PRO   4  29.572  -8.775 -17.485
   30   2HG   PRO   4          2HG       PRO   4  28.549  -8.585 -18.919
   31   1HD   PRO   4          1HD       PRO   4  30.575  -6.768 -17.866
   32   2HD   PRO   4          2HD       PRO   4  29.733  -6.720 -19.420
   33    H    TYR   5           H        TYR   5  29.836  -7.606 -15.808
   34    HA   TYR   5           HA       TYR   5  29.610  -7.247 -13.039
   35   1HB   TYR   5          1HB       TYR   5  31.288  -8.571 -14.765
   36   2HB   TYR   5          2HB       TYR   5  32.360  -7.362 -14.082
   37    HD1  TYR   5           HD1      TYR   5  31.621  -7.037 -11.343
   38    HD2  TYR   5           HD2      TYR   5  31.528 -10.616 -13.715
   39    HE1  TYR   5           HE1      TYR   5  31.809  -8.407  -9.286
   40    HE2  TYR   5           HE2      TYR   5  31.719 -11.985 -11.659
   41    HH   TYR   5           HH       TYR   5  31.005 -11.355  -8.959
   42    H    TYR   6           H        TYR   6  30.803  -5.022 -15.454
   43    HA   TYR   6           HA       TYR   6  32.470  -3.376 -13.852
   44   1HB   TYR   6          1HB       TYR   6  32.181  -3.247 -16.356
   45   2HB   TYR   6          2HB       TYR   6  30.649  -2.419 -16.070
   46    HD1  TYR   6           HD1      TYR   6  34.289  -2.252 -15.207
   47    HD2  TYR   6           HD2      TYR   6  30.608  -0.097 -15.722
   48    HE1  TYR   6           HE1      TYR   6  35.500  -0.110 -14.902
   49    HE2  TYR   6           HE2      TYR   6  31.820   2.045 -15.416
   50    HH   TYR   6           HH       TYR   6  35.051   2.380 -15.682
   51    H    LEU   7           H        LEU   7  29.005  -2.946 -14.604
   52    HA   LEU   7           HA       LEU   7  28.707  -0.787 -12.684
   53   1HB   LEU   7          1HB       LEU   7  26.545  -2.478 -13.969
   54   2HB   LEU   7          2HB       LEU   7  26.342  -0.890 -13.231
   55    HG   LEU   7           HG       LEU   7  28.236  -1.345 -15.542
   56   1HD1  LEU   7          1HD1      LEU   7  25.279  -0.700 -15.566
   57   2HD1  LEU   7          2HD1      LEU   7  26.344  -0.335 -16.923
   58   3HD1  LEU   7          3HD1      LEU   7  26.107  -2.006 -16.414
   59   1HD2  LEU   7          1HD2      LEU   7  26.949   1.037 -14.197
   60   2HD2  LEU   7          2HD2      LEU   7  28.666   0.722 -14.451
   61   3HD2  LEU   7          3HD2      LEU   7  27.638   1.152 -15.817
   62    H    SER   8           H        SER   8  28.483  -4.265 -12.526
   63    HA   SER   8           HA       SER   8  26.771  -4.560 -10.278
   64   1HB   SER   8          1HB       SER   8  29.182  -6.261 -10.961
   65   2HB   SER   8          2HB       SER   8  27.793  -6.746  -9.993
   66    HG   SER   8           HG       SER   8  26.912  -7.288 -11.813
   67    H    ASP   9           H        ASP   9  30.000  -3.298 -10.466
   68    HA   ASP   9           HA       ASP   9  30.853  -3.907  -7.789
   69   1HB   ASP   9          1HB       ASP   9  31.751  -2.208 -10.019
   70   2HB   ASP   9          2HB       ASP   9  32.132  -1.542  -8.432
   71    H    ILE  10           H        ILE  10  29.007  -1.215  -9.181
   72    HA   ILE  10           HA       ILE  10  28.993   0.308  -6.698
   73    HB   ILE  10           HB       ILE  10  27.147   0.594  -9.081
   74   1HG1  ILE  10          1HG1      ILE  10  29.508   0.668  -9.802
   75   2HG1  ILE  10          2HG1      ILE  10  28.771   2.265  -9.907
   76   1HG2  ILE  10          1HG2      ILE  10  28.014   2.490  -6.880
   77   2HG2  ILE  10          2HG2      ILE  10  27.061   2.964  -8.286
   78   3HG2  ILE  10          3HG2      ILE  10  26.400   1.821  -7.117
   79   1HD1  ILE  10          1HD1      ILE  10  29.851   2.013  -7.280
   80   2HD1  ILE  10          2HD1      ILE  10  31.089   1.467  -8.411
   81   3HD1  ILE  10          3HD1      ILE  10  30.394   3.079  -8.575
   82    H    THR  11           H        THR  11  26.708  -1.869  -8.344
   83    HA   THR  11           HA       THR  11  24.525  -1.473  -6.532
   84    HB   THR  11           HB       THR  11  25.018  -4.137  -7.827
   85    HG1  THR  11           HG1      THR  11  25.248  -3.189  -9.669
   86   1HG2  THR  11          1HG2      THR  11  22.737  -2.444  -6.956
   87   2HG2  THR  11          2HG2      THR  11  22.493  -3.391  -8.425
   88   3HG2  THR  11          3HG2      THR  11  22.919  -4.197  -6.915
   89    H    ASP  12           H        ASP  12  27.384  -3.531  -6.408
   90    HA   ASP  12           HA       ASP  12  26.515  -5.128  -4.157
   91   1HB   ASP  12          1HB       ASP  12  29.014  -4.721  -5.691
   92   2HB   ASP  12          2HB       ASP  12  29.250  -5.172  -4.002
   93    H    VAL  13           H        VAL  13  28.366  -2.135  -4.522
   94    HA   VAL  13           HA       VAL  13  29.105  -1.803  -1.784
   95    HB   VAL  13           HB       VAL  13  28.512   0.351  -3.818
   96   1HG1  VAL  13          1HG1      VAL  13  29.745   0.290  -1.107
   97   2HG1  VAL  13          2HG1      VAL  13  30.499   1.339  -2.308
   98   3HG1  VAL  13          3HG1      VAL  13  28.802   1.563  -1.882
   99   1HG2  VAL  13          1HG2      VAL  13  30.310  -1.646  -4.172
  100   2HG2  VAL  13          2HG2      VAL  13  30.567  -0.006  -4.767
  101   3HG2  VAL  13          3HG2      VAL  13  31.293  -0.516  -3.242
  102    H    ILE  14           H        ILE  14  26.185  -0.951  -3.578
  103    HA   ILE  14           HA       ILE  14  24.966   0.542  -1.418
  104    HB   ILE  14           HB       ILE  14  23.672  -0.806  -3.812
  105   1HG1  ILE  14          1HG1      ILE  14  24.355   2.120  -3.558
  106   2HG1  ILE  14          2HG1      ILE  14  25.556   0.971  -4.146
  107   1HG2  ILE  14          1HG2      ILE  14  22.718   1.446  -2.010
  108   2HG2  ILE  14          2HG2      ILE  14  21.872   0.843  -3.435
  109   3HG2  ILE  14          3HG2      ILE  14  22.074  -0.197  -2.025
  110   1HD1  ILE  14          1HD1      ILE  14  22.881   0.713  -5.385
  111   2HD1  ILE  14          2HD1      ILE  14  23.729   2.216  -5.749
  112   3HD1  ILE  14          3HD1      ILE  14  24.479   0.667  -6.132
  113    H    PHE  15           H        PHE  15  25.148  -2.850  -2.275
  114    HA   PHE  15           HA       PHE  15  22.895  -3.816  -0.813
  115   1HB   PHE  15          1HB       PHE  15  24.439  -5.105  -2.428
  116   2HB   PHE  15          2HB       PHE  15  25.514  -5.302  -1.044
  117    HD1  PHE  15           HD1      PHE  15  22.072  -5.970  -2.291
  118    HD2  PHE  15           HD2      PHE  15  25.027  -6.863   0.699
  119    HE1  PHE  15           HE1      PHE  15  20.675  -7.847  -1.469
  120    HE2  PHE  15           HE2      PHE  15  23.628  -8.740   1.520
  121    HZ   PHE  15           HZ       PHE  15  21.451  -9.231   0.436
  122    H    ILE  16           H        ILE  16  26.335  -3.817   0.205
  123    HA   ILE  16           HA       ILE  16  25.628  -4.308   2.982
  124    HB   ILE  16           HB       ILE  16  28.257  -3.320   1.827
  125   1HG1  ILE  16          1HG1      ILE  16  28.577  -5.989   2.379
  126   2HG1  ILE  16          2HG1      ILE  16  26.907  -5.958   1.815
  127   1HG2  ILE  16          1HG2      ILE  16  27.361  -4.363   4.497
  128   2HG2  ILE  16          2HG2      ILE  16  29.003  -4.704   3.949
  129   3HG2  ILE  16          3HG2      ILE  16  28.462  -3.035   4.130
  130   1HD1  ILE  16          1HD1      ILE  16  28.787  -4.353   0.193
  131   2HD1  ILE  16          2HD1      ILE  16  29.077  -6.093   0.159
  132   3HD1  ILE  16          3HD1      ILE  16  27.506  -5.451  -0.323
  133    H    TYR  17           H        TYR  17  25.493  -1.485   1.080
  134    HA   TYR  17           HA       TYR  17  26.281   0.406   3.154
  135   1HB   TYR  17          1HB       TYR  17  26.320   0.937   0.692
  136   2HB   TYR  17          2HB       TYR  17  24.557   0.905   0.707
  137    HD1  TYR  17           HD1      TYR  17  27.191   2.303   2.996
  138    HD2  TYR  17           HD2      TYR  17  23.638   3.042   0.698
  139    HE1  TYR  17           HE1      TYR  17  27.149   4.645   3.814
  140    HE2  TYR  17           HE2      TYR  17  23.598   5.384   1.514
  141    HH   TYR  17           HH       TYR  17  26.011   6.964   2.687
  142    H    PHE  18           H        PHE  18  23.347  -1.220   2.149
  143    HA   PHE  18           HA       PHE  18  21.651   0.400   3.931
  144   1HB   PHE  18          1HB       PHE  18  21.259  -1.279   1.625
  145   2HB   PHE  18          2HB       PHE  18  20.272  -1.904   2.944
  146    HD1  PHE  18           HD1      PHE  18  21.221   1.386   1.403
  147    HD2  PHE  18           HD2      PHE  18  18.156  -0.993   3.243
  148    HE1  PHE  18           HE1      PHE  18  19.585   3.212   1.034
  149    HE2  PHE  18           HE2      PHE  18  16.518   0.833   2.876
  150    HZ   PHE  18           HZ       PHE  18  17.233   2.935   1.771
  151    H    ALA  19           H        ALA  19  23.323  -2.666   3.887
  152    HA   ALA  19           HA       ALA  19  21.836  -3.836   6.104
  153   1HB   ALA  19          1HB       ALA  19  22.965  -5.178   4.316
  154   2HB   ALA  19          2HB       ALA  19  24.520  -4.634   4.944
  155   3HB   ALA  19          3HB       ALA  19  23.469  -5.637   5.943
  156    H    ALA  20           H        ALA  20  25.255  -2.887   5.777
  157    HA   ALA  20           HA       ALA  20  26.032  -3.069   8.452
  158   1HB   ALA  20          1HB       ALA  20  27.364  -2.463   6.287
  159   2HB   ALA  20          2HB       ALA  20  27.001  -0.800   6.749
  160   3HB   ALA  20          3HB       ALA  20  27.917  -1.839   7.841
  161    H    LEU  21           H        LEU  21  24.752  -0.208   6.803
  162    HA   LEU  21           HA       LEU  21  24.732   1.356   9.269
  163   1HB   LEU  21          1HB       LEU  21  24.715   1.924   6.524
  164   2HB   LEU  21          2HB       LEU  21  23.151   2.490   7.105
  165    HG   LEU  21           HG       LEU  21  24.367   3.692   8.962
  166   1HD1  LEU  21          1HD1      LEU  21  26.781   2.927   7.289
  167   2HD1  LEU  21          2HD1      LEU  21  26.798   4.060   8.640
  168   3HD1  LEU  21          3HD1      LEU  21  26.433   2.358   8.922
  169   1HD2  LEU  21          1HD2      LEU  21  24.612   4.302   6.049
  170   2HD2  LEU  21          2HD2      LEU  21  23.777   5.199   7.317
  171   3HD2  LEU  21          3HD2      LEU  21  25.531   5.310   7.168
  172    H    SER  22           H        SER  22  22.523  -0.856   7.860
  173    HA   SER  22           HA       SER  22  19.987   0.189   8.370
  174   1HB   SER  22          1HB       SER  22  20.979  -2.309   7.733
  175   2HB   SER  22          2HB       SER  22  20.244  -2.583   9.308
  176    HG   SER  22           HG       SER  22  18.332  -1.667   8.504
  177    HA   PRO  23           HA       PRO  23  20.223  -1.255  13.015
  178   1HB   PRO  23          1HB       PRO  23  22.684  -1.870  14.020
  179   2HB   PRO  23          2HB       PRO  23  21.602  -3.053  13.296
  180   1HG   PRO  23          1HG       PRO  23  24.034  -1.810  12.167
  181   2HG   PRO  23          2HG       PRO  23  23.370  -3.434  11.911
  182   1HD   PRO  23          1HD       PRO  23  23.121  -1.341  10.130
  183   2HD   PRO  23          2HD       PRO  23  22.067  -2.758  10.168
  184    H    ALA  24           H        ALA  24  23.398   0.105  12.244
  185    HA   ALA  24           HA       ALA  24  23.745   1.877  14.369
  186   1HB   ALA  24          1HB       ALA  24  25.423   1.511  12.595
  187   2HB   ALA  24          2HB       ALA  24  24.423   2.424  11.466
  188   3HB   ALA  24          3HB       ALA  24  25.139   3.231  12.861
  189    H    ILE  25           H        ILE  25  21.529   2.236  11.669
  190    HA   ILE  25           HA       ILE  25  21.015   5.064  12.079
  191    HB   ILE  25           HB       ILE  25  19.450   2.904  10.615
  192   1HG1  ILE  25          1HG1      ILE  25  20.877   5.223   9.355
  193   2HG1  ILE  25          2HG1      ILE  25  21.819   3.833   9.895
  194   1HG2  ILE  25          1HG2      ILE  25  18.916   5.834  11.035
  195   2HG2  ILE  25          2HG2      ILE  25  18.502   5.102   9.484
  196   3HG2  ILE  25          3HG2      ILE  25  17.774   4.493  10.970
  197   1HD1  ILE  25          1HD1      ILE  25  20.111   2.398   8.602
  198   2HD1  ILE  25          2HD1      ILE  25  19.603   3.907   7.844
  199   3HD1  ILE  25          3HD1      ILE  25  21.258   3.332   7.643
  200    H    THR  26           H        THR  26  19.340   2.065  13.070
  201    HA   THR  26           HA       THR  26  17.102   3.214  14.344
  202    HB   THR  26           HB       THR  26  18.574   0.821  15.453
  203    HG1  THR  26           HG1      THR  26  16.902   1.003  13.172
  204   1HG2  THR  26          1HG2      THR  26  16.469   1.825  16.529
  205   2HG2  THR  26          2HG2      THR  26  15.610   1.267  15.093
  206   3HG2  THR  26          3HG2      THR  26  16.419   0.105  16.144
  207    H    PHE  27           H        PHE  27  20.423   2.896  15.507
  208    HA   PHE  27           HA       PHE  27  19.875   3.600  18.248
  209   1HB   PHE  27          1HB       PHE  27  22.219   3.132  16.570
  210   2HB   PHE  27          2HB       PHE  27  22.481   4.478  17.675
  211    HD1  PHE  27           HD1      PHE  27  21.736   4.081  20.166
  212    HD2  PHE  27           HD2      PHE  27  22.506   0.940  17.339
  213    HE1  PHE  27           HE1      PHE  27  22.076   2.484  22.033
  214    HE2  PHE  27           HE2      PHE  27  22.843  -0.657  19.206
  215    HZ   PHE  27           HZ       PHE  27  22.629   0.116  21.553
  216    H    GLY  28           H        GLY  28  21.173   5.747  19.041
  217   1HA   GLY  28          1HA       GLY  28  19.671   7.966  17.860
  218   2HA   GLY  28          2HA       GLY  28  20.709   8.059  19.282
  219    H    GLY  29           H        GLY  29  22.854   8.677  19.026
  220   1HA   GLY  29          1HA       GLY  29  24.165   8.713  16.429
  221   2HA   GLY  29          2HA       GLY  29  23.663  10.323  16.949
  222    H    LEU  30           H        LEU  30  24.865   7.612  18.914
  223    HA   LEU  30           HA       LEU  30  26.582   9.278  20.494
  224   1HB   LEU  30          1HB       LEU  30  26.442   6.290  20.050
  225   2HB   LEU  30          2HB       LEU  30  27.617   7.020  21.141
  226    HG   LEU  30           HG       LEU  30  24.924   8.074  21.589
  227   1HD1  LEU  30          1HD1      LEU  30  24.943   5.353  20.935
  228   2HD1  LEU  30          2HD1      LEU  30  24.956   5.374  22.698
  229   3HD1  LEU  30          3HD1      LEU  30  23.678   6.208  21.814
  230   1HD2  LEU  30          1HD2      LEU  30  27.190   7.936  23.015
  231   2HD2  LEU  30          2HD2      LEU  30  25.609   8.009  23.792
  232   3HD2  LEU  30          3HD2      LEU  30  26.428   6.459  23.603
  233    H    LEU  31           H        LEU  31  27.227   7.110  17.741
  234    HA   LEU  31           HA       LEU  31  30.076   7.690  17.700
  235   1HB   LEU  31          1HB       LEU  31  29.029   5.590  16.781
  236   2HB   LEU  31          2HB       LEU  31  28.354   6.562  15.472
  237    HG   LEU  31           HG       LEU  31  30.846   7.368  15.181
  238   1HD1  LEU  31          1HD1      LEU  31  31.544   6.101  17.269
  239   2HD1  LEU  31          2HD1      LEU  31  31.263   4.611  16.368
  240   3HD1  LEU  31          3HD1      LEU  31  32.502   5.747  15.831
  241   1HD2  LEU  31          1HD2      LEU  31  29.644   4.732  14.326
  242   2HD2  LEU  31          2HD2      LEU  31  29.799   6.219  13.392
  243   3HD2  LEU  31          3HD2      LEU  31  31.228   5.248  13.746
  244    H    GLY  32           H        GLY  32  27.578   8.389  15.225
  245   1HA   GLY  32          1HA       GLY  32  27.279  10.278  13.865
  246   2HA   GLY  32          2HA       GLY  32  28.188  11.194  15.067
  247    H    GLU  33           H        GLU  33  28.294  10.933  11.988
  248    HA   GLU  33           HA       GLU  33  31.003   9.924  11.513
  249   1HB   GLU  33          1HB       GLU  33  28.833  11.126   9.824
  250   2HB   GLU  33          2HB       GLU  33  30.482  11.068   9.200
  251   1HG   GLU  33          1HG       GLU  33  30.570   8.690   9.367
  252   2HG   GLU  33          2HG       GLU  33  29.110   8.634  10.356
  253    H    LYS  34           H        LYS  34  29.422  13.124  11.151
  254    HA   LYS  34           HA       LYS  34  31.982  14.381  11.975
  255   1HB   LYS  34          1HB       LYS  34  31.747  14.318   9.439
  256   2HB   LYS  34          2HB       LYS  34  30.361  15.390   9.629
  257   1HG   LYS  34          1HG       LYS  34  31.685  17.190   9.951
  258   2HG   LYS  34          2HG       LYS  34  32.650  16.348  11.162
  259   1HD   LYS  34          1HD       LYS  34  34.200  16.788   9.444
  260   2HD   LYS  34          2HD       LYS  34  33.723  15.118   9.142
  261   1HE   LYS  34          1HE       LYS  34  33.127  15.737   7.060
  262   2HE   LYS  34          2HE       LYS  34  31.830  16.698   7.768
  263   1HZ   LYS  34          1HZ       LYS  34  33.658  18.437   8.122
  264   2HZ   LYS  34          2HZ       LYS  34  34.543  17.548   6.980
  265   3HZ   LYS  34          3HZ       LYS  34  33.046  18.227   6.550
  Start of MODEL   18
    1   1H    ACE   1          HA1       ACE   1  23.344  14.899  21.545
    2   2H    ACE   1          HA2       ACE   1  21.957  14.177  22.362
    3   3H    ACE   1          HA3       ACE   1  21.864  14.568  20.645
    4    H    ARG   2           H        ARG   2  21.201  12.063  21.063
    5    HA   ARG   2           HA       ARG   2  23.659  10.451  20.573
    6   1HB   ARG   2          1HB       ARG   2  21.275   9.978  22.237
    7   2HB   ARG   2          2HB       ARG   2  21.707   8.611  21.209
    8   1HG   ARG   2          1HG       ARG   2  23.740  10.050  22.926
    9   2HG   ARG   2          2HG       ARG   2  22.812   8.671  23.515
   10   1HD   ARG   2          1HD       ARG   2  24.079   8.283  20.869
   11   2HD   ARG   2          2HD       ARG   2  25.201   8.445  22.220
   12    HE   ARG   2           HE       ARG   2  23.051   6.588  22.815
   13   1HH1  ARG   2          1HH1      ARG   2  24.476   5.906  20.125
   14   2HH1  ARG   2          2HH1      ARG   2  25.627   4.740  20.686
   15   1HH2  ARG   2          1HH2      ARG   2  25.227   5.565  24.031
   16   2HH2  ARG   2          2HH2      ARG   2  26.051   4.545  22.899
   17    H    TYR   3           H        TYR   3  20.324  11.057  19.578
   18    HA   TYR   3           HA       TYR   3  19.187  10.561  17.597
   19   1HB   TYR   3          1HB       TYR   3  22.060  10.611  16.678
   20   2HB   TYR   3          2HB       TYR   3  20.706  10.423  15.566
   21    HD1  TYR   3           HD1      TYR   3  18.676  12.169  16.168
   22    HD2  TYR   3           HD2      TYR   3  22.864  12.775  16.903
   23    HE1  TYR   3           HE1      TYR   3  18.316  14.623  16.198
   24    HE2  TYR   3           HE2      TYR   3  22.504  15.228  16.933
   25    HH   TYR   3           HH       TYR   3  20.533  16.807  15.762
   26    HA   PRO   4           HA       PRO   4  19.759   6.016  17.892
   27   1HB   PRO   4          1HB       PRO   4  17.158   5.456  18.492
   28   2HB   PRO   4          2HB       PRO   4  18.364   5.897  19.709
   29   1HG   PRO   4          1HG       PRO   4  16.081   7.435  18.730
   30   2HG   PRO   4          2HG       PRO   4  17.060   7.682  20.184
   31   1HD   PRO   4          1HD       PRO   4  17.220   9.082  17.660
   32   2HD   PRO   4          2HD       PRO   4  18.125   9.393  19.150
   33    H    TYR   5           H        TYR   5  16.444   6.755  16.850
   34    HA   TYR   5           HA       TYR   5  16.632   5.022  14.563
   35   1HB   TYR   5          1HB       TYR   5  14.507   5.623  15.787
   36   2HB   TYR   5          2HB       TYR   5  14.592   7.211  15.024
   37    HD1  TYR   5           HD1      TYR   5  15.141   3.669  13.896
   38    HD2  TYR   5           HD2      TYR   5  13.171   7.422  13.192
   39    HE1  TYR   5           HE1      TYR   5  14.104   2.740  11.845
   40    HE2  TYR   5           HE2      TYR   5  12.132   6.492  11.140
   41    HH   TYR   5           HH       TYR   5  11.521   4.057  10.333
   42    H    TYR   6           H        TYR   6  17.300   8.418  15.052
   43    HA   TYR   6           HA       TYR   6  17.047   9.350  12.379
   44   1HB   TYR   6          1HB       TYR   6  17.511  10.663  14.575
   45   2HB   TYR   6          2HB       TYR   6  19.208  10.331  14.228
   46    HD1  TYR   6           HD1      TYR   6  16.212  11.261  12.155
   47    HD2  TYR   6           HD2      TYR   6  20.281  12.130  13.221
   48    HE1  TYR   6           HE1      TYR   6  16.245  13.119  10.511
   49    HE2  TYR   6           HE2      TYR   6  20.315  13.987  11.578
   50    HH   TYR   6           HH       TYR   6  17.652  15.357  10.295
   51    H    LEU   7           H        LEU   7  19.846   7.913  14.048
   52    HA   LEU   7           HA       LEU   7  21.441   8.009  11.583
   53   1HB   LEU   7          1HB       LEU   7  22.061   7.995  14.301
   54   2HB   LEU   7          2HB       LEU   7  22.542   6.388  13.759
   55    HG   LEU   7           HG       LEU   7  23.578   7.780  11.733
   56   1HD1  LEU   7          1HD1      LEU   7  22.619   9.909  12.806
   57   2HD1  LEU   7          2HD1      LEU   7  23.878   9.724  14.027
   58   3HD1  LEU   7          3HD1      LEU   7  24.319   9.958  12.336
   59   1HD2  LEU   7          1HD2      LEU   7  24.695   6.313  13.541
   60   2HD2  LEU   7          2HD2      LEU   7  25.691   7.563  12.797
   61   3HD2  LEU   7          3HD2      LEU   7  25.002   7.823  14.399
   62    H    SER   8           H        SER   8  19.419   5.720  13.267
   63    HA   SER   8           HA       SER   8  20.497   3.281  12.276
   64   1HB   SER   8          1HB       SER   8  17.797   4.160  13.220
   65   2HB   SER   8          2HB       SER   8  17.937   2.604  12.410
   66    HG   SER   8           HG       SER   8  19.323   1.920  13.968
   67    H    ASP   9           H        ASP   9  18.533   5.741  10.734
   68    HA   ASP   9           HA       ASP   9  17.600   4.202   8.506
   69   1HB   ASP   9          1HB       ASP   9  16.864   6.558   9.209
   70   2HB   ASP   9          2HB       ASP   9  18.320   7.139   8.399
   71    H    ILE  10           H        ILE  10  20.598   5.997   9.098
   72    HA   ILE  10           HA       ILE  10  21.661   5.736   6.441
   73    HB   ILE  10           HB       ILE  10  23.194   5.965   9.051
   74   1HG1  ILE  10          1HG1      ILE  10  22.206   8.157   7.196
   75   2HG1  ILE  10          2HG1      ILE  10  21.444   7.740   8.729
   76   1HG2  ILE  10          1HG2      ILE  10  24.261   5.399   6.664
   77   2HG2  ILE  10          2HG2      ILE  10  24.087   7.140   6.450
   78   3HG2  ILE  10          3HG2      ILE  10  25.051   6.508   7.784
   79   1HD1  ILE  10          1HD1      ILE  10  24.064   8.025   9.489
   80   2HD1  ILE  10          2HD1      ILE  10  23.931   9.237   8.215
   81   3HD1  ILE  10          3HD1      ILE  10  22.848   9.297   9.605
   82    H    THR  11           H        THR  11  21.786   3.669   9.316
   83    HA   THR  11           HA       THR  11  23.731   1.800   8.361
   84    HB   THR  11           HB       THR  11  21.398   0.914  10.035
   85    HG1  THR  11           HG1      THR  11  22.239   1.982  11.777
   86   1HG2  THR  11          1HG2      THR  11  23.966  -0.096   9.369
   87   2HG2  THR  11          2HG2      THR  11  24.024   0.362  11.071
   88   3HG2  THR  11          3HG2      THR  11  22.802  -0.776  10.506
   89    H    ASP  12           H        ASP  12  20.228   2.039   7.886
   90    HA   ASP  12           HA       ASP  12  19.893  -0.477   6.548
   91   1HB   ASP  12          1HB       ASP  12  18.338   2.068   6.764
   92   2HB   ASP  12          2HB       ASP  12  17.921   0.960   5.458
   93    H    VAL  13           H        VAL  13  20.938   2.711   5.498
   94    HA   VAL  13           HA       VAL  13  20.796   2.150   2.660
   95    HB   VAL  13           HB       VAL  13  22.475   4.195   4.118
   96   1HG1  VAL  13          1HG1      VAL  13  21.582   3.908   1.239
   97   2HG1  VAL  13          2HG1      VAL  13  22.247   5.401   1.900
   98   3HG1  VAL  13          3HG1      VAL  13  23.238   3.944   1.845
   99   1HG2  VAL  13          1HG2      VAL  13  19.678   4.372   2.960
  100   2HG2  VAL  13          2HG2      VAL  13  20.096   4.424   4.671
  101   3HG2  VAL  13          3HG2      VAL  13  20.594   5.735   3.603
  102    H    ILE  14           H        ILE  14  23.194   1.663   5.186
  103    HA   ILE  14           HA       ILE  14  25.441   1.162   3.463
  104    HB   ILE  14           HB       ILE  14  24.861   0.097   6.252
  105   1HG1  ILE  14          1HG1      ILE  14  26.497   2.487   5.339
  106   2HG1  ILE  14          2HG1      ILE  14  24.880   2.585   6.031
  107   1HG2  ILE  14          1HG2      ILE  14  26.832  -0.765   4.509
  108   2HG2  ILE  14          2HG2      ILE  14  27.658   0.505   5.408
  109   3HG2  ILE  14          3HG2      ILE  14  26.931  -0.852   6.267
  110   1HD1  ILE  14          1HD1      ILE  14  26.754   0.992   7.647
  111   2HD1  ILE  14          2HD1      ILE  14  27.219   2.685   7.482
  112   3HD1  ILE  14          3HD1      ILE  14  25.641   2.265   8.145
  113    H    PHE  15           H        PHE  15  22.771  -0.822   4.618
  114    HA   PHE  15           HA       PHE  15  23.817  -3.371   3.799
  115   1HB   PHE  15          1HB       PHE  15  21.830  -3.030   5.310
  116   2HB   PHE  15          2HB       PHE  15  20.908  -2.511   3.900
  117    HD1  PHE  15           HD1      PHE  15  23.384  -5.276   4.493
  118    HD2  PHE  15           HD2      PHE  15  19.427  -4.178   3.231
  119    HE1  PHE  15           HE1      PHE  15  22.904  -7.645   3.941
  120    HE2  PHE  15           HE2      PHE  15  18.947  -6.548   2.677
  121    HZ   PHE  15           HZ       PHE  15  20.685  -8.281   3.033
  122    H    ILE  16           H        ILE  16  21.485  -1.176   2.205
  123    HA   ILE  16           HA       ILE  16  21.404  -2.597  -0.279
  124    HB   ILE  16           HB       ILE  16  20.907   0.335   0.343
  125   1HG1  ILE  16          1HG1      ILE  16  19.453  -1.234   1.577
  126   2HG1  ILE  16          2HG1      ILE  16  18.534  -0.341   0.369
  127   1HG2  ILE  16          1HG2      ILE  16  20.733  -1.233  -2.172
  128   2HG2  ILE  16          2HG2      ILE  16  19.355  -0.192  -1.817
  129   3HG2  ILE  16          3HG2      ILE  16  20.974   0.498  -1.936
  130   1HD1  ILE  16          1HD1      ILE  16  19.077  -2.404  -1.174
  131   2HD1  ILE  16          2HD1      ILE  16  19.368  -3.232   0.356
  132   3HD1  ILE  16          3HD1      ILE  16  17.786  -2.530   0.019
  133    H    TYR  17           H        TYR  17  23.841  -0.537   1.112
  134    HA   TYR  17           HA       TYR  17  25.030   0.399  -1.335
  135   1HB   TYR  17          1HB       TYR  17  25.477   0.953   1.289
  136   2HB   TYR  17          2HB       TYR  17  26.826  -0.138   0.970
  137    HD1  TYR  17           HD1      TYR  17  25.058   2.793  -0.568
  138    HD2  TYR  17           HD2      TYR  17  28.782   0.736   0.027
  139    HE1  TYR  17           HE1      TYR  17  26.254   4.615  -1.752
  140    HE2  TYR  17           HE2      TYR  17  29.978   2.559  -1.155
  141    HH   TYR  17           HH       TYR  17  28.434   5.548  -1.978
  142    H    PHE  18           H        PHE  18  25.567  -2.473   0.697
  143    HA   PHE  18           HA       PHE  18  27.733  -3.517  -0.903
  144   1HB   PHE  18          1HB       PHE  18  25.940  -4.567   1.245
  145   2HB   PHE  18          2HB       PHE  18  26.782  -5.745   0.237
  146    HD1  PHE  18           HD1      PHE  18  27.331  -2.701   2.332
  147    HD2  PHE  18           HD2      PHE  18  29.068  -6.220   0.585
  148    HE1  PHE  18           HE1      PHE  18  29.424  -2.297   3.599
  149    HE2  PHE  18           HE2      PHE  18  31.161  -5.816   1.852
  150    HZ   PHE  18           HZ       PHE  18  31.340  -3.854   3.359
  151    H    ALA  19           H        ALA  19  24.236  -3.705  -1.059
  152    HA   ALA  19           HA       ALA  19  23.935  -5.883  -2.869
  153   1HB   ALA  19          1HB       ALA  19  22.181  -4.389  -1.566
  154   2HB   ALA  19          2HB       ALA  19  22.190  -3.450  -3.058
  155   3HB   ALA  19          3HB       ALA  19  21.733  -5.153  -3.092
  156    H    ALA  20           H        ALA  20  24.125  -2.393  -3.513
  157    HA   ALA  20           HA       ALA  20  24.121  -2.519  -6.355
  158   1HB   ALA  20          1HB       ALA  20  25.359  -0.524  -4.445
  159   2HB   ALA  20          2HB       ALA  20  25.246  -0.269  -6.186
  160   3HB   ALA  20          3HB       ALA  20  23.778  -0.413  -5.218
  161    H    LEU  21           H        LEU  21  26.822  -2.346  -4.079
  162    HA   LEU  21           HA       LEU  21  28.860  -2.595  -6.136
  163   1HB   LEU  21          1HB       LEU  21  28.776  -1.817  -3.460
  164   2HB   LEU  21          2HB       LEU  21  29.712  -3.309  -3.435
  165    HG   LEU  21           HG       LEU  21  30.385  -1.402  -5.613
  166   1HD1  LEU  21          1HD1      LEU  21  30.661  -0.763  -2.694
  167   2HD1  LEU  21          2HD1      LEU  21  31.945  -0.274  -3.799
  168   3HD1  LEU  21          3HD1      LEU  21  30.300   0.314  -4.043
  169   1HD2  LEU  21          1HD2      LEU  21  31.819  -3.257  -3.714
  170   2HD2  LEU  21          2HD2      LEU  21  31.751  -3.323  -5.475
  171   3HD2  LEU  21          3HD2      LEU  21  32.713  -2.079  -4.675
  172    H    SER  22           H        SER  22  26.783  -4.882  -4.855
  173    HA   SER  22           HA       SER  22  28.109  -7.168  -4.159
  174   1HB   SER  22          1HB       SER  22  25.717  -6.736  -5.898
  175   2HB   SER  22          2HB       SER  22  26.353  -8.367  -5.709
  176    HG   SER  22           HG       SER  22  25.739  -8.373  -3.680
  177    HA   PRO  23           HA       PRO  23  29.164  -8.413  -8.756
  178   1HB   PRO  23          1HB       PRO  23  29.080  -6.435 -10.638
  179   2HB   PRO  23          2HB       PRO  23  27.730  -7.508 -10.285
  180   1HG   PRO  23          1HG       PRO  23  28.137  -4.687  -9.484
  181   2HG   PRO  23          2HG       PRO  23  26.637  -5.543  -9.884
  182   1HD   PRO  23          1HD       PRO  23  27.450  -4.980  -7.328
  183   2HD   PRO  23          2HD       PRO  23  26.342  -6.289  -7.743
  184    H    ALA  24           H        ALA  24  29.849  -4.949  -8.500
  185    HA   ALA  24           HA       ALA  24  32.459  -4.844  -9.473
  186   1HB   ALA  24          1HB       ALA  24  30.948  -3.292  -7.430
  187   2HB   ALA  24          2HB       ALA  24  32.694  -3.049  -7.494
  188   3HB   ALA  24          3HB       ALA  24  31.708  -2.744  -8.925
  189    H    ILE  25           H        ILE  25  31.418  -6.191  -6.407
  190    HA   ILE  25           HA       ILE  25  34.080  -6.276  -5.228
  191    HB   ILE  25           HB       ILE  25  31.553  -7.793  -4.482
  192   1HG1  ILE  25          1HG1      ILE  25  32.653  -5.433  -2.989
  193   2HG1  ILE  25          2HG1      ILE  25  31.696  -5.152  -4.442
  194   1HG2  ILE  25          1HG2      ILE  25  34.118  -8.331  -3.647
  195   2HG2  ILE  25          2HG2      ILE  25  33.583  -7.180  -2.425
  196   3HG2  ILE  25          3HG2      ILE  25  32.670  -8.662  -2.698
  197   1HD1  ILE  25          1HD1      ILE  25  30.652  -7.079  -2.405
  198   2HD1  ILE  25          2HD1      ILE  25  30.527  -5.354  -2.064
  199   3HD1  ILE  25          3HD1      ILE  25  29.761  -6.027  -3.503
  200    H    THR  26           H        THR  26  31.930  -8.643  -6.830
  201    HA   THR  26           HA       THR  26  33.814 -10.831  -6.630
  202    HB   THR  26           HB       THR  26  31.540 -10.467  -8.609
  203    HG1  THR  26           HG1      THR  26  30.250 -11.240  -7.076
  204   1HG2  THR  26          1HG2      THR  26  33.469 -12.354  -8.685
  205   2HG2  THR  26          2HG2      THR  26  32.357 -13.119  -7.550
  206   3HG2  THR  26          3HG2      THR  26  31.802 -12.672  -9.163
  207    H    PHE  27           H        PHE  27  32.673  -9.200  -9.603
  208    HA   PHE  27           HA       PHE  27  35.247  -9.806 -10.899
  209   1HB   PHE  27          1HB       PHE  27  32.844  -9.958 -11.955
  210   2HB   PHE  27          2HB       PHE  27  33.044  -8.220 -12.191
  211    HD1  PHE  27           HD1      PHE  27  35.239  -7.425 -13.318
  212    HD2  PHE  27           HD2      PHE  27  33.806 -11.471 -13.475
  213    HE1  PHE  27           HE1      PHE  27  36.672  -7.855 -15.295
  214    HE2  PHE  27           HE2      PHE  27  35.238 -11.901 -15.453
  215    HZ   PHE  27           HZ       PHE  27  36.672 -10.093 -16.363
  216    H    GLY  28           H        GLY  28  36.798  -8.266 -11.349
  217   1HA   GLY  28          1HA       GLY  28  36.340  -5.556 -10.227
  218   2HA   GLY  28          2HA       GLY  28  37.920  -6.266 -10.551
  219    H    GLY  29           H        GLY  29  35.126  -4.715 -12.018
  220   1HA   GLY  29          1HA       GLY  29  36.494  -4.623 -14.644
  221   2HA   GLY  29          2HA       GLY  29  34.817  -4.172 -14.350
  222    H    LEU  30           H        LEU  30  37.449  -3.070 -12.298
  223    HA   LEU  30           HA       LEU  30  36.689  -0.302 -12.645
  224   1HB   LEU  30          1HB       LEU  30  38.483  -1.846 -10.956
  225   2HB   LEU  30          2HB       LEU  30  39.277  -0.377 -11.519
  226    HG   LEU  30           HG       LEU  30  38.086   0.027  -9.402
  227   1HD1  LEU  30          1HD1      LEU  30  38.137   1.675 -11.479
  228   2HD1  LEU  30          2HD1      LEU  30  36.393   1.416 -11.442
  229   3HD1  LEU  30          3HD1      LEU  30  37.216   2.077 -10.030
  230   1HD2  LEU  30          1HD2      LEU  30  35.943  -1.397 -10.842
  231   2HD2  LEU  30          2HD2      LEU  30  36.212  -1.226  -9.110
  232   3HD2  LEU  30          3HD2      LEU  30  35.394   0.054 -10.005
  233    H    LEU  31           H        LEU  31  39.177  -2.384 -14.017
  234    HA   LEU  31           HA       LEU  31  40.747  -0.307 -15.235
  235   1HB   LEU  31          1HB       LEU  31  41.115  -2.953 -14.926
  236   2HB   LEU  31          2HB       LEU  31  40.515  -2.957 -16.584
  237    HG   LEU  31           HG       LEU  31  42.448  -0.817 -16.226
  238   1HD1  LEU  31          1HD1      LEU  31  43.188  -3.559 -15.242
  239   2HD1  LEU  31          2HD1      LEU  31  44.395  -2.568 -16.061
  240   3HD1  LEU  31          3HD1      LEU  31  43.630  -1.983 -14.584
  241   1HD2  LEU  31          1HD2      LEU  31  41.591  -2.258 -18.289
  242   2HD2  LEU  31          2HD2      LEU  31  43.221  -1.585 -18.272
  243   3HD2  LEU  31          3HD2      LEU  31  42.962  -3.278 -17.854
  244    H    GLY  32           H        GLY  32  37.913  -2.152 -16.296
  245   1HA   GLY  32          1HA       GLY  32  36.287  -0.997 -17.765
  246   2HA   GLY  32          2HA       GLY  32  37.656  -0.245 -18.585
  247    H    GLU  33           H        GLU  33  35.913  -1.509 -20.206
  248    HA   GLU  33           HA       GLU  33  36.561  -4.316 -20.604
  249   1HB   GLU  33          1HB       GLU  33  34.544  -2.593 -21.478
  250   2HB   GLU  33          2HB       GLU  33  35.460  -2.938 -22.944
  251   1HG   GLU  33          1HG       GLU  33  35.346  -5.418 -22.159
  252   2HG   GLU  33          2HG       GLU  33  34.035  -4.864 -21.116
  253    H    LYS  34           H        LYS  34  37.207  -1.394 -22.581
  254    HA   LYS  34           HA       LYS  34  39.857  -2.506 -23.264
  255   1HB   LYS  34          1HB       LYS  34  37.677  -2.788 -25.006
  256   2HB   LYS  34          2HB       LYS  34  38.571  -1.410 -25.646
  257   1HG   LYS  34          1HG       LYS  34  39.764  -3.082 -26.678
  258   2HG   LYS  34          2HG       LYS  34  40.643  -3.053 -25.149
  259   1HD   LYS  34          1HD       LYS  34  39.458  -4.932 -24.305
  260   2HD   LYS  34          2HD       LYS  34  38.220  -4.811 -25.554
  261   1HE   LYS  34          1HE       LYS  34  40.758  -5.078 -26.855
  262   2HE   LYS  34          2HE       LYS  34  40.641  -6.327 -25.615
  263   1HZ   LYS  34          1HZ       LYS  34  38.435  -6.893 -26.509
  264   2HZ   LYS  34          2HZ       LYS  34  38.674  -5.777 -27.767
  265   3HZ   LYS  34          3HZ       LYS  34  39.683  -7.134 -27.636
  Start of MODEL   19
    1   1H    ACE   1          HA1       ACE   1   6.857   8.483 -11.366
    2   2H    ACE   1          HA2       ACE   1   5.209   9.056 -11.106
    3   3H    ACE   1          HA3       ACE   1   5.518   7.335 -11.336
    4    H    ARG   2           H        ARG   2   5.101   6.355  -9.412
    5    HA   ARG   2           HA       ARG   2   5.300   7.621  -6.854
    6   1HB   ARG   2          1HB       ARG   2   5.367   4.660  -7.519
    7   2HB   ARG   2          2HB       ARG   2   5.022   5.353  -5.935
    8   1HG   ARG   2          1HG       ARG   2   2.915   6.038  -6.538
    9   2HG   ARG   2          2HG       ARG   2   3.380   6.342  -8.212
   10   1HD   ARG   2          1HD       ARG   2   1.916   4.420  -8.201
   11   2HD   ARG   2          2HD       ARG   2   3.550   3.845  -8.532
   12    HE   ARG   2           HE       ARG   2   2.592   3.780  -5.721
   13   1HH1  ARG   2          1HH1      ARG   2   1.800   1.841  -8.202
   14   2HH1  ARG   2          2HH1      ARG   2   2.680   0.440  -7.689
   15   1HH2  ARG   2          1HH2      ARG   2   4.461   2.127  -5.239
   16   2HH2  ARG   2          2HH2      ARG   2   4.186   0.602  -6.013
   17    H    TYR   3           H        TYR   3   7.586   5.750  -8.770
   18    HA   TYR   3           HA       TYR   3   9.840   5.216  -8.429
   19   1HB   TYR   3          1HB       TYR   3   9.544   7.888  -7.054
   20   2HB   TYR   3          2HB       TYR   3  11.106   7.091  -7.251
   21    HD1  TYR   3           HD1      TYR   3  11.540   6.157  -9.728
   22    HD2  TYR   3           HD2      TYR   3   8.866   9.362  -8.717
   23    HE1  TYR   3           HE1      TYR   3  11.671   7.002 -12.057
   24    HE2  TYR   3           HE2      TYR   3   8.997  10.208 -11.046
   25    HH   TYR   3           HH       TYR   3   9.694   8.735 -13.495
   26    HA   PRO   4           HA       PRO   4   9.110   3.641  -4.087
   27   1HB   PRO   4          1HB       PRO   4   8.262   1.127  -4.721
   28   2HB   PRO   4          2HB       PRO   4   7.172   2.508  -4.554
   29   1HG   PRO   4          1HG       PRO   4   7.919   1.047  -6.958
   30   2HG   PRO   4          2HG       PRO   4   6.616   2.224  -6.724
   31   1HD   PRO   4          1HD       PRO   4   9.243   2.634  -7.913
   32   2HD   PRO   4          2HD       PRO   4   7.855   3.732  -7.876
   33    H    TYR   5           H        TYR   5   9.872   0.984  -6.315
   34    HA   TYR   5           HA       TYR   5  11.938  -0.149  -4.781
   35   1HB   TYR   5          1HB       TYR   5  10.699  -1.043  -6.888
   36   2HB   TYR   5          2HB       TYR   5  11.985  -0.240  -7.789
   37    HD1  TYR   5           HD1      TYR   5  11.392  -2.681  -5.017
   38    HD2  TYR   5           HD2      TYR   5  14.085  -1.266  -8.048
   39    HE1  TYR   5           HE1      TYR   5  12.906  -4.594  -4.565
   40    HE2  TYR   5           HE2      TYR   5  15.600  -3.177  -7.596
   41    HH   TYR   5           HH       TYR   5  15.822  -4.802  -5.129
   42    H    TYR   6           H        TYR   6  12.049   2.677  -6.819
   43    HA   TYR   6           HA       TYR   6  14.817   2.738  -7.462
   44   1HB   TYR   6          1HB       TYR   6  12.796   4.318  -8.126
   45   2HB   TYR   6          2HB       TYR   6  13.371   5.261  -6.752
   46    HD1  TYR   6           HD1      TYR   6  14.380   3.784 -10.015
   47    HD2  TYR   6           HD2      TYR   6  15.380   6.544  -6.878
   48    HE1  TYR   6           HE1      TYR   6  16.199   4.720 -11.418
   49    HE2  TYR   6           HE2      TYR   6  17.198   7.480  -8.282
   50    HH   TYR   6           HH       TYR   6  17.424   7.090 -11.493
   51    H    LEU   7           H        LEU   7  13.095   4.128  -4.671
   52    HA   LEU   7           HA       LEU   7  15.478   5.102  -3.373
   53   1HB   LEU   7          1HB       LEU   7  13.102   5.883  -2.950
   54   2HB   LEU   7          2HB       LEU   7  12.851   4.391  -2.045
   55    HG   LEU   7           HG       LEU   7  15.309   5.796  -1.256
   56   1HD1  LEU   7          1HD1      LEU   7  12.718   7.254  -1.376
   57   2HD1  LEU   7          2HD1      LEU   7  13.635   7.403   0.123
   58   3HD1  LEU   7          3HD1      LEU   7  14.366   7.882  -1.409
   59   1HD2  LEU   7          1HD2      LEU   7  13.870   3.878  -0.146
   60   2HD2  LEU   7          2HD2      LEU   7  14.671   5.076   0.871
   61   3HD2  LEU   7          3HD2      LEU   7  12.950   5.229   0.517
   62    H    SER   8           H        SER   8  13.542   2.133  -2.985
   63    HA   SER   8           HA       SER   8  14.955   1.050  -0.765
   64   1HB   SER   8          1HB       SER   8  12.806   0.252  -2.212
   65   2HB   SER   8          2HB       SER   8  14.021  -0.859  -2.838
   66    HG   SER   8           HG       SER   8  13.037  -1.716  -0.989
   67    H    ASP   9           H        ASP   9  15.791   1.208  -4.162
   68    HA   ASP   9           HA       ASP   9  17.808  -0.845  -4.163
   69   1HB   ASP   9          1HB       ASP   9  17.082   1.460  -5.922
   70   2HB   ASP   9          2HB       ASP   9  18.697   0.773  -6.101
   71    H    ILE  10           H        ILE  10  17.831   2.609  -3.419
   72    HA   ILE  10           HA       ILE  10  20.698   2.829  -3.131
   73    HB   ILE  10           HB       ILE  10  18.536   4.522  -1.847
   74   1HG1  ILE  10          1HG1      ILE  10  18.191   4.376  -4.281
   75   2HG1  ILE  10          2HG1      ILE  10  18.766   5.979  -3.836
   76   1HG2  ILE  10          1HG2      ILE  10  21.045   4.656  -1.146
   77   2HG2  ILE  10          2HG2      ILE  10  21.268   5.444  -2.707
   78   3HG2  ILE  10          3HG2      ILE  10  20.183   6.151  -1.510
   79   1HD1  ILE  10          1HD1      ILE  10  21.144   4.937  -4.322
   80   2HD1  ILE  10          2HD1      ILE  10  20.217   3.777  -5.273
   81   3HD1  ILE  10          3HD1      ILE  10  20.139   5.495  -5.658
   82    H    THR  11           H        THR  11  18.013   2.323  -0.850
   83    HA   THR  11           HA       THR  11  19.543   2.299   1.549
   84    HB   THR  11           HB       THR  11  17.104   0.586   1.023
   85    HG1  THR  11           HG1      THR  11  17.309   3.351   1.612
   86   1HG2  THR  11          1HG2      THR  11  18.502   0.536   3.223
   87   2HG2  THR  11          2HG2      THR  11  17.779   2.116   3.525
   88   3HG2  THR  11          3HG2      THR  11  16.750   0.696   3.339
   89    H    ASP  12           H        ASP  12  19.201  -0.090  -0.982
   90    HA   ASP  12           HA       ASP  12  20.225  -2.295   0.644
   91   1HB   ASP  12          1HB       ASP  12  18.800  -2.150  -1.713
   92   2HB   ASP  12          2HB       ASP  12  20.416  -2.562  -2.286
   93    H    VAL  13           H        VAL  13  21.504   0.104  -1.579
   94    HA   VAL  13           HA       VAL  13  24.123  -1.127  -1.827
   95    HB   VAL  13           HB       VAL  13  23.255   1.722  -2.333
   96   1HG1  VAL  13          1HG1      VAL  13  25.767   0.175  -2.947
   97   2HG1  VAL  13          2HG1      VAL  13  25.279   1.540  -3.951
   98   3HG1  VAL  13          3HG1      VAL  13  25.611   1.781  -2.236
   99   1HG2  VAL  13          1HG2      VAL  13  22.229  -0.384  -3.597
  100   2HG2  VAL  13          2HG2      VAL  13  22.651   1.085  -4.478
  101   3HG2  VAL  13          3HG2      VAL  13  23.751  -0.294  -4.484
  102    H    ILE  14           H        ILE  14  22.582   1.015   0.462
  103    HA   ILE  14           HA       ILE  14  25.089   1.865   1.716
  104    HB   ILE  14           HB       ILE  14  22.215   2.088   2.671
  105   1HG1  ILE  14          1HG1      ILE  14  22.603   3.258   0.529
  106   2HG1  ILE  14          2HG1      ILE  14  22.339   4.406   1.838
  107   1HG2  ILE  14          1HG2      ILE  14  24.530   2.438   4.148
  108   2HG2  ILE  14          2HG2      ILE  14  24.164   4.076   3.607
  109   3HG2  ILE  14          3HG2      ILE  14  22.964   3.159   4.517
  110   1HD1  ILE  14          1HD1      ILE  14  25.087   4.026   1.891
  111   2HD1  ILE  14          2HD1      ILE  14  24.713   4.001   0.168
  112   3HD1  ILE  14          3HD1      ILE  14  24.257   5.393   1.150
  113    H    PHE  15           H        PHE  15  22.474  -0.431   2.334
  114    HA   PHE  15           HA       PHE  15  23.327  -1.354   4.889
  115   1HB   PHE  15          1HB       PHE  15  21.189  -1.823   3.263
  116   2HB   PHE  15          2HB       PHE  15  22.088  -3.320   3.052
  117    HD1  PHE  15           HD1      PHE  15  20.312  -1.162   5.447
  118    HD2  PHE  15           HD2      PHE  15  22.453  -4.849   4.928
  119    HE1  PHE  15           HE1      PHE  15  19.499  -1.944   7.656
  120    HE2  PHE  15           HE2      PHE  15  21.642  -5.632   7.137
  121    HZ   PHE  15           HZ       PHE  15  20.165  -4.180   8.501
  122    H    ILE  16           H        ILE  16  24.123  -2.426   1.597
  123    HA   ILE  16           HA       ILE  16  25.881  -4.551   2.550
  124    HB   ILE  16           HB       ILE  16  24.584  -3.906   0.127
  125   1HG1  ILE  16          1HG1      ILE  16  24.900  -6.145   1.092
  126   2HG1  ILE  16          2HG1      ILE  16  25.422  -6.106  -0.591
  127   1HG2  ILE  16          1HG2      ILE  16  27.584  -3.947  -0.318
  128   2HG2  ILE  16          2HG2      ILE  16  26.358  -4.058  -1.581
  129   3HG2  ILE  16          3HG2      ILE  16  26.513  -2.581  -0.630
  130   1HD1  ILE  16          1HD1      ILE  16  27.779  -5.702   0.251
  131   2HD1  ILE  16          2HD1      ILE  16  27.178  -6.030   1.877
  132   3HD1  ILE  16          3HD1      ILE  16  27.117  -7.289   0.644
  133    H    TYR  17           H        TYR  17  26.177  -1.167   1.734
  134    HA   TYR  17           HA       TYR  17  28.950  -0.980   1.206
  135   1HB   TYR  17          1HB       TYR  17  27.323   0.911   1.012
  136   2HB   TYR  17          2HB       TYR  17  27.276   1.007   2.773
  137    HD1  TYR  17           HD1      TYR  17  29.408   1.487   4.043
  138    HD2  TYR  17           HD2      TYR  17  29.126   1.869  -0.227
  139    HE1  TYR  17           HE1      TYR  17  31.469   2.865   4.030
  140    HE2  TYR  17           HE2      TYR  17  31.187   3.250  -0.239
  141    HH   TYR  17           HH       TYR  17  33.252   3.485   2.459
  142    H    PHE  18           H        PHE  18  27.233  -1.258   4.293
  143    HA   PHE  18           HA       PHE  18  29.715  -0.909   5.827
  144   1HB   PHE  18          1HB       PHE  18  27.053  -0.506   6.416
  145   2HB   PHE  18          2HB       PHE  18  27.386  -2.025   7.245
  146    HD1  PHE  18           HD1      PHE  18  29.875  -2.003   8.407
  147    HD2  PHE  18           HD2      PHE  18  27.369   1.411   7.685
  148    HE1  PHE  18           HE1      PHE  18  31.050  -0.760  10.204
  149    HE2  PHE  18           HE2      PHE  18  28.543   2.652   9.482
  150    HZ   PHE  18           HZ       PHE  18  30.383   1.567  10.741
  151    H    ALA  19           H        ALA  19  27.631  -3.558   4.785
  152    HA   ALA  19           HA       ALA  19  28.651  -5.640   6.418
  153   1HB   ALA  19          1HB       ALA  19  27.251  -5.442   3.817
  154   2HB   ALA  19          2HB       ALA  19  28.140  -6.942   4.081
  155   3HB   ALA  19          3HB       ALA  19  26.886  -6.448   5.219
  156    H    ALA  20           H        ALA  20  29.671  -4.801   3.111
  157    HA   ALA  20           HA       ALA  20  31.801  -6.599   2.813
  158   1HB   ALA  20          1HB       ALA  20  30.773  -4.916   1.143
  159   2HB   ALA  20          2HB       ALA  20  31.949  -3.775   1.795
  160   3HB   ALA  20          3HB       ALA  20  32.499  -5.256   1.012
  161    H    LEU  21           H        LEU  21  31.953  -3.282   4.057
  162    HA   LEU  21           HA       LEU  21  34.799  -3.470   4.647
  163   1HB   LEU  21          1HB       LEU  21  32.698  -1.423   4.746
  164   2HB   LEU  21          2HB       LEU  21  33.885  -1.272   6.042
  165    HG   LEU  21           HG       LEU  21  35.675  -1.535   4.223
  166   1HD1  LEU  21          1HD1      LEU  21  33.174  -1.189   2.571
  167   2HD1  LEU  21          2HD1      LEU  21  34.748  -0.674   1.962
  168   3HD1  LEU  21          3HD1      LEU  21  34.470  -2.368   2.369
  169   1HD2  LEU  21          1HD2      LEU  21  33.820   0.847   4.401
  170   2HD2  LEU  21          2HD2      LEU  21  35.376   0.619   5.199
  171   3HD2  LEU  21          3HD2      LEU  21  35.309   0.888   3.457
  172    H    SER  22           H        SER  22  32.036  -4.527   6.361
  173    HA   SER  22           HA       SER  22  32.685  -3.980   9.051
  174   1HB   SER  22          1HB       SER  22  30.859  -5.651   7.683
  175   2HB   SER  22          2HB       SER  22  31.719  -6.697   8.809
  176    HG   SER  22           HG       SER  22  31.227  -5.148  10.444
  177    HA   PRO  23           HA       PRO  23  35.469  -7.969   9.129
  178   1HB   PRO  23          1HB       PRO  23  35.952  -9.233   6.760
  179   2HB   PRO  23          2HB       PRO  23  34.605  -9.634   7.822
  180   1HG   PRO  23          1HG       PRO  23  34.598  -8.128   5.279
  181   2HG   PRO  23          2HG       PRO  23  33.348  -9.169   5.980
  182   1HD   PRO  23          1HD       PRO  23  33.309  -6.397   6.031
  183   2HD   PRO  23          2HD       PRO  23  32.381  -7.448   7.104
  184    H    ALA  24           H        ALA  24  35.881  -6.723   5.830
  185    HA   ALA  24           HA       ALA  24  38.648  -6.704   5.604
  186   1HB   ALA  24          1HB       ALA  24  36.537  -4.855   4.540
  187   2HB   ALA  24          2HB       ALA  24  38.238  -4.514   4.223
  188   3HB   ALA  24          3HB       ALA  24  37.525  -6.032   3.675
  189    H    ILE  25           H        ILE  25  36.705  -4.480   7.508
  190    HA   ILE  25           HA       ILE  25  38.849  -2.563   7.949
  191    HB   ILE  25           HB       ILE  25  36.131  -3.049   9.197
  192   1HG1  ILE  25          1HG1      ILE  25  36.274  -1.905   7.005
  193   2HG1  ILE  25          2HG1      ILE  25  35.672  -0.821   8.256
  194   1HG2  ILE  25          1HG2      ILE  25  38.145  -0.948  10.080
  195   2HG2  ILE  25          2HG2      ILE  25  36.463  -1.039  10.602
  196   3HG2  ILE  25          3HG2      ILE  25  37.596  -2.315  11.050
  197   1HD1  ILE  25          1HD1      ILE  25  38.453  -0.503   8.340
  198   2HD1  ILE  25          2HD1      ILE  25  38.074  -0.608   6.621
  199   3HD1  ILE  25          3HD1      ILE  25  37.295   0.616   7.622
  200    H    THR  26           H        THR  26  37.447  -5.244   9.827
  201    HA   THR  26           HA       THR  26  39.067  -5.027  12.137
  202    HB   THR  26           HB       THR  26  38.024  -7.575  10.868
  203    HG1  THR  26           HG1      THR  26  36.189  -6.635  11.236
  204   1HG2  THR  26          1HG2      THR  26  39.704  -7.690  12.805
  205   2HG2  THR  26          2HG2      THR  26  38.441  -6.960  13.796
  206   3HG2  THR  26          3HG2      THR  26  38.171  -8.530  13.040
  207    H    PHE  27           H        PHE  27  39.710  -6.785   9.087
  208    HA   PHE  27           HA       PHE  27  42.321  -7.687  10.081
  209   1HB   PHE  27          1HB       PHE  27  40.803  -8.054   7.504
  210   2HB   PHE  27          2HB       PHE  27  42.503  -8.505   7.625
  211    HD1  PHE  27           HD1      PHE  27  43.009  -9.779  10.017
  212    HD2  PHE  27           HD2      PHE  27  39.308  -9.794   7.836
  213    HE1  PHE  27           HE1      PHE  27  42.365 -11.904  11.122
  214    HE2  PHE  27           HE2      PHE  27  38.665 -11.919   8.941
  215    HZ   PHE  27           HZ       PHE  27  40.194 -12.974  10.584
  216    H    GLY  28           H        GLY  28  41.681  -6.216   6.901
  217   1HA   GLY  28          1HA       GLY  28  44.161  -4.640   7.206
  218   2HA   GLY  28          2HA       GLY  28  43.285  -4.897   5.699
  219    H    GLY  29           H        GLY  29  43.532  -2.511   5.474
  220   1HA   GLY  29          1HA       GLY  29  41.136  -1.113   6.005
  221   2HA   GLY  29          2HA       GLY  29  42.280  -0.667   7.272
  222    H    LEU  30           H        LEU  30  42.155  -0.991   3.710
  223    HA   LEU  30           HA       LEU  30  44.397   0.675   3.152
  224   1HB   LEU  30          1HB       LEU  30  42.689  -0.826   1.637
  225   2HB   LEU  30          2HB       LEU  30  42.144   0.801   1.231
  226    HG   LEU  30           HG       LEU  30  44.769   1.234   1.024
  227   1HD1  LEU  30          1HD1      LEU  30  44.407  -1.727   0.926
  228   2HD1  LEU  30          2HD1      LEU  30  45.513  -1.007  -0.243
  229   3HD1  LEU  30          3HD1      LEU  30  45.788  -0.783   1.484
  230   1HD2  LEU  30          1HD2      LEU  30  43.026   1.496  -0.750
  231   2HD2  LEU  30          2HD2      LEU  30  44.542   0.850  -1.378
  232   3HD2  LEU  30          3HD2      LEU  30  43.172  -0.226  -1.104
  233    H    LEU  31           H        LEU  31  44.414   2.915   2.416
  234    HA   LEU  31           HA       LEU  31  42.912   4.696   4.072
  235   1HB   LEU  31          1HB       LEU  31  45.155   4.978   2.598
  236   2HB   LEU  31          2HB       LEU  31  43.998   5.735   1.504
  237    HG   LEU  31           HG       LEU  31  43.230   6.858   3.856
  238   1HD1  LEU  31          1HD1      LEU  31  46.116   6.063   4.092
  239   2HD1  LEU  31          2HD1      LEU  31  45.581   7.590   4.796
  240   3HD1  LEU  31          3HD1      LEU  31  44.858   6.072   5.329
  241   1HD2  LEU  31          1HD2      LEU  31  45.179   7.655   1.722
  242   2HD2  LEU  31          2HD2      LEU  31  43.597   8.336   2.100
  243   3HD2  LEU  31          3HD2      LEU  31  44.984   8.712   3.120
  244    H    GLY  32           H        GLY  32  42.678   4.150   0.537
  245   1HA   GLY  32          1HA       GLY  32  39.870   3.997   0.397
  246   2HA   GLY  32          2HA       GLY  32  40.281   5.704   0.225
  247    H    GLU  33           H        GLU  33  40.001   6.086  -1.943
  248    HA   GLU  33           HA       GLU  33  40.625   4.155  -3.997
  249   1HB   GLU  33          1HB       GLU  33  40.278   7.159  -4.245
  250   2HB   GLU  33          2HB       GLU  33  40.188   5.988  -5.562
  251   1HG   GLU  33          1HG       GLU  33  38.223   4.960  -4.618
  252   2HG   GLU  33          2HG       GLU  33  38.378   5.903  -3.136
  253    H    LYS  34           H        LYS  34  42.267   7.175  -2.966
  254    HA   LYS  34           HA       LYS  34  44.809   5.971  -3.915
  255   1HB   LYS  34          1HB       LYS  34  45.499   8.137  -4.886
  256   2HB   LYS  34          2HB       LYS  34  44.061   7.506  -5.684
  257   1HG   LYS  34          1HG       LYS  34  42.640   9.063  -4.624
  258   2HG   LYS  34          2HG       LYS  34  43.824   9.423  -3.366
  259   1HD   LYS  34          1HD       LYS  34  45.285  10.501  -5.018
  260   2HD   LYS  34          2HD       LYS  34  44.144  10.107  -6.304
  261   1HE   LYS  34          1HE       LYS  34  42.443  11.374  -4.692
  262   2HE   LYS  34          2HE       LYS  34  43.925  12.151  -4.134
  263   1HZ   LYS  34          1HZ       LYS  34  44.425  12.599  -6.524
  264   2HZ   LYS  34          2HZ       LYS  34  42.857  12.074  -6.899
  265   3HZ   LYS  34          3HZ       LYS  34  43.081  13.438  -5.912
  Start of MODEL   20
    1   1H    ACE   1          HA1       ACE   1   3.780  -0.327 -12.795
    2   2H    ACE   1          HA2       ACE   1   4.530   0.696 -11.569
    3   3H    ACE   1          HA3       ACE   1   2.824   0.271 -11.439
    4    H    ARG   2           H        ARG   2   4.762  -2.296 -12.560
    5    HA   ARG   2           HA       ARG   2   4.323  -3.777 -10.080
    6   1HB   ARG   2          1HB       ARG   2   4.515  -4.485 -12.748
    7   2HB   ARG   2          2HB       ARG   2   6.048  -5.043 -12.088
    8   1HG   ARG   2          1HG       ARG   2   4.753  -6.172 -10.238
    9   2HG   ARG   2          2HG       ARG   2   3.273  -5.751 -11.100
   10   1HD   ARG   2          1HD       ARG   2   3.593  -7.352 -12.685
   11   2HD   ARG   2          2HD       ARG   2   5.332  -7.065 -12.765
   12    HE   ARG   2           HE       ARG   2   5.288  -8.335 -10.449
   13   1HH1  ARG   2          1HH1      ARG   2   2.358  -8.789 -11.850
   14   2HH1  ARG   2          2HH1      ARG   2   2.505 -10.495 -12.108
   15   1HH2  ARG   2          1HH2      ARG   2   5.891 -10.584 -11.356
   16   2HH2  ARG   2          2HH2      ARG   2   4.507 -11.512 -11.828
   17    H    TYR   3           H        TYR   3   7.330  -3.531 -12.005
   18    HA   TYR   3           HA       TYR   3   8.768  -2.728  -9.547
   19   1HB   TYR   3          1HB       TYR   3  10.561  -4.430 -10.076
   20   2HB   TYR   3          2HB       TYR   3   9.037  -5.118  -9.518
   21    HD1  TYR   3           HD1      TYR   3   7.437  -6.105 -11.154
   22    HD2  TYR   3           HD2      TYR   3  11.371  -4.828 -12.304
   23    HE1  TYR   3           HE1      TYR   3   7.258  -7.436 -13.242
   24    HE2  TYR   3           HE2      TYR   3  11.193  -6.156 -14.392
   25    HH   TYR   3           HH       TYR   3   8.409  -7.243 -15.644
   26    HA   PRO   4           HA       PRO   4  10.283  -0.642 -13.502
   27   1HB   PRO   4          1HB       PRO   4   9.099   1.796 -13.203
   28   2HB   PRO   4          2HB       PRO   4   8.357   0.454 -14.084
   29   1HG   PRO   4          1HG       PRO   4   7.647   1.582 -11.466
   30   2HG   PRO   4          2HG       PRO   4   6.669   0.619 -12.583
   31   1HD   PRO   4          1HD       PRO   4   7.973  -0.291 -10.212
   32   2HD   PRO   4          2HD       PRO   4   7.082  -1.249 -11.399
   33    H    TYR   5           H        TYR   5   9.569   1.802 -11.026
   34    HA   TYR   5           HA       TYR   5  12.209   2.884 -11.027
   35   1HB   TYR   5          1HB       TYR   5   9.936   3.882 -10.186
   36   2HB   TYR   5          2HB       TYR   5  10.386   3.134  -8.653
   37    HD1  TYR   5           HD1      TYR   5  12.257   4.952 -11.362
   38    HD2  TYR   5           HD2      TYR   5  11.346   4.646  -7.175
   39    HE1  TYR   5           HE1      TYR   5  13.799   6.836 -10.888
   40    HE2  TYR   5           HE2      TYR   5  12.887   6.530  -6.702
   41    HH   TYR   5           HH       TYR   5  15.067   7.501  -8.041
   42    H    TYR   6           H        TYR   6  10.972   0.070  -9.471
   43    HA   TYR   6           HA       TYR   6  12.440  -0.073  -7.080
   44   1HB   TYR   6          1HB       TYR   6  10.746  -1.737  -7.803
   45   2HB   TYR   6          2HB       TYR   6  11.873  -2.339  -9.015
   46    HD1  TYR   6           HD1      TYR   6  12.256  -1.340  -5.410
   47    HD2  TYR   6           HD2      TYR   6  12.728  -4.409  -8.379
   48    HE1  TYR   6           HE1      TYR   6  13.301  -2.818  -3.716
   49    HE2  TYR   6           HE2      TYR   6  13.773  -5.887  -6.684
   50    HH   TYR   6           HH       TYR   6  13.564  -5.376  -3.422
   51    H    LEU   7           H        LEU   7  13.627  -0.256 -10.357
   52    HA   LEU   7           HA       LEU   7  16.110  -1.617  -9.714
   53   1HB   LEU   7          1HB       LEU   7  15.046  -1.504 -12.009
   54   2HB   LEU   7          2HB       LEU   7  15.566   0.181 -12.088
   55    HG   LEU   7           HG       LEU   7  17.918  -0.750 -11.482
   56   1HD1  LEU   7          1HD1      LEU   7  17.123  -3.019 -10.905
   57   2HD1  LEU   7          2HD1      LEU   7  16.565  -3.240 -12.563
   58   3HD1  LEU   7          3HD1      LEU   7  18.288  -3.067 -12.228
   59   1HD2  LEU   7          1HD2      LEU   7  16.795  -0.002 -13.813
   60   2HD2  LEU   7          2HD2      LEU   7  18.442  -0.626 -13.720
   61   3HD2  LEU   7          3HD2      LEU   7  17.120  -1.693 -14.196
   62    H    SER   8           H        SER   8  15.152   1.792 -10.044
   63    HA   SER   8           HA       SER   8  17.860   2.791  -9.700
   64   1HB   SER   8          1HB       SER   8  15.238   4.262  -9.345
   65   2HB   SER   8          2HB       SER   8  16.823   4.987  -9.596
   66    HG   SER   8           HG       SER   8  16.880   3.989 -11.634
   67    H    ASP   9           H        ASP   9  15.224   1.977  -7.540
   68    HA   ASP   9           HA       ASP   9  16.199   3.463  -5.259
   69   1HB   ASP   9          1HB       ASP   9  14.151   1.363  -5.754
   70   2HB   ASP   9          2HB       ASP   9  14.759   1.502  -4.104
   71    H    ILE  10           H        ILE  10  16.455   0.016  -6.189
   72    HA   ILE  10           HA       ILE  10  18.038  -0.767  -3.948
   73    HB   ILE  10           HB       ILE  10  16.832  -2.272  -5.602
   74   1HG1  ILE  10          1HG1      ILE  10  19.726  -3.001  -5.124
   75   2HG1  ILE  10          2HG1      ILE  10  18.499  -3.017  -3.856
   76   1HG2  ILE  10          1HG2      ILE  10  17.769  -1.276  -7.674
   77   2HG2  ILE  10          2HG2      ILE  10  19.350  -1.924  -7.235
   78   3HG2  ILE  10          3HG2      ILE  10  18.013  -3.020  -7.586
   79   1HD1  ILE  10          1HD1      ILE  10  17.139  -4.522  -5.459
   80   2HD1  ILE  10          2HD1      ILE  10  18.658  -4.736  -6.330
   81   3HD1  ILE  10          3HD1      ILE  10  18.527  -5.245  -4.646
   82    H    THR  11           H        THR  11  18.990   0.282  -7.203
   83    HA   THR  11           HA       THR  11  21.781  -0.006  -6.991
   84    HB   THR  11           HB       THR  11  21.712   2.139  -8.535
   85    HG1  THR  11           HG1      THR  11  19.785   2.833  -8.962
   86   1HG2  THR  11          1HG2      THR  11  20.663  -0.627  -9.073
   87   2HG2  THR  11          2HG2      THR  11  20.721   0.572 -10.366
   88   3HG2  THR  11          3HG2      THR  11  22.206   0.082  -9.549
   89    H    ASP  12           H        ASP  12  19.724   2.612  -5.752
   90    HA   ASP  12           HA       ASP  12  21.919   4.335  -4.990
   91   1HB   ASP  12          1HB       ASP  12  18.989   4.217  -4.483
   92   2HB   ASP  12          2HB       ASP  12  19.955   5.094  -3.296
   93    H    VAL  13           H        VAL  13  20.172   1.719  -3.429
   94    HA   VAL  13           HA       VAL  13  21.204   2.104  -0.782
   95    HB   VAL  13           HB       VAL  13  20.294  -0.462  -2.091
   96   1HG1  VAL  13          1HG1      VAL  13  20.564   0.409   0.799
   97   2HG1  VAL  13          2HG1      VAL  13  19.710  -1.048   0.291
   98   3HG1  VAL  13          3HG1      VAL  13  21.443  -0.895   0.000
   99   1HG2  VAL  13          1HG2      VAL  13  18.727   1.627  -2.078
  100   2HG2  VAL  13          2HG2      VAL  13  18.089   0.091  -1.493
  101   3HG2  VAL  13          3HG2      VAL  13  18.613   1.323  -0.346
  102    H    ILE  14           H        ILE  14  22.501   0.517  -3.643
  103    HA   ILE  14           HA       ILE  14  24.614  -0.871  -2.197
  104    HB   ILE  14           HB       ILE  14  24.034  -0.369  -5.128
  105   1HG1  ILE  14          1HG1      ILE  14  24.219  -3.013  -4.878
  106   2HG1  ILE  14          2HG1      ILE  14  23.887  -2.641  -3.187
  107   1HG2  ILE  14          1HG2      ILE  14  26.562  -1.409  -3.868
  108   2HG2  ILE  14          2HG2      ILE  14  26.001  -2.123  -5.381
  109   3HG2  ILE  14          3HG2      ILE  14  26.368  -0.400  -5.302
  110   1HD1  ILE  14          1HD1      ILE  14  22.201  -1.432  -5.364
  111   2HD1  ILE  14          2HD1      ILE  14  21.879  -3.069  -4.792
  112   3HD1  ILE  14          3HD1      ILE  14  21.792  -1.711  -3.671
  113    H    PHE  15           H        PHE  15  24.326   2.204  -3.931
  114    HA   PHE  15           HA       PHE  15  27.097   2.895  -3.951
  115   1HB   PHE  15          1HB       PHE  15  25.103   4.059  -5.128
  116   2HB   PHE  15          2HB       PHE  15  24.894   4.925  -3.606
  117    HD1  PHE  15           HD1      PHE  15  27.772   3.882  -5.790
  118    HD2  PHE  15           HD2      PHE  15  25.903   7.019  -3.528
  119    HE1  PHE  15           HE1      PHE  15  29.606   5.429  -6.419
  120    HE2  PHE  15           HE2      PHE  15  27.738   8.565  -4.155
  121    HZ   PHE  15           HZ       PHE  15  29.590   7.770  -5.602
  122    H    ILE  16           H        ILE  16  24.557   3.477  -1.522
  123    HA   ILE  16           HA       ILE  16  26.332   4.932   0.262
  124    HB   ILE  16           HB       ILE  16  23.687   3.578   0.871
  125   1HG1  ILE  16          1HG1      ILE  16  23.491   5.187  -0.994
  126   2HG1  ILE  16          2HG1      ILE  16  22.695   5.803   0.451
  127   1HG2  ILE  16          1HG2      ILE  16  25.551   5.304   2.395
  128   2HG2  ILE  16          2HG2      ILE  16  23.851   5.763   2.488
  129   3HG2  ILE  16          3HG2      ILE  16  24.355   4.145   2.977
  130   1HD1  ILE  16          1HD1      ILE  16  25.296   6.743   0.719
  131   2HD1  ILE  16          2HD1      ILE  16  24.993   6.885  -1.012
  132   3HD1  ILE  16          3HD1      ILE  16  23.921   7.682   0.139
  133    H    TYR  17           H        TYR  17  25.587   1.561  -0.274
  134    HA   TYR  17           HA       TYR  17  26.292   0.471   2.253
  135   1HB   TYR  17          1HB       TYR  17  25.384  -0.628   0.004
  136   2HB   TYR  17          2HB       TYR  17  27.097  -0.961  -0.247
  137    HD1  TYR  17           HD1      TYR  17  28.348  -1.850   1.966
  138    HD2  TYR  17           HD2      TYR  17  24.146  -2.227   1.159
  139    HE1  TYR  17           HE1      TYR  17  28.214  -3.755   3.548
  140    HE2  TYR  17           HE2      TYR  17  24.012  -4.131   2.743
  141    HH   TYR  17           HH       TYR  17  26.552  -5.848   3.766
  142    H    PHE  18           H        PHE  18  28.368   0.921  -0.636
  143    HA   PHE  18           HA       PHE  18  30.797   0.240   0.820
  144   1HB   PHE  18          1HB       PHE  18  30.318   0.092  -1.731
  145   2HB   PHE  18          2HB       PHE  18  30.722   1.802  -1.752
  146    HD1  PHE  18           HD1      PHE  18  32.100  -1.186   0.071
  147    HD2  PHE  18           HD2      PHE  18  32.893   2.179  -2.479
  148    HE1  PHE  18           HE1      PHE  18  34.522  -1.721   0.115
  149    HE2  PHE  18           HE2      PHE  18  35.313   1.642  -2.435
  150    HZ   PHE  18           HZ       PHE  18  36.128  -0.307  -1.137
  151    H    ALA  19           H        ALA  19  29.153   3.178  -0.135
  152    HA   ALA  19           HA       ALA  19  31.005   5.203   0.261
  153   1HB   ALA  19          1HB       ALA  19  28.608   5.512  -0.353
  154   2HB   ALA  19          2HB       ALA  19  28.171   5.208   1.328
  155   3HB   ALA  19          3HB       ALA  19  29.134   6.625   0.910
  156    H    ALA  20           H        ALA  20  29.103   3.623   2.777
  157    HA   ALA  20           HA       ALA  20  29.862   5.071   5.045
  158   1HB   ALA  20          1HB       ALA  20  29.298   2.131   4.673
  159   2HB   ALA  20          2HB       ALA  20  29.569   2.844   6.263
  160   3HB   ALA  20          3HB       ALA  20  28.207   3.378   5.278
  161    H    LEU  21           H        LEU  21  31.490   2.172   3.794
  162    HA   LEU  21           HA       LEU  21  33.727   2.534   5.661
  163   1HB   LEU  21          1HB       LEU  21  32.622   0.401   4.090
  164   2HB   LEU  21          2HB       LEU  21  34.340   0.542   3.725
  165    HG   LEU  21           HG       LEU  21  33.630   0.745   6.599
  166   1HD1  LEU  21          1HD1      LEU  21  32.195  -1.139   5.401
  167   2HD1  LEU  21          2HD1      LEU  21  33.721  -2.021   5.450
  168   3HD1  LEU  21          3HD1      LEU  21  32.982  -1.454   6.948
  169   1HD2  LEU  21          1HD2      LEU  21  35.785  -0.393   4.855
  170   2HD2  LEU  21          2HD2      LEU  21  35.924   0.678   6.249
  171   3HD2  LEU  21          3HD2      LEU  21  35.597  -1.039   6.486
  172    H    SER  22           H        SER  22  33.028   3.832   2.635
  173    HA   SER  22           HA       SER  22  35.374   3.688   1.140
  174   1HB   SER  22          1HB       SER  22  33.536   4.826   0.176
  175   2HB   SER  22          2HB       SER  22  33.417   5.954   1.520
  176    HG   SER  22           HG       SER  22  34.454   6.923  -0.245
  177    HA   PRO  23           HA       PRO  23  37.308   7.362   3.667
  178   1HB   PRO  23          1HB       PRO  23  36.252   7.907   6.122
  179   2HB   PRO  23          2HB       PRO  23  35.734   8.704   4.639
  180   1HG   PRO  23          1HG       PRO  23  34.376   6.600   6.203
  181   2HG   PRO  23          2HG       PRO  23  33.685   7.903   5.221
  182   1HD   PRO  23          1HD       PRO  23  33.890   5.255   4.439
  183   2HD   PRO  23          2HD       PRO  23  33.656   6.622   3.346
  184    H    ALA  24           H        ALA  24  35.823   5.225   6.068
  185    HA   ALA  24           HA       ALA  24  37.937   4.864   7.838
  186   1HB   ALA  24          1HB       ALA  24  35.707   3.087   6.936
  187   2HB   ALA  24          2HB       ALA  24  36.961   2.403   7.970
  188   3HB   ALA  24          3HB       ALA  24  36.013   3.782   8.528
  189    H    ILE  25           H        ILE  25  37.654   3.491   4.614
  190    HA   ILE  25           HA       ILE  25  39.771   1.534   4.992
  191    HB   ILE  25           HB       ILE  25  38.510   2.658   2.464
  192   1HG1  ILE  25          1HG1      ILE  25  38.174  -0.101   3.637
  193   2HG1  ILE  25          2HG1      ILE  25  37.174   1.240   4.192
  194   1HG2  ILE  25          1HG2      ILE  25  40.563   0.482   2.924
  195   2HG2  ILE  25          2HG2      ILE  25  39.500   0.454   1.517
  196   3HG2  ILE  25          3HG2      ILE  25  40.612   1.803   1.756
  197   1HD1  ILE  25          1HD1      ILE  25  37.372   1.061   1.261
  198   2HD1  ILE  25          2HD1      ILE  25  36.616  -0.346   2.006
  199   3HD1  ILE  25          3HD1      ILE  25  35.948   1.261   2.282
  200    H    THR  26           H        THR  26  39.608   4.801   3.546
  201    HA   THR  26           HA       THR  26  42.271   4.966   2.593
  202    HB   THR  26           HB       THR  26  40.698   7.220   3.873
  203    HG1  THR  26           HG1      THR  26  39.366   6.775   2.315
  204   1HG2  THR  26          1HG2      THR  26  42.971   7.083   1.885
  205   2HG2  THR  26          2HG2      THR  26  41.986   8.529   2.106
  206   3HG2  THR  26          3HG2      THR  26  42.947   7.904   3.446
  207    H    PHE  27           H        PHE  27  40.973   5.412   5.850
  208    HA   PHE  27           HA       PHE  27  43.443   6.371   7.017
  209   1HB   PHE  27          1HB       PHE  27  40.979   5.076   8.222
  210   2HB   PHE  27          2HB       PHE  27  42.304   5.735   9.178
  211    HD1  PHE  27           HD1      PHE  27  43.079   8.190   8.052
  212    HD2  PHE  27           HD2      PHE  27  39.136   6.490   8.169
  213    HE1  PHE  27           HE1      PHE  27  42.095  10.458   7.855
  214    HE2  PHE  27           HE2      PHE  27  38.152   8.758   7.971
  215    HZ   PHE  27           HZ       PHE  27  39.631  10.742   7.814
  216    H    GLY  28           H        GLY  28  44.021   4.747   9.136
  217   1HA   GLY  28          1HA       GLY  28  45.559   2.638   7.978
  218   2HA   GLY  28          2HA       GLY  28  45.228   2.814   9.703
  219    H    GLY  29           H        GLY  29  45.219   0.285   9.082
  220   1HA   GLY  29          1HA       GLY  29  42.346  -0.451   8.885
  221   2HA   GLY  29          2HA       GLY  29  43.530  -1.319   7.911
  222    H    LEU  30           H        LEU  30  43.933  -0.159  11.237
  223    HA   LEU  30           HA       LEU  30  45.069  -2.626  12.145
  224   1HB   LEU  30          1HB       LEU  30  45.155  -0.204  13.172
  225   2HB   LEU  30          2HB       LEU  30  43.705  -0.727  14.031
  226    HG   LEU  30           HG       LEU  30  45.058  -2.824  14.676
  227   1HD1  LEU  30          1HD1      LEU  30  47.306  -0.967  13.837
  228   2HD1  LEU  30          2HD1      LEU  30  47.507  -2.497  14.689
  229   3HD1  LEU  30          3HD1      LEU  30  46.875  -2.481  13.043
  230   1HD2  LEU  30          1HD2      LEU  30  44.561  -0.582  16.019
  231   2HD2  LEU  30          2HD2      LEU  30  45.656  -1.801  16.672
  232   3HD2  LEU  30          3HD2      LEU  30  46.306  -0.373  15.865
  233    H    LEU  31           H        LEU  31  44.140  -4.217  13.555
  234    HA   LEU  31           HA       LEU  31  41.501  -5.063  12.861
  235   1HB   LEU  31          1HB       LEU  31  43.293  -5.833  15.182
  236   2HB   LEU  31          2HB       LEU  31  41.792  -6.667  14.780
  237    HG   LEU  31           HG       LEU  31  43.558  -6.319  12.455
  238   1HD1  LEU  31          1HD1      LEU  31  45.185  -6.617  14.412
  239   2HD1  LEU  31          2HD1      LEU  31  44.496  -8.229  14.604
  240   3HD1  LEU  31          3HD1      LEU  31  45.314  -7.792  13.103
  241   1HD2  LEU  31          1HD2      LEU  31  41.517  -7.793  12.636
  242   2HD2  LEU  31          2HD2      LEU  31  42.963  -8.638  12.084
  243   3HD2  LEU  31          3HD2      LEU  31  42.422  -8.815  13.753
  244    H    GLY  32           H        GLY  32  42.753  -3.546  15.847
  245   1HA   GLY  32          1HA       GLY  32  41.639  -2.161  17.390
  246   2HA   GLY  32          2HA       GLY  32  40.273  -2.102  16.274
  247    H    GLU  33           H        GLU  33  41.598  -3.667  19.070
  248    HA   GLU  33           HA       GLU  33  39.568  -5.785  19.120
  249   1HB   GLU  33          1HB       GLU  33  41.799  -4.942  20.966
  250   2HB   GLU  33          2HB       GLU  33  40.588  -6.116  21.483
  251   1HG   GLU  33          1HG       GLU  33  42.307  -7.452  20.566
  252   2HG   GLU  33          2HG       GLU  33  41.118  -7.343  19.268
  253    H    LYS  34           H        LYS  34  40.285  -2.803  20.940
  254    HA   LYS  34           HA       LYS  34  37.428  -2.457  21.494
  255   1HB   LYS  34          1HB       LYS  34  38.280  -3.958  23.341
  256   2HB   LYS  34          2HB       LYS  34  39.361  -2.648  23.820
  257   1HG   LYS  34          1HG       LYS  34  37.282  -1.164  23.941
  258   2HG   LYS  34          2HG       LYS  34  36.337  -2.647  23.813
  259   1HD   LYS  34          1HD       LYS  34  37.446  -3.543  25.820
  260   2HD   LYS  34          2HD       LYS  34  38.416  -2.075  25.945
  261   1HE   LYS  34          1HE       LYS  34  36.089  -0.861  25.925
  262   2HE   LYS  34          2HE       LYS  34  35.470  -2.438  26.414
  263   1HZ   LYS  34          1HZ       LYS  34  37.734  -1.121  27.793
  264   2HZ   LYS  34          2HZ       LYS  34  36.122  -0.872  28.256
  265   3HZ   LYS  34          3HZ       LYS  34  36.796  -2.430  28.333
  Start of MODEL   21
    1   1H    ACE   1          HA1       ACE   1   4.409  14.040  -5.197
    2   2H    ACE   1          HA2       ACE   1   5.573  13.334  -4.076
    3   3H    ACE   1          HA3       ACE   1   5.347  12.626  -5.676
    4    H    ARG   2           H        ARG   2   7.702  14.004  -4.196
    5    HA   ARG   2           HA       ARG   2   8.406  15.860  -6.419
    6   1HB   ARG   2          1HB       ARG   2   8.752  16.100  -3.468
    7   2HB   ARG   2          2HB       ARG   2  10.046  16.728  -4.490
    8   1HG   ARG   2          1HG       ARG   2   7.932  17.757  -5.804
    9   2HG   ARG   2          2HG       ARG   2   7.242  17.680  -4.183
   10   1HD   ARG   2          1HD       ARG   2   8.520  19.396  -3.453
   11   2HD   ARG   2          2HD       ARG   2   9.979  18.721  -4.176
   12    HE   ARG   2           HE       ARG   2   8.006  20.393  -5.679
   13   1HH1  ARG   2          1HH1      ARG   2  10.560  18.417  -6.338
   14   2HH1  ARG   2          2HH1      ARG   2  11.586  19.629  -7.031
   15   1HH2  ARG   2          1HH2      ARG   2   9.578  22.275  -6.033
   16   2HH2  ARG   2          2HH2      ARG   2  11.029  21.813  -6.857
   17    H    TYR   3           H        TYR   3   9.632  13.515  -4.062
   18    HA   TYR   3           HA       TYR   3  11.719  12.751  -6.020
   19   1HB   TYR   3          1HB       TYR   3  13.383  12.613  -4.133
   20   2HB   TYR   3          2HB       TYR   3  12.887  14.257  -4.533
   21    HD1  TYR   3           HD1      TYR   3  11.016  15.330  -3.167
   22    HD2  TYR   3           HD2      TYR   3  13.029  11.732  -1.970
   23    HE1  TYR   3           HE1      TYR   3  10.227  15.665  -0.838
   24    HE2  TYR   3           HE2      TYR   3  12.241  12.065   0.361
   25    HH   TYR   3           HH       TYR   3  10.145  13.355   1.423
   26    HA   PRO   4           HA       PRO   4   9.577   9.125  -3.898
   27   1HB   PRO   4          1HB       PRO   4   8.117   8.247  -6.028
   28   2HB   PRO   4          2HB       PRO   4   7.508   9.398  -4.838
   29   1HG   PRO   4          1HG       PRO   4   8.324   9.856  -7.622
   30   2HG   PRO   4          2HG       PRO   4   7.232  10.797  -6.595
   31   1HD   PRO   4          1HD       PRO   4   9.929  11.421  -7.219
   32   2HD   PRO   4          2HD       PRO   4   8.881  12.235  -6.050
   33    H    TYR   5           H        TYR   5  10.085   8.947  -7.406
   34    HA   TYR   5           HA       TYR   5  11.236   6.355  -7.430
   35   1HB   TYR   5          1HB       TYR   5  10.372   7.910  -9.372
   36   2HB   TYR   5          2HB       TYR   5  12.059   8.422  -9.444
   37    HD1  TYR   5           HD1      TYR   5  13.866   6.631  -9.683
   38    HD2  TYR   5           HD2      TYR   5   9.689   5.844 -10.301
   39    HE1  TYR   5           HE1      TYR   5  14.439   4.572 -10.940
   40    HE2  TYR   5           HE2      TYR   5  10.263   3.785 -11.559
   41    HH   TYR   5           HH       TYR   5  12.410   2.147 -11.521
   42    H    TYR   6           H        TYR   6  12.644   9.393  -6.503
   43    HA   TYR   6           HA       TYR   6  15.401   8.750  -7.054
   44   1HB   TYR   6          1HB       TYR   6  14.067  11.002  -6.309
   45   2HB   TYR   6          2HB       TYR   6  14.774  10.529  -4.769
   46    HD1  TYR   6           HD1      TYR   6  17.355   9.456  -5.321
   47    HD2  TYR   6           HD2      TYR   6  15.321  12.650  -7.350
   48    HE1  TYR   6           HE1      TYR   6  19.535  10.379  -6.058
   49    HE2  TYR   6           HE2      TYR   6  17.501  13.572  -8.084
   50    HH   TYR   6           HH       TYR   6  20.026  13.365  -7.044
   51    H    LEU   7           H        LEU   7  13.257   8.258  -4.294
   52    HA   LEU   7           HA       LEU   7  15.173   7.477  -2.359
   53   1HB   LEU   7          1HB       LEU   7  12.272   7.253  -2.720
   54   2HB   LEU   7          2HB       LEU   7  12.945   5.898  -1.816
   55    HG   LEU   7           HG       LEU   7  14.203   7.683  -0.438
   56   1HD1  LEU   7          1HD1      LEU   7  12.058   9.388  -1.742
   57   2HD1  LEU   7          2HD1      LEU   7  13.066   9.889  -0.384
   58   3HD1  LEU   7          3HD1      LEU   7  13.800   9.571  -1.956
   59   1HD2  LEU   7          1HD2      LEU   7  12.131   6.326   0.228
   60   2HD2  LEU   7          2HD2      LEU   7  12.380   7.840   1.096
   61   3HD2  LEU   7          3HD2      LEU   7  11.188   7.753  -0.200
   62    H    SER   8           H        SER   8  13.360   5.415  -4.664
   63    HA   SER   8           HA       SER   8  14.427   2.930  -3.835
   64   1HB   SER   8          1HB       SER   8  12.526   3.244  -5.439
   65   2HB   SER   8          2HB       SER   8  13.699   3.696  -6.673
   66    HG   SER   8           HG       SER   8  14.105   1.659  -6.938
   67    H    ASP   9           H        ASP   9  15.997   5.487  -5.591
   68    HA   ASP   9           HA       ASP   9  18.010   3.771  -6.818
   69   1HB   ASP   9          1HB       ASP   9  17.446   6.678  -6.677
   70   2HB   ASP   9          2HB       ASP   9  19.142   6.237  -6.873
   71    H    ILE  10           H        ILE  10  17.971   5.997  -4.019
   72    HA   ILE  10           HA       ILE  10  20.701   5.412  -3.269
   73    HB   ILE  10           HB       ILE  10  18.475   6.483  -1.511
   74   1HG1  ILE  10          1HG1      ILE  10  20.500   8.182  -2.946
   75   2HG1  ILE  10          2HG1      ILE  10  19.042   7.674  -3.793
   76   1HG2  ILE  10          1HG2      ILE  10  21.441   6.216  -1.291
   77   2HG2  ILE  10          2HG2      ILE  10  20.709   7.686  -0.648
   78   3HG2  ILE  10          3HG2      ILE  10  20.209   6.110  -0.034
   79   1HD1  ILE  10          1HD1      ILE  10  18.378   8.633  -1.136
   80   2HD1  ILE  10          2HD1      ILE  10  19.295   9.850  -2.024
   81   3HD1  ILE  10          3HD1      ILE  10  17.802   9.205  -2.702
   82    H    THR  11           H        THR  11  17.714   3.712  -2.797
   83    HA   THR  11           HA       THR  11  18.619   2.282  -0.408
   84    HB   THR  11           HB       THR  11  16.381   1.281  -2.129
   85    HG1  THR  11           HG1      THR  11  16.278   3.595  -0.494
   86   1HG2  THR  11          1HG2      THR  11  16.862   1.607   0.842
   87   2HG2  THR  11          2HG2      THR  11  15.350   1.018   0.152
   88   3HG2  THR  11          3HG2      THR  11  16.839   0.100  -0.074
   89    H    ASP  12           H        ASP  12  18.310   1.576  -3.886
   90    HA   ASP  12           HA       ASP  12  19.163  -1.172  -3.665
   91   1HB   ASP  12          1HB       ASP  12  18.763   0.787  -5.877
   92   2HB   ASP  12          2HB       ASP  12  19.801  -0.600  -6.207
   93    H    VAL  13           H        VAL  13  20.844   1.891  -3.983
   94    HA   VAL  13           HA       VAL  13  23.416   0.729  -4.662
   95    HB   VAL  13           HB       VAL  13  22.818   3.433  -3.459
   96   1HG1  VAL  13          1HG1      VAL  13  25.248   2.251  -3.742
   97   2HG1  VAL  13          2HG1      VAL  13  25.078   3.002  -5.328
   98   3HG1  VAL  13          3HG1      VAL  13  24.997   3.992  -3.872
   99   1HG2  VAL  13          1HG2      VAL  13  21.751   2.586  -5.779
  100   2HG2  VAL  13          2HG2      VAL  13  22.313   4.243  -5.557
  101   3HG2  VAL  13          3HG2      VAL  13  23.343   3.064  -6.370
  102    H    ILE  14           H        ILE  14  21.816   1.711  -1.662
  103    HA   ILE  14           HA       ILE  14  24.171   1.251  -0.012
  104    HB   ILE  14           HB       ILE  14  21.241   1.569   0.726
  105   1HG1  ILE  14          1HG1      ILE  14  23.495   3.575   0.954
  106   2HG1  ILE  14          2HG1      ILE  14  22.455   3.480  -0.466
  107   1HG2  ILE  14          1HG2      ILE  14  23.768   1.348   2.356
  108   2HG2  ILE  14          2HG2      ILE  14  22.415   2.313   2.947
  109   3HG2  ILE  14          3HG2      ILE  14  22.200   0.591   2.636
  110   1HD1  ILE  14          1HD1      ILE  14  21.508   3.916   2.382
  111   2HD1  ILE  14          2HD1      ILE  14  21.615   5.162   1.138
  112   3HD1  ILE  14          3HD1      ILE  14  20.471   3.830   0.958
  113    H    PHE  15           H        PHE  15  21.531  -0.720  -1.191
  114    HA   PHE  15           HA       PHE  15  21.714  -2.819   0.769
  115   1HB   PHE  15          1HB       PHE  15  20.052  -2.190  -1.347
  116   2HB   PHE  15          2HB       PHE  15  20.920  -3.590  -1.959
  117    HD1  PHE  15           HD1      PHE  15  20.734  -5.781  -0.831
  118    HD2  PHE  15           HD2      PHE  15  18.573  -2.342   0.567
  119    HE1  PHE  15           HE1      PHE  15  19.287  -7.249   0.550
  120    HE2  PHE  15           HE2      PHE  15  17.126  -3.809   1.944
  121    HZ   PHE  15           HZ       PHE  15  17.483  -6.263   1.936
  122    H    ILE  16           H        ILE  16  22.869  -2.661  -2.609
  123    HA   ILE  16           HA       ILE  16  24.529  -4.996  -2.431
  124    HB   ILE  16           HB       ILE  16  24.763  -2.611  -4.294
  125   1HG1  ILE  16          1HG1      ILE  16  22.512  -3.651  -4.316
  126   2HG1  ILE  16          2HG1      ILE  16  23.369  -3.934  -5.829
  127   1HG2  ILE  16          1HG2      ILE  16  26.754  -4.135  -4.215
  128   2HG2  ILE  16          2HG2      ILE  16  25.699  -5.470  -4.679
  129   3HG2  ILE  16          3HG2      ILE  16  25.949  -4.118  -5.783
  130   1HD1  ILE  16          1HD1      ILE  16  24.071  -6.177  -4.941
  131   2HD1  ILE  16          2HD1      ILE  16  23.049  -5.891  -3.532
  132   3HD1  ILE  16          3HD1      ILE  16  22.326  -6.015  -5.136
  133    H    TYR  17           H        TYR  17  25.005  -1.710  -1.345
  134    HA   TYR  17           HA       TYR  17  27.869  -1.641  -1.435
  135   1HB   TYR  17          1HB       TYR  17  26.020   0.206  -0.774
  136   2HB   TYR  17          2HB       TYR  17  26.498  -0.301   0.845
  137    HD1  TYR  17           HD1      TYR  17  27.733   1.076  -2.370
  138    HD2  TYR  17           HD2      TYR  17  28.670   0.216   1.732
  139    HE1  TYR  17           HE1      TYR  17  29.818   2.406  -2.568
  140    HE2  TYR  17           HE2      TYR  17  30.757   1.542   1.534
  141    HH   TYR  17           HH       TYR  17  32.232   2.259  -1.100
  142    H    PHE  18           H        PHE  18  25.646  -2.517   1.235
  143    HA   PHE  18           HA       PHE  18  27.662  -3.294   3.094
  144   1HB   PHE  18          1HB       PHE  18  24.757  -3.958   2.725
  145   2HB   PHE  18          2HB       PHE  18  25.701  -4.863   3.905
  146    HD1  PHE  18           HD1      PHE  18  27.333  -3.255   5.380
  147    HD2  PHE  18           HD2      PHE  18  23.650  -2.075   3.508
  148    HE1  PHE  18           HE1      PHE  18  27.120  -1.373   6.983
  149    HE2  PHE  18           HE2      PHE  18  23.438  -0.195   5.112
  150    HZ   PHE  18           HZ       PHE  18  25.172   0.156   6.848
  151    H    ALA  19           H        ALA  19  26.171  -4.975   0.401
  152    HA   ALA  19           HA       ALA  19  26.989  -7.642   1.002
  153   1HB   ALA  19          1HB       ALA  19  25.390  -6.751  -0.834
  154   2HB   ALA  19          2HB       ALA  19  26.850  -6.528  -1.797
  155   3HB   ALA  19          3HB       ALA  19  26.404  -8.138  -1.232
  156    H    ALA  20           H        ALA  20  28.530  -5.365  -1.285
  157    HA   ALA  20           HA       ALA  20  30.852  -6.898  -1.803
  158   1HB   ALA  20          1HB       ALA  20  29.964  -4.750  -2.945
  159   2HB   ALA  20          2HB       ALA  20  30.879  -3.893  -1.704
  160   3HB   ALA  20          3HB       ALA  20  31.712  -4.965  -2.830
  161    H    LEU  21           H        LEU  21  30.404  -4.273   0.526
  162    HA   LEU  21           HA       LEU  21  33.086  -4.515   1.607
  163   1HB   LEU  21          1HB       LEU  21  30.731  -2.808   1.990
  164   2HB   LEU  21          2HB       LEU  21  31.627  -3.096   3.479
  165    HG   LEU  21           HG       LEU  21  32.453  -1.086   2.289
  166   1HD1  LEU  21          1HD1      LEU  21  34.101  -3.450   2.909
  167   2HD1  LEU  21          2HD1      LEU  21  34.894  -2.268   1.872
  168   3HD1  LEU  21          3HD1      LEU  21  34.273  -1.782   3.449
  169   1HD2  LEU  21          1HD2      LEU  21  31.906  -2.139  -0.017
  170   2HD2  LEU  21          2HD2      LEU  21  33.372  -1.167   0.109
  171   3HD2  LEU  21          3HD2      LEU  21  33.477  -2.928   0.124
  172    H    SER  22           H        SER  22  30.272  -6.359   2.160
  173    HA   SER  22           HA       SER  22  30.256  -6.821   4.926
  174   1HB   SER  22          1HB       SER  22  28.529  -7.913   3.843
  175   2HB   SER  22          2HB       SER  22  29.559  -8.492   2.543
  176    HG   SER  22           HG       SER  22  29.390 -10.279   3.689
  177    HA   PRO  23           HA       PRO  23  33.666 -10.276   4.455
  178   1HB   PRO  23          1HB       PRO  23  34.993 -10.423   2.074
  179   2HB   PRO  23          2HB       PRO  23  33.540 -11.350   2.439
  180   1HG   PRO  23          1HG       PRO  23  33.839  -8.919   0.769
  181   2HG   PRO  23          2HG       PRO  23  32.753 -10.304   0.566
  182   1HD   PRO  23          1HD       PRO  23  31.961  -7.883   1.593
  183   2HD   PRO  23          2HD       PRO  23  31.152  -9.418   1.926
  184    H    ALA  24           H        ALA  24  34.540  -7.720   2.168
  185    HA   ALA  24           HA       ALA  24  37.221  -7.323   2.812
  186   1HB   ALA  24          1HB       ALA  24  35.051  -5.539   1.815
  187   2HB   ALA  24          2HB       ALA  24  36.554  -4.780   2.338
  188   3HB   ALA  24          3HB       ALA  24  36.577  -5.987   1.053
  189    H    ILE  25           H        ILE  25  34.443  -6.410   4.741
  190    HA   ILE  25           HA       ILE  25  36.074  -4.732   6.535
  191    HB   ILE  25           HB       ILE  25  33.134  -5.498   6.550
  192   1HG1  ILE  25          1HG1      ILE  25  33.849  -3.900   4.799
  193   2HG1  ILE  25          2HG1      ILE  25  32.807  -3.122   5.986
  194   1HG2  ILE  25          1HG2      ILE  25  34.759  -3.861   8.512
  195   2HG2  ILE  25          2HG2      ILE  25  33.025  -3.611   8.313
  196   3HG2  ILE  25          3HG2      ILE  25  33.633  -5.175   8.853
  197   1HD1  ILE  25          1HD1      ILE  25  34.916  -2.338   7.161
  198   2HD1  ILE  25          2HD1      ILE  25  35.823  -2.920   5.766
  199   3HD1  ILE  25          3HD1      ILE  25  34.643  -1.624   5.573
  200    H    THR  26           H        THR  26  34.549  -7.931   6.498
  201    HA   THR  26           HA       THR  26  34.846  -8.598   9.238
  202    HB   THR  26           HB       THR  26  35.205 -10.514   6.919
  203    HG1  THR  26           HG1      THR  26  32.818  -9.685   8.202
  204   1HG2  THR  26          1HG2      THR  26  34.919 -10.769   9.825
  205   2HG2  THR  26          2HG2      THR  26  33.727 -11.713   8.933
  206   3HG2  THR  26          3HG2      THR  26  35.447 -11.962   8.639
  207    H    PHE  27           H        PHE  27  37.113  -9.295   6.546
  208    HA   PHE  27           HA       PHE  27  39.186 -10.200   8.379
  209   1HB   PHE  27          1HB       PHE  27  38.969  -9.758   5.427
  210   2HB   PHE  27          2HB       PHE  27  40.578  -9.850   6.143
  211    HD1  PHE  27           HD1      PHE  27  37.420 -11.673   5.558
  212    HD2  PHE  27           HD2      PHE  27  41.416 -11.907   7.115
  213    HE1  PHE  27           HE1      PHE  27  37.232 -14.142   5.669
  214    HE2  PHE  27           HE2      PHE  27  41.228 -14.378   7.226
  215    HZ   PHE  27           HZ       PHE  27  39.136 -15.495   6.503
  216    H    GLY  28           H        GLY  28  39.453  -7.584   5.962
  217   1HA   GLY  28          1HA       GLY  28  40.022  -5.292   6.410
  218   2HA   GLY  28          2HA       GLY  28  40.425  -5.747   8.064
  219    H    GLY  29           H        GLY  29  42.572  -5.857   8.511
  220   1HA   GLY  29          1HA       GLY  29  44.566  -7.188   7.112
  221   2HA   GLY  29          2HA       GLY  29  44.543  -5.578   6.395
  222    H    LEU  30           H        LEU  30  44.589  -7.115   9.630
  223    HA   LEU  30           HA       LEU  30  45.686  -4.781  10.933
  224   1HB   LEU  30          1HB       LEU  30  45.126  -7.606  11.664
  225   2HB   LEU  30          2HB       LEU  30  46.385  -6.802  12.600
  226    HG   LEU  30           HG       LEU  30  44.239  -4.938  12.331
  227   1HD1  LEU  30          1HD1      LEU  30  43.052  -7.276  11.903
  228   2HD1  LEU  30          2HD1      LEU  30  43.168  -7.396  13.659
  229   3HD1  LEU  30          3HD1      LEU  30  42.298  -6.049  12.922
  230   1HD2  LEU  30          1HD2      LEU  30  45.217  -6.625  14.656
  231   2HD2  LEU  30          2HD2      LEU  30  45.776  -5.010  14.220
  232   3HD2  LEU  30          3HD2      LEU  30  44.133  -5.244  14.817
  233    H    LEU  31           H        LEU  31  47.076  -7.568   9.303
  234    HA   LEU  31           HA       LEU  31  49.767  -7.258  10.275
  235   1HB   LEU  31          1HB       LEU  31  48.443  -8.678   8.001
  236   2HB   LEU  31          2HB       LEU  31  50.181  -8.413   7.888
  237    HG   LEU  31           HG       LEU  31  49.677 -10.593   8.933
  238   1HD1  LEU  31          1HD1      LEU  31  51.603  -8.957   9.678
  239   2HD1  LEU  31          2HD1      LEU  31  50.679  -8.875  11.179
  240   3HD1  LEU  31          3HD1      LEU  31  51.289 -10.426  10.602
  241   1HD2  LEU  31          1HD2      LEU  31  47.501  -9.523  10.000
  242   2HD2  LEU  31          2HD2      LEU  31  48.330 -10.851  10.812
  243   3HD2  LEU  31          3HD2      LEU  31  48.585  -9.191  11.351
  244    H    GLY  32           H        GLY  32  48.155  -6.147   7.289
  245   1HA   GLY  32          1HA       GLY  32  49.701  -3.695   7.228
  246   2HA   GLY  32          2HA       GLY  32  50.256  -4.845   6.010
  247    H    GLU  33           H        GLU  33  47.593  -2.795   7.004
  248    HA   GLU  33           HA       GLU  33  45.950  -3.591   4.691
  249   1HB   GLU  33          1HB       GLU  33  45.228  -2.789   7.160
  250   2HB   GLU  33          2HB       GLU  33  45.215  -1.227   6.342
  251   1HG   GLU  33          1HG       GLU  33  43.867  -2.479   4.491
  252   2HG   GLU  33          2HG       GLU  33  43.569  -3.676   5.753
  253    H    LYS  34           H        LYS  34  47.324  -0.521   5.930
  254    HA   LYS  34           HA       LYS  34  47.482   0.401   3.098
  255   1HB   LYS  34          1HB       LYS  34  45.845   1.551   4.813
  256   2HB   LYS  34          2HB       LYS  34  47.319   2.324   5.396
  257   1HG   LYS  34          1HG       LYS  34  47.649   2.683   2.736
  258   2HG   LYS  34          2HG       LYS  34  45.887   2.679   2.816
  259   1HD   LYS  34          1HD       LYS  34  46.679   4.273   4.987
  260   2HD   LYS  34          2HD       LYS  34  47.771   4.733   3.680
  261   1HE   LYS  34          1HE       LYS  34  45.983   6.138   3.230
  262   2HE   LYS  34          2HE       LYS  34  45.527   4.738   2.259
  263   1HZ   LYS  34          1HZ       LYS  34  44.683   4.947   5.076
  264   2HZ   LYS  34          2HZ       LYS  34  43.810   5.743   3.859
  265   3HZ   LYS  34          3HZ       LYS  34  43.982   4.054   3.813