*HEADER    BIOSYNTHETIC PROTEIN                    21-MAR-19   6OBW              
*TITLE     CSP1-CYC(K6D10)                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COMPETENCE-STIMULATING PEPTIDE TYPE 1;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CSP-1;                                                      
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: LYS AND ASP WERE CHEMICALLY ADDED TO THE 6TH AND 10TH 
*COMPND   7 POSITIONS CHEMICALLY AND THEN CYCLIZED. HOWEVER, DURING STRUCTURE    
*COMPND   8 CALCULATION, ASP10 WAS LABELED AS ASN10 TO CONSTRUCT THE MACROCYCLE  
*COMPND   9 FOR CONVENIENCE. ASN10 WAS KEPT IN THE FINAL COORDINATE FILE AND     
*COMPND  10 CHEMICAL SHIFT FILE FOR CONSISTENCY. THE ACTUAL SEQUENCE IS STILL:   
*COMPND  11 EMRLS(LYS)FFR(ASP)FILQRKK                                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE;                       
*SOURCE   4 ORGANISM_TAXID: 1313                                                 
*KEYWDS    MODULATOR FOR QUORUM SENSING IN STREPTOCOCCUS PNEUMONIAE,             
*KEYWDS   2 BIOSYNTHETIC PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.YANG                                                                
*REVDAT   1   08-JAN-20 6OBW    0                                                
# Restraints file 1: CSP1CYCK6D10_chi1.tbl
!L4
assign ( resid 4 and name n)  ( resid 4 and name ca)
       ( resid 4 and name cb) ( resid 4 and name cg)
 1.0 -60.0 20.0 2

!F7
assign ( resid 7 and name n)    ( resid 7 and name ca)
       ( resid 7 and name cb)   ( resid 7 and name cg)
 1.0 -60.0 20.0 2

!D10
assign ( resid 10 and name n)   ( resid 10 and name ca )
       ( resid 10 and name cb)  ( resid 10 and name cg )
 1.0 -60.0 20.0 2
# Restraints file 2: CSP1CYCK6D10_phi_psi_dih.tbl
! Phi/Psi Angles From 'Strong' TALOS-N Predictions: 
!    error margins are set to conservative default values of double the 
!    standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -63.7   20.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -39.7   20.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -63.0   20.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -30.5   20.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -70.5   20.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -27.7   20.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0 -108.1   20.5 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -10.8   22.7 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -65.5   20.1 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -31.1   20.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -65.9   20.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -36.9   20.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -65.7   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -31.4   20.1 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -75.7   37.6 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -21.3   37.4 2

! Phi/Psi Angles From 'Generous' TALOS-N Predictions: 
!    error margins are set to default values of triple the standard
!    deviation observed in TALOS-N capped at a minimum of +/-20 degree.
# Restraints file 3: CSP1CYCK6D10_NOE.tbl
assign (resid   2 and name HA  ) (resid   2 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid   2 and name HA  ) (resid   2 and name HG#  )  3.1  1.1  1.1
assign (resid   2 and (name HB1 or name HB2  )) (resid   2 and name HG#  )  2.6  0.9  0.9
assign (resid   2 and name HA  ) (resid   3 and name HN  )  3.1  1.1  1.1
assign (resid   2 and (name HB1 or name HB2  )) (resid   3 and name HN  )  3.3  1.2  1.2
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 3.6  1.3  1.3
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and (name HD2# or name HD1#  )) 3.7  1.3  1.3
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and name HN  )  3.6  1.3  1.3
assign (resid   2 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.8  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 3.0  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and (name HD1 or name HD2  )) 3.5  1.2  1.2
assign (resid   3 and name HA  ) (resid   3 and (name HG2 or name HG1  )) 2.7  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and name HN  )  3.2  1.1  1.1
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and (name HD1 or name HD2  )) 3.6  1.3  1.3
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and (name HD1 or name HD2  )) 2.3  0.8  0.8
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  4.2  1.5  1.5
assign (resid   3 and (name HD1 or name HD2  )) (resid   3 and name HE  )  3.7  1.3  1.3
assign (resid   3 and (name HD1 or name HD2  )) (resid   3 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid   3 and (name HD1 or name HD2  )) (resid   3 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   3 and (name HD2 or name HD1  )) (resid   3 and name HE  )  3.6  1.3  1.3
assign (resid   3 and (name HG1 or name HG2  )) (resid   3 and name HN  )  3.5  1.2  1.2
assign (resid   3 and (name HG2 or name HG1  )) (resid   3 and name HN  )  3.6  1.3  1.3
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   3 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   3 and (name HG1 or name HG2  )) (resid   4 and (name HD2# or name HD1#  )) 3.5  1.2  1.2
assign (resid   3 and name HN  ) (resid   4 and name HN  )  3.7  1.3  1.3
assign (resid   3 and name HA  ) (resid   5 and name HN  )  3.6  1.3  1.3
assign (resid   3 and (name HG2 or name HG1  )) (resid   5 and name HN  )  3.8  1.3  1.3
assign (resid   3 and (name HG1 or name HG2  )) (resid   6 and name HA  )  3.2  1.1  1.1
assign (resid   4 and name HA  ) (resid   4 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 3.0  1.0  1.0
assign (resid   4 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and name HN  )  3.1  1.1  1.1
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and (name HD2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and (name HD2# or name HD1#  )) 2.8  1.0  1.0
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and name HN  )  3.0  1.0  1.0
assign (resid   4 and (name HD1# or name HD2#  )) (resid   4 and name HN  )  3.4  1.2  1.2
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HN  )  3.4  1.2  1.2
assign (resid   4 and name HA  ) (resid   5 and name HN  )  3.2  1.1  1.1
assign (resid   4 and (name HB1 or name HB2  )) (resid   5 and name HA  )  3.4  1.2  1.2
assign (resid   4 and (name HB1 or name HB2  )) (resid   5 and name HN  )  3.1  1.1  1.1
assign (resid   4 and (name HB2 or name HB1  )) (resid   5 and name HN  )  3.3  1.2  1.2
assign (resid   4 and (name HD1# or name HD2#  )) (resid   5 and name HN  )  3.8  1.3  1.3
assign (resid   4 and (name HD2# or name HD1#  )) (resid   5 and name HN  )  3.9  1.4  1.4
assign (resid   4 and name HN  ) (resid   5 and name HN  )  3.1  1.1  1.1
assign (resid   4 and name HA  ) (resid   6 and name HN  )  2.8  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   6 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   6 and (name HB2 or name HB1  )) 3.2  1.1  1.1
assign (resid   4 and name HA  ) (resid   7 and name HE#  )  3.2  1.1  1.1
assign (resid   4 and name HA  ) (resid   7 and name HN  )  3.7  1.3  1.3
assign (resid   4 and name HA  ) (resid   7 and name HZ  )  3.4  1.2  1.2
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HZ  )  3.6  1.3  1.3
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HE#  )  3.0  1.1  1.1
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HZ  )  3.6  1.3  1.3
assign (resid   4 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  3.7  1.3  1.3
assign (resid   4 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  3.7  1.3  1.3
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HE#  )  3.5  1.2  1.2
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HZ  )  3.6  1.3  1.3
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HZ  )  2.6  0.9  0.9
assign (resid   5 and name HA  ) (resid   5 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid   5 and name HA  ) (resid   5 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid   5 and name HA  ) (resid   5 and name HN  )  3.1  1.1  1.1
assign (resid   5 and (name HB1 or name HB2  )) (resid   5 and name HN  )  3.1  1.1  1.1
assign (resid   5 and (name HB2 or name HB1  )) (resid   5 and name HN  )  3.1  1.1  1.1
assign (resid   5 and name HA  ) (resid   6 and name HN  )  3.3  1.2  1.2
assign (resid   5 and (name HB1 or name HB2  )) (resid   6 and name HN  )  3.6  1.3  1.3
assign (resid   5 and (name HB2 or name HB1  )) (resid   6 and name HN  )  3.8  1.3  1.3
assign (resid   5 and name HN  ) (resid   6 and name HN  )  3.4  1.2  1.2
assign (resid   5 and name HA  ) (resid   7 and name HN  )  3.8  1.3  1.3
assign (resid   5 and name HA  ) (resid   8 and name HE#  )  3.5  1.2  1.2
assign (resid   5 and name HA  ) (resid   8 and name HN  )  3.5  1.2  1.2
assign (resid   5 and name HA  ) (resid   8 and name HZ  )  4.1  1.4  1.4
assign (resid   6 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid   6 and name HA  ) (resid   6 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and name HD#  )  3.0  1.1  1.1
assign (resid   6 and name HA  ) (resid   6 and name HG#  )  3.1  1.1  1.1
assign (resid   6 and name HA  ) (resid   6 and name HN  )  3.0  1.0  1.0
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HD#  )  3.0  1.1  1.1
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HG#  )  3.0  1.0  1.0
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HN  )  3.0  1.0  1.0
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HD#  )  3.1  1.1  1.1
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HG#  )  2.4  0.8  0.8
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HN  )  3.0  1.0  1.0
assign (resid   6 and name HD#  ) (resid   6 and name HG#  )  2.6  0.9  0.9
assign (resid   6 and name HD#  ) (resid   6 and name HN  )  3.2  1.1  1.1
assign (resid   6 and name HG#  ) (resid   6 and name HN  )  3.3  1.2  1.2
assign (resid   6 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 3.7  1.3  1.3
assign (resid   6 and name HA  ) (resid   7 and name HN  )  3.0  1.1  1.1
assign (resid   6 and (name HB1 or name HB2  )) (resid   7 and (name HB1 or name HB2  )) 2.4  0.8  1.6
assign (resid   6 and (name HB1 or name HB2  )) (resid   7 and (name HB2 or name HB1  )) 3.3  1.2  1.2
assign (resid   6 and (name HB1 or name HB2  )) (resid   7 and name HN  )  3.3  1.2  1.2
assign (resid   6 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.9  1.0  1.0
assign (resid   6 and name HD#  ) (resid   7 and (name HB2 or name HB1  )) 3.3  1.2  1.6
assign (resid   6 and name HG#  ) (resid   7 and (name HB2 or name HB1  )) 3.3  1.2  1.4
assign (resid   6 and name HN  ) (resid   7 and name HA  )  3.6  1.3  1.3
assign (resid   6 and name HN  ) (resid   7 and name HN  )  3.0  1.0  1.0
assign (resid   6 and name HA  ) (resid   8 and name HA  )  3.5  1.2  2.5
assign (resid   6 and name HA  ) (resid   9 and (name HB2 or name HB1  )) 3.0  1.0  1.0
assign (resid   6 and name HA  ) (resid   9 and name HD#  )  3.0  1.0  1.0
assign (resid   6 and name HA  ) (resid   9 and (name HG2 or name HG1  )) 2.7  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid   7 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 3.3  1.2  1.2
assign (resid   7 and name HA  ) (resid   7 and name HE#  )  3.3  1.2  1.2
assign (resid   7 and name HA  ) (resid   7 and name HN  )  3.0  1.0  1.0
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HN  )  3.0  1.0  1.0
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HZ  )  3.2  1.1  1.4
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HE#  )  3.2  1.1  1.1
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HN  )  3.1  1.1  1.1
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HZ  )  3.3  1.2  1.3
assign (resid   7 and name HN  ) (resid   7 and name HZ  )  3.4  1.2  1.4
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HA  )  2.9  1.0  1.0
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  3.2  1.1  1.1
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HA  )  2.9  1.0  1.0
assign (resid   8 and name HA  ) (resid   8 and name HE#  )  3.7  1.3  1.3
assign (resid   8 and name HA  ) (resid   8 and name HN  )  3.0  1.0  1.0
assign (resid   8 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.9  1.0  1.0
assign (resid   8 and (name HB1 or name HB2  )) (resid   8 and name HN  )  3.0  1.0  1.0
assign (resid   8 and (name HB1 or name HB2  )) (resid   8 and name HZ  )  3.6  1.3  1.3
assign (resid   8 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  3.1  1.1  1.1
assign (resid   8 and (name HB2 or name HB1  )) (resid   8 and name HN  )  3.0  1.0  1.0
assign (resid   8 and name HE#  ) (resid   8 and name HN  )  3.0  1.0  1.0
assign (resid   8 and (name HB1 or name HB2  )) (resid   9 and name HN  )  3.1  1.1  1.1
assign (resid   8 and (name HB2 or name HB1  )) (resid   9 and name HN  )  3.3  1.2  1.2
assign (resid   8 and name HE#  ) (resid   9 and name HN  )  3.6  1.3  1.3
assign (resid   8 and name HN  ) (resid   9 and name HN  )  3.4  1.2  1.2
assign (resid   8 and (name HB2 or name HB1  )) (resid  11 and (name HB2 or name HB1  )) 2.2  0.8  0.8
assign (resid   8 and name HE#  ) (resid  13 and (name HD1# or name HD2#  )) 4.0  1.4  1.4
assign (resid   8 and name HE#  ) (resid  13 and (name HD2# or name HD1#  )) 3.5  1.2  1.2
assign (resid   8 and name HZ  ) (resid  13 and (name HD1# or name HD2#  )) 3.8  1.3  1.3
assign (resid   8 and name HZ  ) (resid  13 and (name HD2# or name HD1#  )) 3.5  1.2  1.2
assign (resid   9 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid   9 and name HA  ) (resid   9 and name HD#  )  2.3  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and (name HG2 or name HG1  )) 3.0  1.1  1.1
assign (resid   9 and name HA  ) (resid   9 and name HN  )  3.1  1.1  1.1
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HN  )  3.4  1.2  1.2
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and name HN  )  3.1  1.1  1.1
assign (resid   9 and name HD#  ) (resid   9 and name HE  )  3.3  1.2  1.2
assign (resid   9 and name HD#  ) (resid   9 and (name HG2 or name HG1  )) 2.7  0.9  0.9
assign (resid   9 and name HD#  ) (resid   9 and name HN  )  3.1  1.1  1.1
assign (resid   9 and (name HG1 or name HG2  )) (resid   9 and name HN  )  3.4  1.2  1.2
assign (resid   9 and (name HG2 or name HG1  )) (resid   9 and name HN  )  3.5  1.2  1.2
assign (resid   9 and name HD#  ) (resid  12 and name HN  )  5.0  1.8  1.8
assign (resid   9 and (name HG1 or name HG2  )) (resid  12 and name HA  )  3.1  1.1  1.1
assign (resid   9 and name HD#  ) (resid  13 and (name HD2# or name HD1#  )) 3.0  1.1  1.1
assign (resid   9 and (name HG1 or name HG2  )) (resid  13 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid   9 and (name HG1 or name HG2  )) (resid  13 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   9 and (name HG1 or name HG2  )) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid  11 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid  11 and name HA  ) (resid  11 and name HE#  )  3.1  1.1  1.1
assign (resid  11 and name HA  ) (resid  11 and name HN  )  3.1  1.1  1.1
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HE#  )  3.0  1.1  1.1
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HN  )  3.5  1.2  1.2
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HE#  )  3.0  1.0  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HN  )  3.3  1.2  1.2
assign (resid  11 and name HE#  ) (resid  11 and name HN  )  3.7  1.3  1.3
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HN  )  3.2  1.1  1.1
assign (resid  12 and name HA  ) (resid  12 and name HB  )  2.9  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and name HD#  )  3.1  1.1  1.1
assign (resid  12 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 3.1  1.1  1.1
assign (resid  12 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 3.0  1.1  1.1
assign (resid  12 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and name HN  )  3.2  1.1  1.1
assign (resid  12 and name HB  ) (resid  12 and name HD#  )  2.9  1.0  1.0
assign (resid  12 and name HB  ) (resid  12 and (name HG11 or name HG12  )) 3.2  1.1  1.1
assign (resid  12 and name HB  ) (resid  12 and (name HG12 or name HG11  )) 3.2  1.1  1.1
assign (resid  12 and name HB  ) (resid  12 and (name HG2# or name HD1#  )) 2.7  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  12 and name HD#  ) (resid  12 and (name HG11 or name HG12  )) 2.6  0.9  0.9
assign (resid  12 and name HD#  ) (resid  12 and name HN  )  3.5  1.2  1.2
assign (resid  12 and (name HG11 or name HG12  )) (resid  12 and (name HG2# or name HD1#  )) 2.8  1.0  1.0
assign (resid  12 and (name HG11 or name HG12  )) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and name HN  )  3.1  1.1  1.1
assign (resid  12 and (name HG2# or name HD1#  )) (resid  12 and name HN  )  3.1  1.1  1.1
assign (resid  12 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 3.4  1.2  1.2
assign (resid  12 and name HA  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HB  ) (resid  13 and name HN  )  2.9  1.0  1.0
assign (resid  12 and name HD#  ) (resid  13 and name HN  )  3.0  1.0  1.0
assign (resid  12 and (name HG11 or name HG12  )) (resid  13 and name HN  )  3.7  1.3  1.3
assign (resid  12 and (name HG12 or name HG11  )) (resid  13 and name HN  )  3.9  1.4  1.4
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HN  )  3.1  1.1  1.1
assign (resid  12 and name HN  ) (resid  13 and name HN  )  3.0  1.0  1.0
assign (resid  13 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 3.2  1.1  1.1
assign (resid  13 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 3.4  1.2  1.2
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.7  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HN  )  3.0  1.0  1.0
assign (resid  13 and (name HD1# or name HD2#  )) (resid  13 and name HN  )  3.4  1.2  1.2
assign (resid  13 and (name HD2# or name HD1#  )) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HN  )  3.0  1.0  1.0
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and name HN  )  3.1  1.1  1.1
assign (resid  13 and (name HD1# or name HD2#  )) (resid  14 and name HN  )  3.5  1.2  1.2
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and name HN  )  3.1  1.1  1.1
assign (resid  13 and name HN  ) (resid  14 and name HN  )  3.0  1.1  1.1
assign (resid  13 and (name HD1# or name HD2#  )) (resid  15 and name HA  )  3.0  1.0  1.0
assign (resid  13 and (name HD2# or name HD1#  )) (resid  15 and name HA  )  2.7  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid  14 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and (name HG2 or name HG1  )) 2.8  1.0  1.0
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and (name HG2 or name HG1  )) 2.8  1.0  1.0
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  3.1  1.1  1.1
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  3.0  1.0  1.0
assign (resid  14 and (name HG2 or name HG1  )) (resid  14 and name HN  )  2.9  1.0  1.0
assign (resid  14 and name HA  ) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HN  )  3.4  1.2  1.2
assign (resid  14 and (name HG2 or name HG1  )) (resid  15 and name HN  )  3.2  1.1  1.1
assign (resid  14 and name HN  ) (resid  15 and name HA  )  2.7  0.9  0.9
assign (resid  14 and name HN  ) (resid  15 and name HG#  )  3.1  1.1  1.1
assign (resid  14 and name HA  ) (resid  16 and name HN  )  3.0  1.0  1.0
assign (resid  15 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 3.0  1.0  1.0
assign (resid  15 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 3.1  1.1  1.1
assign (resid  15 and name HA  ) (resid  15 and name HD#  )  2.3  0.8  0.8
assign (resid  15 and name HA  ) (resid  15 and name HG#  )  2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HD#  )  2.7  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HN  )  3.1  1.1  1.1
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HD#  )  2.7  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HN  )  3.0  1.0  1.0
assign (resid  15 and name HD#  ) (resid  15 and name HE  )  3.4  1.2  1.2
assign (resid  15 and name HD#  ) (resid  15 and name HG#  )  2.4  0.8  0.8
assign (resid  15 and name HG#  ) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  15 and name HA  ) (resid  16 and name HN  )  2.6  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  16 and name HN  )  3.1  1.1  1.1
assign (resid  15 and name HA  ) (resid  17 and name HN  )  3.4  1.2  1.2
assign (resid  16 and name HA  ) (resid  16 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid  16 and name HA  ) (resid  16 and (name HB2 or name HB1  )) 3.0  1.0  1.0
assign (resid  16 and name HA  ) (resid  16 and name HD#  )  2.3  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and name HG#  )  3.0  1.0  1.0
assign (resid  16 and name HA  ) (resid  16 and name HN  )  3.0  1.1  1.1
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HN  )  3.1  1.1  1.1
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  16 and name HG#  ) (resid  16 and name HN  )  2.9  1.0  1.0
assign (resid  16 and name HA  ) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  16 and (name HB1 or name HB2  )) (resid  17 and name HN  )  3.1  1.1  1.1
assign (resid  16 and name HN  ) (resid  17 and name HN  )  3.3  1.2  1.2
assign (resid  17 and name HA  ) (resid  17 and (name HB1 or name HB2  )) 3.0  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and (name HB2 or name HB1  )) 3.0  1.1  1.1
assign (resid  17 and name HA  ) (resid  17 and name HG#  )  3.6  1.3  1.3
assign (resid  17 and name HA  ) (resid  17 and name HN  )  3.1  1.1  1.1
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HN  )  3.4  1.2  1.2
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.9  1.0  1.0
assign (resid  17 and name HG#  ) (resid  17 and name HN  )  2.9  1.0  1.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           HT1      GLU   1   3.411   1.941   6.927
    2    H2   GLU   1           HT2      GLU   1   1.981   1.512   6.117
    3    H3   GLU   1           HT3      GLU   1   3.379   0.567   5.928
    4    HA   GLU   1           HA       GLU   1   1.448   0.648   8.077
    5    HB2  GLU   1           HB2      GLU   1   1.784  -1.263   6.396
    6    HB3  GLU   1           HB1      GLU   1   3.393  -1.542   7.151
    7    HG2  GLU   1           HG2      GLU   1   2.300  -2.030   9.356
    8    HG3  GLU   1           HG1      GLU   1   0.675  -1.722   8.624
    9    H    MET   2           HN       MET   2   5.012   0.648   7.617
   10    HA   MET   2           HA       MET   2   5.201   0.890  10.534
   11    HB2  MET   2           HB2      MET   2   7.178  -0.559   8.672
   12    HB3  MET   2           HB1      MET   2   7.443  -0.248  10.424
   13    HG2  MET   2           HG2      MET   2   5.462  -1.643  10.988
   14    HG3  MET   2           HG1      MET   2   5.162  -1.941   9.247
   15    HE1  MET   2           HE1      MET   2   6.209  -5.429  10.450
   16    HE2  MET   2           HE2      MET   2   5.064  -4.436   9.482
   17    HE3  MET   2           HE3      MET   2   5.207  -4.172  11.255
   18    H    ARG   3           HN       ARG   3   6.745   2.442  11.259
   19    HA   ARG   3           HA       ARG   3   7.341   4.386   9.205
   20    HB2  ARG   3           HB2      ARG   3   6.577   5.179  11.490
   21    HB3  ARG   3           HB1      ARG   3   8.064   4.445  12.192
   22    HG2  ARG   3           HG2      ARG   3   9.510   5.989  11.006
   23    HG3  ARG   3           HG1      ARG   3   8.160   6.582   9.978
   24    HD2  ARG   3           HD2      ARG   3   8.671   8.254  11.755
   25    HD3  ARG   3           HD1      ARG   3   7.044   7.514  12.098
   26    HE   ARG   3           HE       ARG   3   9.128   6.000  13.434
   27   HH11  ARG   3          HH11      ARG   3   7.362   9.092  13.482
   28   HH12  ARG   3          HH12      ARG   3   7.504   9.326  15.192
   29   HH21  ARG   3          HH21      ARG   3   9.323   6.316  15.761
   30   HH22  ARG   3          HH22      ARG   3   8.640   7.719  16.509
   31    H    LEU   4           HN       LEU   4   8.834   1.584  10.469
   32    HA   LEU   4           HA       LEU   4  11.457   2.448  10.662
   33    HB2  LEU   4           HB2      LEU   4  10.775   0.130  11.336
   34    HB3  LEU   4           HB1      LEU   4  10.472  -0.267   9.606
   35    HG   LEU   4           HG       LEU   4  12.845   0.136   9.055
   36   HD11  LEU   4          HD11      LEU   4  13.133   0.799  12.052
   37   HD12  LEU   4          HD12      LEU   4  13.451   1.881  10.641
   38   HD13  LEU   4          HD13      LEU   4  14.524   0.460  10.952
   39   HD21  LEU   4          HD21      LEU   4  12.574  -2.142   9.486
   40   HD22  LEU   4          HD22      LEU   4  12.102  -1.885  11.209
   41   HD23  LEU   4          HD23      LEU   4  13.831  -1.730  10.714
   42    H    SER   5           HN       SER   5   9.455   1.582   7.779
   43    HA   SER   5           HA       SER   5  11.715   1.883   6.044
   44    HB2  SER   5           HB2      SER   5   8.688   1.945   5.429
   45    HB3  SER   5           HB1      SER   5   9.996   1.930   4.179
   46    HG   SER   5           HG       SER   5   8.860  -0.105   5.349
   47    H    LYS   6           HN       LYS   6  12.339   3.946   7.248
   48    HA   LYS   6           HA       LYS   6  11.073   6.198   5.885
   49    HB2  LYS   6           HB2      LYS   6  10.136   6.472   8.096
   50    HB3  LYS   6           HB1      LYS   6  11.630   5.812   8.858
   51    HG2  LYS   6           HG2      LYS   6  11.248   8.329   9.163
   52    HG3  LYS   6           HG1      LYS   6  12.854   7.856   8.519
   53    HD2  LYS   6           HD2      LYS   6  11.745   8.285   6.149
   54    HD3  LYS   6           HD1      LYS   6  10.507   9.190   7.078
   55    HE2  LYS   6           HE2      LYS   6  11.913  10.996   6.926
   56    HE3  LYS   6           HE1      LYS   6  12.968  10.154   8.129
   57    H    PHE   7           HN       PHE   7  13.649   5.157   8.115
   58    HA   PHE   7           HA       PHE   7  15.449   7.111   7.598
   59    HB2  PHE   7           HB2      PHE   7  15.928   4.141   8.049
   60    HB3  PHE   7           HB1      PHE   7  17.122   5.450   8.387
   61    HD1  PHE   7           HD1      PHE   7  14.403   3.501   9.528
   62    HD2  PHE   7           HD2      PHE   7  16.493   7.147  10.128
   63    HE1  PHE   7           HE1      PHE   7  13.439   3.683  11.759
   64    HE2  PHE   7           HE2      PHE   7  15.520   7.323  12.366
   65    HZ   PHE   7           HZ       PHE   7  14.002   5.580  13.138
   66    H    PHE   8           HN       PHE   8  14.910   4.011   5.731
   67    HA   PHE   8           HA       PHE   8  16.921   5.011   3.914
   68    HB2  PHE   8           HB2      PHE   8  16.469   2.726   2.700
   69    HB3  PHE   8           HB1      PHE   8  17.434   2.732   4.223
   70    HD1  PHE   8           HD1      PHE   8  14.230   1.869   2.676
   71    HD2  PHE   8           HD2      PHE   8  16.533   1.893   6.242
   72    HE1  PHE   8           HE1      PHE   8  12.662   0.307   3.707
   73    HE2  PHE   8           HE2      PHE   8  14.968   0.337   7.265
   74    HZ   PHE   8           HZ       PHE   8  13.029  -0.469   6.004
   75    H    ARG   9           HN       ARG   9  13.498   4.934   4.341
   76    HA   ARG   9           HA       ARG   9  12.793   4.812   1.614
   77    HB2  ARG   9           HB2      ARG   9  11.131   4.516   3.491
   78    HB3  ARG   9           HB1      ARG   9  11.356   6.252   3.898
   79    HG2  ARG   9           HG2      ARG   9  10.647   5.596   1.033
   80    HG3  ARG   9           HG1      ARG   9   9.369   5.350   2.288
   81    HD2  ARG   9           HD2      ARG   9   9.813   7.753   3.083
   82    HD3  ARG   9           HD1      ARG   9  10.891   7.945   1.633
   83    HE   ARG   9           HE       ARG   9   8.366   6.907   0.743
   84   HH11  ARG   9          HH11      ARG   9   9.824   9.802   2.217
   85   HH12  ARG   9          HH12      ARG   9   8.699  10.916   1.516
   86   HH21  ARG   9          HH21      ARG   9   6.832   8.423  -0.213
   87   HH22  ARG   9          HH22      ARG   9   6.968  10.118   0.112
   88    H    ASN  10           HN       ASN  10  13.724   7.420   3.892
   89    HA   ASN  10           HA       ASN  10  13.136   9.519   2.158
   90    HB2  ASN  10           HB2      ASN  10  15.281   9.264   4.349
   91    HB3  ASN  10           HB1      ASN  10  14.922  10.806   3.485
   92   HD21  ASN  10          HD21      ASN  10  14.463   9.503   6.400
   93    H    PHE  11           HN       PHE  11  16.001   7.334   2.464
   94    HA   PHE  11           HA       PHE  11  17.517   8.794   0.575
   95    HB2  PHE  11           HB2      PHE  11  17.646   5.928   1.663
   96    HB3  PHE  11           HB1      PHE  11  18.634   6.389   0.219
   97    HD1  PHE  11           HD1      PHE  11  18.586   6.208   3.730
   98    HD2  PHE  11           HD2      PHE  11  20.002   8.597   0.514
   99    HE1  PHE  11           HE1      PHE  11  20.316   7.146   5.186
  100    HE2  PHE  11           HE2      PHE  11  21.726   9.533   1.971
  101    HZ   PHE  11           HZ       PHE  11  21.891   8.810   4.310
  102    H    ILE  12           HN       ILE  12  15.462   5.778   0.359
  103    HA   ILE  12           HA       ILE  12  14.095   6.485  -1.855
  104    HB   ILE  12           HB       ILE  12  16.099   6.555  -3.242
  105   HG12  ILE  12          HG12      ILE  12  15.672   4.600  -4.799
  106   HG13  ILE  12          HG11      ILE  12  14.518   3.952  -3.587
  107   HG21  ILE  12          HG21      ILE  12  17.543   5.238  -1.622
  108   HG22  ILE  12          HG22      ILE  12  17.711   4.680  -3.326
  109   HG23  ILE  12          HG23      ILE  12  16.721   3.726  -2.160
  110   HD11  ILE  12          HD11      ILE  12  13.927   5.791  -5.672
  111   HD12  ILE  12          HD12      ILE  12  13.962   6.808  -4.183
  112   HD13  ILE  12          HD13      ILE  12  12.865   5.378  -4.274
  113    H    LEU  13           HN       LEU  13  12.488   4.965  -2.131
  114    HA   LEU  13           HA       LEU  13  13.003   2.393  -0.828
  115    HB2  LEU  13           HB2      LEU  13  11.382   3.772   0.520
  116    HB3  LEU  13           HB1      LEU  13  10.371   3.983  -0.950
  117    HG   LEU  13           HG       LEU  13  10.039   1.504  -1.062
  118   HD11  LEU  13          HD11      LEU  13  10.615   0.509   1.477
  119   HD12  LEU  13          HD12      LEU  13  12.046   1.559   1.157
  120   HD13  LEU  13          HD13      LEU  13  11.618   0.241   0.002
  121   HD21  LEU  13          HD21      LEU  13   9.225   2.837   1.597
  122   HD22  LEU  13          HD22      LEU  13   8.485   1.341   0.910
  123   HD23  LEU  13          HD23      LEU  13   8.332   2.909   0.031
  124    H    GLN  14           HN       GLN  14  12.916   0.735  -2.284
  125    HA   GLN  14           HA       GLN  14  10.989   0.961  -4.429
  126    HB2  GLN  14           HB2      GLN  14  14.002   0.532  -4.879
  127    HB3  GLN  14           HB1      GLN  14  12.751   0.061  -6.084
  128    HG2  GLN  14           HG2      GLN  14  12.024   2.391  -6.356
  129    HG3  GLN  14           HG1      GLN  14  13.103   2.931  -5.011
  130   HE21  GLN  14          HE21      GLN  14  13.140   3.748  -7.895
  131   HE22  GLN  14          HE22      GLN  14  14.720   3.357  -8.483
  132    H    ARG  15           HN       ARG  15  10.039  -0.569  -2.891
  133    HA   ARG  15           HA       ARG  15  11.431  -2.884  -2.191
  134    HB2  ARG  15           HB2      ARG  15   8.416  -2.348  -2.386
  135    HB3  ARG  15           HB1      ARG  15   9.107  -3.878  -1.743
  136    HG2  ARG  15           HG2      ARG  15   9.709  -1.087  -0.590
  137    HG3  ARG  15           HG1      ARG  15   8.433  -2.190   0.031
  138    HD2  ARG  15           HD2      ARG  15  10.235  -3.949   0.479
  139    HD3  ARG  15           HD1      ARG  15  11.485  -2.720  -0.010
  140    HE   ARG  15           HE       ARG  15   9.768  -1.534   1.968
  141   HH11  ARG  15          HH11      ARG  15  12.179  -4.121   1.553
  142   HH12  ARG  15          HH12      ARG  15  12.767  -4.048   3.180
  143   HH21  ARG  15          HH21      ARG  15  10.568  -1.431   4.186
  144   HH22  ARG  15          HH22      ARG  15  11.834  -2.495   4.701
  145    H    LYS  16           HN       LYS  16   9.391  -1.993  -4.998
  146    HA   LYS  16           HA       LYS  16   9.465  -4.720  -5.947
  147    HB2  LYS  16           HB2      LYS  16   8.463  -2.172  -7.344
  148    HB3  LYS  16           HB1      LYS  16   8.226  -3.855  -7.932
  149    HG2  LYS  16           HG2      LYS  16   7.111  -2.715  -5.294
  150    HG3  LYS  16           HG1      LYS  16   6.185  -2.913  -6.821
  151    HD2  LYS  16           HD2      LYS  16   6.614  -5.393  -6.736
  152    HD3  LYS  16           HD1      LYS  16   7.494  -5.176  -5.184
  153    HE2  LYS  16           HE2      LYS  16   5.400  -4.272  -4.120
  154    HE3  LYS  16           HE1      LYS  16   4.514  -4.505  -5.685
  155    HZ1  LYS  16           HZ1      LYS  16   4.878  -6.332  -3.670
  156    HZ2  LYS  16           HZ2      LYS  16   5.907  -6.860  -4.913
  157    HZ3  LYS  16           HZ3      LYS  16   4.255  -6.615  -5.223
  158    H    LYS  17           HN       LYS  17  11.726  -2.273  -5.764
  159    HA   LYS  17           HA       LYS  17  13.571  -1.791  -6.896
  160    HB2  LYS  17           HB2      LYS  17  13.121  -4.555  -8.172
  161    HB3  LYS  17           HB1      LYS  17  14.614  -3.574  -8.384
  162    HG2  LYS  17           HG2      LYS  17  15.015  -3.636  -5.918
  163    HG3  LYS  17           HG1      LYS  17  13.523  -4.613  -5.696
  164    HD2  LYS  17           HD2      LYS  17  14.496  -6.423  -7.128
  165    HD3  LYS  17           HD1      LYS  17  15.988  -5.444  -7.352
  166    HE2  LYS  17           HE2      LYS  17  16.432  -5.538  -4.882
  167    HE3  LYS  17           HE1      LYS  17  14.921  -6.514  -4.650
  168    HZ1  LYS  17           HZ1      LYS  17  17.489  -7.360  -5.401
  169    HZ2  LYS  17           HZ2      LYS  17  16.418  -7.710  -6.671
  170    HZ3  LYS  17           HZ3      LYS  17  16.094  -8.282  -5.105
  Start of MODEL    2
    1    H1   GLU   1           HT1      GLU   1   1.773   0.262   5.599
    2    H2   GLU   1           HT2      GLU   1   3.231  -0.519   5.216
    3    H3   GLU   1           HT3      GLU   1   3.230   0.799   6.289
    4    HA   GLU   1           HA       GLU   1   1.508  -0.799   7.501
    5    HB2  GLU   1           HB2      GLU   1   1.892  -2.626   5.839
    6    HB3  GLU   1           HB1      GLU   1   3.655  -2.560   6.178
    7    HG2  GLU   1           HG2      GLU   1   2.664  -4.491   7.364
    8    HG3  GLU   1           HG1      GLU   1   3.189  -3.264   8.584
    9    H    MET   2           HN       MET   2   5.026  -0.342   6.832
   10    HA   MET   2           HA       MET   2   5.342  -0.067   9.735
   11    HB2  MET   2           HB2      MET   2   7.308  -1.326   7.731
   12    HB3  MET   2           HB1      MET   2   7.743  -0.872   9.416
   13    HG2  MET   2           HG2      MET   2   5.875  -2.421  10.223
   14    HG3  MET   2           HG1      MET   2   5.689  -2.976   8.529
   15    HE1  MET   2           HE1      MET   2   8.596  -4.994   7.561
   16    HE2  MET   2           HE2      MET   2   8.721  -3.216   7.327
   17    HE3  MET   2           HE3      MET   2   7.130  -4.035   7.160
   18    H    ARG   3           HN       ARG   3   6.520   1.763  10.377
   19    HA   ARG   3           HA       ARG   3   6.965   3.640   8.207
   20    HB2  ARG   3           HB2      ARG   3   5.898   4.348  10.471
   21    HB3  ARG   3           HB1      ARG   3   7.536   4.112  11.184
   22    HG2  ARG   3           HG2      ARG   3   8.495   5.836   9.707
   23    HG3  ARG   3           HG1      ARG   3   6.945   5.994   8.813
   24    HD2  ARG   3           HD2      ARG   3   7.299   6.634  11.826
   25    HD3  ARG   3           HD1      ARG   3   7.286   7.863  10.485
   26    HE   ARG   3           HE       ARG   3   4.922   6.287  10.210
   27   HH11  ARG   3          HH11      ARG   3   6.476   8.509  12.517
   28   HH12  ARG   3          HH12      ARG   3   4.993   9.120  13.168
   29   HH21  ARG   3          HH21      ARG   3   2.901   7.119  11.091
   30   HH22  ARG   3          HH22      ARG   3   2.924   8.316  12.342
   31    H    LEU   4           HN       LEU   4   8.709   1.177   9.777
   32    HA   LEU   4           HA       LEU   4  11.171   2.343  10.186
   33    HB2  LEU   4           HB2      LEU   4  10.184  -0.297  10.228
   34    HB3  LEU   4           HB1      LEU   4  11.368  -0.326   8.875
   35    HG   LEU   4           HG       LEU   4  12.448  -0.978  10.972
   36   HD11  LEU   4          HD11      LEU   4  14.397   0.462  10.883
   37   HD12  LEU   4          HD12      LEU   4  13.431   1.852  10.257
   38   HD13  LEU   4          HD13      LEU   4  13.707   0.405   9.216
   39   HD21  LEU   4          HD21      LEU   4  12.051   1.804  12.174
   40   HD22  LEU   4          HD22      LEU   4  12.453   0.243  12.985
   41   HD23  LEU   4          HD23      LEU   4  10.779   0.542  12.380
   42    H    SER   5           HN       SER   5   9.508   1.460   7.139
   43    HA   SER   5           HA       SER   5  11.919   1.898   5.623
   44    HB2  SER   5           HB2      SER   5   8.967   1.636   4.760
   45    HB3  SER   5           HB1      SER   5  10.348   1.835   3.607
   46    HG   SER   5           HG       SER   5   9.583  -0.355   4.117
   47    H    LYS   6           HN       LYS   6  12.207   4.004   6.904
   48    HA   LYS   6           HA       LYS   6  10.929   6.131   5.370
   49    HB2  LYS   6           HB2      LYS   6   9.639   6.306   7.403
   50    HB3  LYS   6           HB1      LYS   6  11.046   5.775   8.395
   51    HG2  LYS   6           HG2      LYS   6  10.398   8.236   8.637
   52    HG3  LYS   6           HG1      LYS   6  12.120   7.924   8.242
   53    HD2  LYS   6           HD2      LYS   6  11.346   8.286   5.734
   54    HD3  LYS   6           HD1      LYS   6   9.900   9.053   6.466
   55    HE2  LYS   6           HE2      LYS   6  11.131  10.987   6.529
   56    HE3  LYS   6           HE1      LYS   6  12.059  10.233   7.885
   57    H    PHE   7           HN       PHE   7  13.239   5.318   7.959
   58    HA   PHE   7           HA       PHE   7  14.897   7.442   7.705
   59    HB2  PHE   7           HB2      PHE   7  15.583   4.524   8.216
   60    HB3  PHE   7           HB1      PHE   7  16.598   5.931   8.713
   61    HD1  PHE   7           HD1      PHE   7  13.903   3.754   9.451
   62    HD2  PHE   7           HD2      PHE   7  15.621   7.525  10.371
   63    HE1  PHE   7           HE1      PHE   7  12.631   3.822  11.527
   64    HE2  PHE   7           HE2      PHE   7  14.340   7.589  12.454
   65    HZ   PHE   7           HZ       PHE   7  12.861   5.729  12.991
   66    H    PHE   8           HN       PHE   8  14.933   4.329   5.778
   67    HA   PHE   8           HA       PHE   8  17.080   5.539   4.272
   68    HB2  PHE   8           HB2      PHE   8  17.043   3.258   2.995
   69    HB3  PHE   8           HB1      PHE   8  17.733   3.301   4.660
   70    HD1  PHE   8           HD1      PHE   8  14.901   2.242   2.586
   71    HD2  PHE   8           HD2      PHE   8  16.610   2.300   6.471
   72    HE1  PHE   8           HE1      PHE   8  13.335   0.513   3.307
   73    HE2  PHE   8           HE2      PHE   8  15.048   0.580   7.186
   74    HZ   PHE   8           HZ       PHE   8  13.407  -0.327   5.610
   75    H    ARG   9           HN       ARG   9  13.653   5.156   4.198
   76    HA   ARG   9           HA       ARG   9  13.373   5.028   1.395
   77    HB2  ARG   9           HB2      ARG   9  11.484   4.552   3.011
   78    HB3  ARG   9           HB1      ARG   9  11.482   6.299   3.435
   79    HG2  ARG   9           HG2      ARG   9  11.288   5.602   0.499
   80    HG3  ARG   9           HG1      ARG   9   9.860   5.224   1.542
   81    HD2  ARG   9           HD2      ARG   9   9.937   7.649   2.382
   82    HD3  ARG   9           HD1      ARG   9  11.214   7.959   1.126
   83    HE   ARG   9           HE       ARG   9   8.965   6.696  -0.149
   84   HH11  ARG   9          HH11      ARG   9   9.927   9.708   1.489
   85   HH12  ARG   9          HH12      ARG   9   8.840  10.722   0.600
   86   HH21  ARG   9          HH21      ARG   9   7.485   8.073  -1.362
   87   HH22  ARG   9          HH22      ARG   9   7.427   9.775  -1.049
   88    H    ASN  10           HN       ASN  10  13.716   7.658   3.808
   89    HA   ASN  10           HA       ASN  10  13.212   9.734   2.020
   90    HB2  ASN  10           HB2      ASN  10  15.009   9.623   4.514
   91    HB3  ASN  10           HB1      ASN  10  14.655  11.145   3.613
   92   HD21  ASN  10          HD21      ASN  10  13.860   9.732   6.410
   93    H    PHE  11           HN       PHE  11  16.184   7.802   2.744
   94    HA   PHE  11           HA       PHE  11  17.836   9.427   1.132
   95    HB2  PHE  11           HB2      PHE  11  18.031   6.545   2.161
   96    HB3  PHE  11           HB1      PHE  11  19.174   7.120   0.883
   97    HD1  PHE  11           HD1      PHE  11  18.700   6.771   4.330
   98    HD2  PHE  11           HD2      PHE  11  20.265   9.462   1.437
   99    HE1  PHE  11           HE1      PHE  11  20.130   7.781   6.041
  100    HE2  PHE  11           HE2      PHE  11  21.691  10.469   3.149
  101    HZ   PHE  11           HZ       PHE  11  21.630   9.632   5.455
  102    H    ILE  12           HN       ILE  12  16.101   6.267   0.529
  103    HA   ILE  12           HA       ILE  12  15.011   6.944  -1.838
  104    HB   ILE  12           HB       ILE  12  17.255   7.226  -2.823
  105   HG12  ILE  12          HG12      ILE  12  16.064   4.561  -3.737
  106   HG13  ILE  12          HG11      ILE  12  15.324   6.161  -4.104
  107   HG21  ILE  12          HG21      ILE  12  18.995   5.640  -2.616
  108   HG22  ILE  12          HG22      ILE  12  17.863   4.281  -2.264
  109   HG23  ILE  12          HG23      ILE  12  18.212   5.515  -0.996
  110   HD11  ILE  12          HD11      ILE  12  17.968   6.597  -4.843
  111   HD12  ILE  12          HD12      ILE  12  16.647   6.105  -5.970
  112   HD13  ILE  12          HD13      ILE  12  17.749   4.858  -5.272
  113    H    LEU  13           HN       LEU  13  13.625   5.299  -2.438
  114    HA   LEU  13           HA       LEU  13  14.223   2.685  -1.266
  115    HB2  LEU  13           HB2      LEU  13  12.373   3.953   0.018
  116    HB3  LEU  13           HB1      LEU  13  11.418   3.914  -1.502
  117    HG   LEU  13           HG       LEU  13  12.532   1.274  -0.626
  118   HD11  LEU  13          HD11      LEU  13  10.330   2.671   1.021
  119   HD12  LEU  13          HD12      LEU  13  11.969   2.186   1.600
  120   HD13  LEU  13          HD13      LEU  13  10.769   0.923   1.128
  121   HD21  LEU  13          HD21      LEU  13  10.527   2.218  -2.405
  122   HD22  LEU  13          HD22      LEU  13   9.612   1.451  -1.053
  123   HD23  LEU  13          HD23      LEU  13  10.858   0.505  -1.949
  124    H    GLN  14           HN       GLN  14  14.349   1.161  -2.859
  125    HA   GLN  14           HA       GLN  14  12.664   1.613  -5.205
  126    HB2  GLN  14           HB2      GLN  14  15.635   0.809  -5.195
  127    HB3  GLN  14           HB1      GLN  14  14.551   0.600  -6.619
  128    HG2  GLN  14           HG2      GLN  14  14.190   3.024  -6.795
  129    HG3  GLN  14           HG1      GLN  14  15.087   3.312  -5.253
  130   HE21  GLN  14          HE21      GLN  14  15.687   4.264  -8.060
  131   HE22  GLN  14          HE22      GLN  14  17.289   3.712  -8.407
  132    H    ARG  15           HN       ARG  15  12.444   0.106  -2.681
  133    HA   ARG  15           HA       ARG  15  13.182  -2.540  -3.145
  134    HB2  ARG  15           HB2      ARG  15  10.906  -1.419  -1.421
  135    HB3  ARG  15           HB1      ARG  15  11.410  -3.144  -1.421
  136    HG2  ARG  15           HG2      ARG  15  13.277  -0.801  -0.712
  137    HG3  ARG  15           HG1      ARG  15  12.351  -1.761   0.492
  138    HD2  ARG  15           HD2      ARG  15  13.542  -3.864  -0.325
  139    HD3  ARG  15           HD1      ARG  15  14.546  -2.816  -1.422
  140    HE   ARG  15           HE       ARG  15  14.675  -1.738   1.241
  141   HH11  ARG  15          HH11      ARG  15  15.629  -4.588  -0.669
  142   HH12  ARG  15          HH12      ARG  15  17.048  -4.931   0.264
  143   HH21  ARG  15          HH21      ARG  15  16.603  -2.203   2.511
  144   HH22  ARG  15          HH22      ARG  15  17.610  -3.551   2.104
  145    H    LYS  16           HN       LYS  16  10.276  -0.603  -3.903
  146    HA   LYS  16           HA       LYS  16   8.623  -0.930  -5.314
  147    HB2  LYS  16           HB2      LYS  16  10.132  -3.378  -6.397
  148    HB3  LYS  16           HB1      LYS  16   8.707  -2.596  -7.163
  149    HG2  LYS  16           HG2      LYS  16  11.444  -1.263  -6.692
  150    HG3  LYS  16           HG1      LYS  16  10.871  -1.957  -8.246
  151    HD2  LYS  16           HD2      LYS  16   8.958  -0.320  -8.250
  152    HD3  LYS  16           HD1      LYS  16   9.577   0.389  -6.718
  153    HE2  LYS  16           HE2      LYS  16  11.719   1.027  -7.876
  154    HE3  LYS  16           HE1      LYS  16  11.082   0.322  -9.421
  155    HZ1  LYS  16           HZ1      LYS  16  10.545   2.834  -8.189
  156    HZ2  LYS  16           HZ2      LYS  16   9.109   1.990  -8.523
  157    HZ3  LYS  16           HZ3      LYS  16  10.224   2.295  -9.767
  158    H    LYS  17           HN       LYS  17   9.416  -4.451  -4.992
  159    HA   LYS  17           HA       LYS  17   7.445  -4.746  -2.963
  160    HB2  LYS  17           HB2      LYS  17   5.875  -6.207  -4.213
  161    HB3  LYS  17           HB1      LYS  17   5.891  -4.559  -4.931
  162    HG2  LYS  17           HG2      LYS  17   7.478  -5.349  -6.706
  163    HG3  LYS  17           HG1      LYS  17   7.441  -7.001  -5.999
  164    HD2  LYS  17           HD2      LYS  17   4.977  -7.125  -6.418
  165    HD3  LYS  17           HD1      LYS  17   5.012  -5.471  -7.122
  166    HE2  LYS  17           HE2      LYS  17   6.553  -6.271  -8.939
  167    HE3  LYS  17           HE1      LYS  17   6.528  -7.937  -8.223
  168    HZ1  LYS  17           HZ1      LYS  17   4.761  -8.277  -9.446
  169    HZ2  LYS  17           HZ2      LYS  17   4.642  -6.646  -9.908
  170    HZ3  LYS  17           HZ3      LYS  17   3.896  -7.182  -8.479
  Start of MODEL    3
    1    H1   GLU   1           HT1      GLU   1   3.629   2.278   7.953
    2    H2   GLU   1           HT2      GLU   1   2.095   3.004   7.943
    3    H3   GLU   1           HT3      GLU   1   2.243   1.333   7.680
    4    HA   GLU   1           HA       GLU   1   2.346   2.864  10.140
    5    HB2  GLU   1           HB2      GLU   1   0.398   1.396   9.471
    6    HB3  GLU   1           HB1      GLU   1   1.509  -0.018   9.470
    7    HG2  GLU   1           HG2      GLU   1   1.933   0.277  11.923
    8    HG3  GLU   1           HG1      GLU   1   0.861   1.734  11.941
    9    H    MET   2           HN       MET   2   3.975   0.049   8.562
   10    HA   MET   2           HA       MET   2   5.366  -0.722  10.878
   11    HB2  MET   2           HB2      MET   2   6.036  -1.087   7.903
   12    HB3  MET   2           HB1      MET   2   7.008  -1.813   9.232
   13    HG2  MET   2           HG2      MET   2   4.871  -2.950  10.054
   14    HG3  MET   2           HG1      MET   2   4.060  -2.369   8.566
   15    HE1  MET   2           HE1      MET   2   4.457  -2.821   6.399
   16    HE2  MET   2           HE2      MET   2   5.342  -4.199   5.659
   17    HE3  MET   2           HE3      MET   2   6.235  -2.720   6.154
   18    H    ARG   3           HN       ARG   3   6.034   1.606   8.212
   19    HA   ARG   3           HA       ARG   3   7.421   3.344   8.145
   20    HB2  ARG   3           HB2      ARG   3   6.915   3.513  10.725
   21    HB3  ARG   3           HB1      ARG   3   8.522   2.729  10.912
   22    HG2  ARG   3           HG2      ARG   3   9.607   4.576   9.642
   23    HG3  ARG   3           HG1      ARG   3   8.010   5.355   9.378
   24    HD2  ARG   3           HD2      ARG   3   7.759   5.624  11.903
   25    HD3  ARG   3           HD1      ARG   3   9.436   4.939  12.100
   26    HE   ARG   3           HE       ARG   3   9.561   7.080  10.194
   27   HH11  ARG   3          HH11      ARG   3   8.864   6.458  13.630
   28   HH12  ARG   3          HH12      ARG   3   9.424   8.000  14.184
   29   HH21  ARG   3          HH21      ARG   3  10.325   9.180  10.945
   30   HH22  ARG   3          HH22      ARG   3  10.269   9.575  12.630
   31    H    LEU   4           HN       LEU   4   8.230   0.173   8.241
   32    HA   LEU   4           HA       LEU   4  11.010   0.323   8.565
   33    HB2  LEU   4           HB2      LEU   4   9.291  -1.796   8.222
   34    HB3  LEU   4           HB1      LEU   4   9.937  -1.653   6.549
   35    HG   LEU   4           HG       LEU   4  11.235  -3.262   7.919
   36   HD11  LEU   4          HD11      LEU   4  13.403  -2.585   7.198
   37   HD12  LEU   4          HD12      LEU   4  13.052  -0.832   7.454
   38   HD13  LEU   4          HD13      LEU   4  12.287  -1.716   6.078
   39   HD21  LEU   4          HD21      LEU   4  11.847  -2.876  10.068
   40   HD22  LEU   4          HD22      LEU   4  10.947  -1.312   9.996
   41   HD23  LEU   4          HD23      LEU   4  12.709  -1.358   9.612
   42    H    SER   5           HN       SER   5   8.787   0.914   5.804
   43    HA   SER   5           HA       SER   5  11.022   1.247   4.025
   44    HB2  SER   5           HB2      SER   5   9.201   2.263   2.464
   45    HB3  SER   5           HB1      SER   5   8.959   0.529   2.916
   46    HG   SER   5           HG       SER   5   7.767   2.826   4.095
   47    H    LYS   6           HN       LYS   6  12.003   2.715   5.800
   48    HA   LYS   6           HA       LYS   6  11.214   5.444   5.130
   49    HB2  LYS   6           HB2      LYS   6  10.261   5.186   7.372
   50    HB3  LYS   6           HB1      LYS   6  11.715   4.261   7.906
   51    HG2  LYS   6           HG2      LYS   6  11.539   6.705   8.740
   52    HG3  LYS   6           HG1      LYS   6  13.096   6.224   7.986
   53    HD2  LYS   6           HD2      LYS   6  12.016   7.189   5.761
   54    HD3  LYS   6           HD1      LYS   6  10.877   8.014   6.871
   55    HE2  LYS   6           HE2      LYS   6  12.424   9.642   7.283
   56    HE3  LYS   6           HE1      LYS   6  13.614   8.405   7.855
   57    H    PHE   7           HN       PHE   7  13.523   3.329   6.856
   58    HA   PHE   7           HA       PHE   7  15.650   4.976   6.940
   59    HB2  PHE   7           HB2      PHE   7  15.546   2.018   6.262
   60    HB3  PHE   7           HB1      PHE   7  16.997   2.871   6.913
   61    HD1  PHE   7           HD1      PHE   7  13.960   1.185   7.575
   62    HD2  PHE   7           HD2      PHE   7  16.783   3.916   9.183
   63    HE1  PHE   7           HE1      PHE   7  13.111   0.739   9.815
   64    HE2  PHE   7           HE2      PHE   7  15.930   3.458  11.430
   65    HZ   PHE   7           HZ       PHE   7  14.100   1.876  11.701
   66    H    PHE   8           HN       PHE   8  14.615   2.918   4.081
   67    HA   PHE   8           HA       PHE   8  16.795   4.187   2.667
   68    HB2  PHE   8           HB2      PHE   8  16.004   2.681   0.697
   69    HB3  PHE   8           HB1      PHE   8  16.844   1.886   2.082
   70    HD1  PHE   8           HD1      PHE   8  13.632   2.405   0.390
   71    HD2  PHE   8           HD2      PHE   8  15.679   0.495   3.582
   72    HE1  PHE   8           HE1      PHE   8  11.727   0.917   0.729
   73    HE2  PHE   8           HE2      PHE   8  13.779  -0.987   3.915
   74    HZ   PHE   8           HZ       PHE   8  11.797  -0.790   2.490
   75    H    ARG   9           HN       ARG   9  13.434   4.590   3.263
   76    HA   ARG   9           HA       ARG   9  12.764   5.656   0.726
   77    HB2  ARG   9           HB2      ARG   9  11.145   4.855   2.634
   78    HB3  ARG   9           HB1      ARG   9  11.463   6.469   3.359
   79    HG2  ARG   9           HG2      ARG   9  10.723   6.430   0.434
   80    HG3  ARG   9           HG1      ARG   9   9.431   5.964   1.608
   81    HD2  ARG   9           HD2      ARG   9   9.970   8.131   2.901
   82    HD3  ARG   9           HD1      ARG   9  11.026   8.597   1.498
   83    HE   ARG   9           HE       ARG   9   8.437   7.821   0.495
   84   HH11  ARG   9          HH11      ARG   9  10.074  10.341   2.405
   85   HH12  ARG   9          HH12      ARG   9   8.980  11.608   1.961
   86   HH21  ARG   9          HH21      ARG   9   6.946   9.544  -0.111
   87   HH22  ARG   9          HH22      ARG   9   7.170  11.145   0.506
   88    H    ASN  10           HN       ASN  10  14.397   6.761   3.654
   89    HA   ASN  10           HA       ASN  10  14.126   9.504   3.291
   90    HB2  ASN  10           HB2      ASN  10  16.525   7.870   4.341
   91    HB3  ASN  10           HB1      ASN  10  16.430   9.663   4.431
   92   HD21  ASN  10          HD21      ASN  10  13.274   9.057   4.904
   93    H    PHE  11           HN       PHE  11  16.191   7.001   1.769
   94    HA   PHE  11           HA       PHE  11  17.659   8.946   0.265
   95    HB2  PHE  11           HB2      PHE  11  17.432   5.875   0.180
   96    HB3  PHE  11           HB1      PHE  11  18.269   6.788  -1.141
   97    HD1  PHE  11           HD1      PHE  11  18.640   5.235   2.014
   98    HD2  PHE  11           HD2      PHE  11  20.082   8.453  -0.358
   99    HE1  PHE  11           HE1      PHE  11  20.698   5.293   3.341
  100    HE2  PHE  11           HE2      PHE  11  22.131   8.511   0.969
  101    HZ   PHE  11           HZ       PHE  11  22.450   6.932   2.821
  102    H    ILE  12           HN       ILE  12  15.486   6.189  -0.793
  103    HA   ILE  12           HA       ILE  12  13.861   7.998  -2.265
  104    HB   ILE  12           HB       ILE  12  14.142   6.713  -4.438
  105   HG12  ILE  12          HG12      ILE  12  16.851   5.908  -3.225
  106   HG13  ILE  12          HG11      ILE  12  15.430   4.806  -3.296
  107   HG21  ILE  12          HG21      ILE  12  15.102   9.076  -3.817
  108   HG22  ILE  12          HG22      ILE  12  15.782   8.231  -5.259
  109   HG23  ILE  12          HG23      ILE  12  16.699   8.244  -3.706
  110   HD11  ILE  12          HD11      ILE  12  16.730   4.290  -5.254
  111   HD12  ILE  12          HD12      ILE  12  16.995   6.033  -5.641
  112   HD13  ILE  12          HD13      ILE  12  15.358   5.301  -5.849
  113    H    LEU  13           HN       LEU  13  12.008   6.780  -3.229
  114    HA   LEU  13           HA       LEU  13  11.595   4.344  -1.681
  115    HB2  LEU  13           HB2      LEU  13   9.917   6.211  -1.298
  116    HB3  LEU  13           HB1      LEU  13   9.552   6.188  -3.055
  117    HG   LEU  13           HG       LEU  13   8.798   3.813  -2.868
  118   HD11  LEU  13          HD11      LEU  13   9.620   2.639  -1.086
  119   HD12  LEU  13          HD12      LEU  13   8.236   3.353  -0.177
  120   HD13  LEU  13          HD13      LEU  13   9.866   4.120  -0.086
  121   HD21  LEU  13          HD21      LEU  13   7.278   5.922  -2.549
  122   HD22  LEU  13          HD22      LEU  13   7.256   5.472  -0.801
  123   HD23  LEU  13          HD23      LEU  13   6.627   4.317  -2.038
  124    H    GLN  14           HN       GLN  14  11.875   2.497  -2.851
  125    HA   GLN  14           HA       GLN  14  11.021   2.617  -5.657
  126    HB2  GLN  14           HB2      GLN  14  13.431   1.136  -4.464
  127    HB3  GLN  14           HB1      GLN  14  12.759   0.783  -6.096
  128    HG2  GLN  14           HG2      GLN  14  13.306   3.054  -6.885
  129    HG3  GLN  14           HG1      GLN  14  13.830   3.546  -5.224
  130   HE21  GLN  14          HE21      GLN  14  15.382   3.336  -7.844
  131   HE22  GLN  14          HE22      GLN  14  16.728   2.307  -7.489
  132    H    ARG  15           HN       ARG  15  10.888   1.236  -2.504
  133    HA   ARG  15           HA       ARG  15   9.758  -0.437  -1.647
  134    HB2  ARG  15           HB2      ARG  15   8.371  -0.703  -4.381
  135    HB3  ARG  15           HB1      ARG  15   7.860  -1.534  -2.874
  136    HG2  ARG  15           HG2      ARG  15   7.995   1.526  -3.167
  137    HG3  ARG  15           HG1      ARG  15   6.521   0.551  -3.494
  138    HD2  ARG  15           HD2      ARG  15   6.653  -0.344  -1.091
  139    HD3  ARG  15           HD1      ARG  15   8.011   0.830  -0.794
  140    HE   ARG  15           HE       ARG  15   5.807   2.269  -1.948
  141   HH11  ARG  15          HH11      ARG  15   6.722   0.460   0.981
  142   HH12  ARG  15          HH12      ARG  15   5.721   1.381   2.052
  143   HH21  ARG  15          HH21      ARG  15   4.438   3.519  -0.494
  144   HH22  ARG  15          HH22      ARG  15   4.396   3.148   1.197
  145    H    LYS  16           HN       LYS  16  12.272  -0.713  -3.462
  146    HA   LYS  16           HA       LYS  16  12.144  -3.247  -4.620
  147    HB2  LYS  16           HB2      LYS  16  13.987  -1.604  -5.094
  148    HB3  LYS  16           HB1      LYS  16  14.556  -1.785  -3.400
  149    HG2  LYS  16           HG2      LYS  16  15.975  -3.130  -4.842
  150    HG3  LYS  16           HG1      LYS  16  14.983  -4.231  -3.832
  151    HD2  LYS  16           HD2      LYS  16  13.435  -4.634  -5.726
  152    HD3  LYS  16           HD1      LYS  16  14.324  -3.444  -6.739
  153    HE2  LYS  16           HE2      LYS  16  16.378  -4.890  -6.643
  154    HE3  LYS  16           HE1      LYS  16  15.481  -6.087  -5.618
  155    HZ1  LYS  16           HZ1      LYS  16  13.938  -6.409  -7.402
  156    HZ2  LYS  16           HZ2      LYS  16  15.521  -6.656  -7.964
  157    HZ3  LYS  16           HZ3      LYS  16  14.695  -5.226  -8.355
  158    H    LYS  17           HN       LYS  17  13.053  -2.095  -1.329
  159    HA   LYS  17           HA       LYS  17  13.321  -4.895  -0.541
  160    HB2  LYS  17           HB2      LYS  17  13.936  -2.283   0.966
  161    HB3  LYS  17           HB1      LYS  17  14.107  -3.927   1.679
  162    HG2  LYS  17           HG2      LYS  17  15.797  -4.516  -0.068
  163    HG3  LYS  17           HG1      LYS  17  15.630  -2.875  -0.784
  164    HD2  LYS  17           HD2      LYS  17  16.415  -1.858   1.366
  165    HD3  LYS  17           HD1      LYS  17  16.579  -3.498   2.083
  166    HE2  LYS  17           HE2      LYS  17  18.312  -4.087   0.362
  167    HE3  LYS  17           HE1      LYS  17  18.140  -2.437  -0.371
  168    HZ1  LYS  17           HZ1      LYS  17  18.536  -2.155   2.382
  169    HZ2  LYS  17           HZ2      LYS  17  19.559  -1.711   1.102
  170    HZ3  LYS  17           HZ3      LYS  17  19.696  -3.251   1.805
  Start of MODEL    4
    1    H1   GLU   1           HT1      GLU   1   3.817   1.364   5.701
    2    H2   GLU   1           HT2      GLU   1   2.450   1.009   4.758
    3    H3   GLU   1           HT3      GLU   1   3.923   0.223   4.447
    4    HA   GLU   1           HA       GLU   1   1.894  -0.331   6.397
    5    HB2  GLU   1           HB2      GLU   1   4.176  -1.892   5.066
    6    HB3  GLU   1           HB1      GLU   1   3.062  -2.638   6.268
    7    HG2  GLU   1           HG2      GLU   1   1.106  -2.217   4.802
    8    HG3  GLU   1           HG1      GLU   1   2.144  -1.325   3.620
    9    H    MET   2           HN       MET   2   5.481   0.088   6.342
   10    HA   MET   2           HA       MET   2   5.341  -0.018   9.270
   11    HB2  MET   2           HB2      MET   2   7.615  -1.083   7.488
   12    HB3  MET   2           HB1      MET   2   7.687  -0.948   9.282
   13    HG2  MET   2           HG2      MET   2   5.795  -2.549   9.495
   14    HG3  MET   2           HG1      MET   2   5.687  -2.676   7.710
   15    HE1  MET   2           HE1      MET   2   5.770  -5.096   9.533
   16    HE2  MET   2           HE2      MET   2   6.934  -6.179   8.694
   17    HE3  MET   2           HE3      MET   2   5.776  -5.192   7.737
   18    H    ARG   3           HN       ARG   3   6.639   1.571  10.331
   19    HA   ARG   3           HA       ARG   3   7.269   3.770   8.572
   20    HB2  ARG   3           HB2      ARG   3   6.239   4.242  10.842
   21    HB3  ARG   3           HB1      ARG   3   7.718   3.551  11.606
   22    HG2  ARG   3           HG2      ARG   3   9.127   5.315  10.682
   23    HG3  ARG   3           HG1      ARG   3   7.791   5.932   9.652
   24    HD2  ARG   3           HD2      ARG   3   8.084   7.401  11.652
   25    HD3  ARG   3           HD1      ARG   3   6.496   6.529  11.781
   26    HE   ARG   3           HE       ARG   3   7.368   5.282  13.616
   27   HH11  ARG   3          HH11      ARG   3   9.935   7.105  11.934
   28   HH12  ARG   3          HH12      ARG   3  11.137   6.828  13.150
   29   HH21  ARG   3          HH21      ARG   3   9.004   4.911  15.262
   30   HH22  ARG   3          HH22      ARG   3  10.598   5.560  15.072
   31    H    LEU   4           HN       LEU   4   8.885   0.971   9.744
   32    HA   LEU   4           HA       LEU   4  11.400   2.034  10.219
   33    HB2  LEU   4           HB2      LEU   4  10.882  -0.382  10.668
   34    HB3  LEU   4           HB1      LEU   4  10.747  -0.664   8.895
   35    HG   LEU   4           HG       LEU   4  13.108  -0.004   8.573
   36   HD11  LEU   4          HD11      LEU   4  13.430   1.638  10.341
   37   HD12  LEU   4          HD12      LEU   4  14.601   0.289  10.625
   38   HD13  LEU   4          HD13      LEU   4  13.104   0.411  11.626
   39   HD21  LEU   4          HD21      LEU   4  14.069  -1.919  10.288
   40   HD22  LEU   4          HD22      LEU   4  13.171  -2.294   8.769
   41   HD23  LEU   4          HD23      LEU   4  12.307  -2.302  10.354
   42    H    SER   5           HN       SER   5   9.701   1.215   7.141
   43    HA   SER   5           HA       SER   5  12.033   1.850   5.607
   44    HB2  SER   5           HB2      SER   5   9.061   1.620   4.808
   45    HB3  SER   5           HB1      SER   5  10.406   1.917   3.636
   46    HG   SER   5           HG       SER   5   9.730  -0.300   3.934
   47    H    LYS   6           HN       LYS   6  12.367   3.857   6.995
   48    HA   LYS   6           HA       LYS   6  10.998   6.086   5.697
   49    HB2  LYS   6           HB2      LYS   6   9.887   6.114   7.843
   50    HB3  LYS   6           HB1      LYS   6  11.377   5.527   8.670
   51    HG2  LYS   6           HG2      LYS   6  10.747   7.974   9.114
   52    HG3  LYS   6           HG1      LYS   6  12.432   7.685   8.572
   53    HD2  LYS   6           HD2      LYS   6  11.459   8.193   6.153
   54    HD3  LYS   6           HD1      LYS   6  10.092   8.931   7.047
   55    HE2  LYS   6           HE2      LYS   6  11.355  10.845   7.111
   56    HE3  LYS   6           HE1      LYS   6  12.379  10.005   8.342
   57    H    PHE   7           HN       PHE   7  13.483   5.108   8.053
   58    HA   PHE   7           HA       PHE   7  15.137   7.237   7.800
   59    HB2  PHE   7           HB2      PHE   7  15.843   4.295   8.114
   60    HB3  PHE   7           HB1      PHE   7  16.881   5.677   8.631
   61    HD1  PHE   7           HD1      PHE   7  14.316   3.402   9.442
   62    HD2  PHE   7           HD2      PHE   7  15.916   7.219  10.386
   63    HE1  PHE   7           HE1      PHE   7  13.160   3.353  11.587
   64    HE2  PHE   7           HE2      PHE   7  14.757   7.159  12.540
   65    HZ   PHE   7           HZ       PHE   7  13.391   5.220  13.097
   66    H    PHE   8           HN       PHE   8  15.007   4.230   5.720
   67    HA   PHE   8           HA       PHE   8  17.057   5.505   4.136
   68    HB2  PHE   8           HB2      PHE   8  16.917   3.298   2.744
   69    HB3  PHE   8           HB1      PHE   8  17.718   3.248   4.358
   70    HD1  PHE   8           HD1      PHE   8  14.760   2.296   2.420
   71    HD2  PHE   8           HD2      PHE   8  16.700   2.168   6.192
   72    HE1  PHE   8           HE1      PHE   8  13.236   0.534   3.150
   73    HE2  PHE   8           HE2      PHE   8  15.181   0.412   6.917
   74    HZ   PHE   8           HZ       PHE   8  13.445  -0.420   5.401
   75    H    ARG   9           HN       ARG   9  13.626   5.106   4.267
   76    HA   ARG   9           HA       ARG   9  13.150   5.140   1.493
   77    HB2  ARG   9           HB2      ARG   9  11.394   4.584   3.238
   78    HB3  ARG   9           HB1      ARG   9  11.412   6.316   3.719
   79    HG2  ARG   9           HG2      ARG   9  10.996   5.700   0.785
   80    HG3  ARG   9           HG1      ARG   9   9.656   5.293   1.928
   81    HD2  ARG   9           HD2      ARG   9   9.790   7.695   2.814
   82    HD3  ARG   9           HD1      ARG   9  10.972   8.042   1.477
   83    HE   ARG   9           HE       ARG   9   8.639   6.797   0.340
   84   HH11  ARG   9          HH11      ARG   9   9.711   9.780   1.966
   85   HH12  ARG   9          HH12      ARG   9   8.562  10.808   1.177
   86   HH21  ARG   9          HH21      ARG   9   7.075   8.194  -0.735
   87   HH22  ARG   9          HH22      ARG   9   7.037   9.890  -0.385
   88    H    ASN  10           HN       ASN  10  13.688   7.641   4.009
   89    HA   ASN  10           HA       ASN  10  13.058   9.810   2.377
   90    HB2  ASN  10           HB2      ASN  10  15.043   9.566   4.714
   91    HB3  ASN  10           HB1      ASN  10  14.626  11.134   3.926
   92   HD21  ASN  10          HD21      ASN  10  14.050   9.586   6.701
   93    H    PHE  11           HN       PHE  11  16.076   7.846   2.770
   94    HA   PHE  11           HA       PHE  11  17.605   9.547   1.117
   95    HB2  PHE  11           HB2      PHE  11  17.860   6.610   1.966
   96    HB3  PHE  11           HB1      PHE  11  18.917   7.265   0.651
   97    HD1  PHE  11           HD1      PHE  11  18.628   6.753   4.115
   98    HD2  PHE  11           HD2      PHE  11  20.089   9.529   1.250
   99    HE1  PHE  11           HE1      PHE  11  20.167   7.667   5.784
  100    HE2  PHE  11           HE2      PHE  11  21.624  10.440   2.919
  101    HZ   PHE  11           HZ       PHE  11  21.670   9.513   5.190
  102    H    ILE  12           HN       ILE  12  15.753   6.474   0.532
  103    HA   ILE  12           HA       ILE  12  14.443   7.208  -1.698
  104    HB   ILE  12           HB       ILE  12  15.767   5.664  -3.387
  105   HG12  ILE  12          HG12      ILE  12  18.285   6.937  -2.439
  106   HG13  ILE  12          HG11      ILE  12  17.644   5.691  -1.309
  107   HG21  ILE  12          HG21      ILE  12  15.386   8.476  -3.067
  108   HG22  ILE  12          HG22      ILE  12  15.813   7.582  -4.575
  109   HG23  ILE  12          HG23      ILE  12  17.116   8.269  -3.535
  110   HD11  ILE  12          HD11      ILE  12  18.995   4.418  -2.796
  111   HD12  ILE  12          HD12      ILE  12  18.471   5.365  -4.242
  112   HD13  ILE  12          HD13      ILE  12  17.331   4.199  -3.464
  113    H    LEU  13           HN       LEU  13  13.137   5.455  -2.395
  114    HA   LEU  13           HA       LEU  13  13.810   2.916  -1.116
  115    HB2  LEU  13           HB2      LEU  13  11.870   4.099   0.066
  116    HB3  LEU  13           HB1      LEU  13  10.983   4.066  -1.495
  117    HG   LEU  13           HG       LEU  13  12.070   1.417  -0.673
  118   HD11  LEU  13          HD11      LEU  13  10.035   2.871   1.119
  119   HD12  LEU  13          HD12      LEU  13  11.591   2.088   1.594
  120   HD13  LEU  13          HD13      LEU  13  10.197   1.074   1.061
  121   HD21  LEU  13          HD21      LEU  13   9.121   1.996  -1.161
  122   HD22  LEU  13          HD22      LEU  13  10.129   0.593  -1.680
  123   HD23  LEU  13          HD23      LEU  13  10.275   2.176  -2.534
  124    H    GLN  14           HN       GLN  14  13.973   1.283  -2.597
  125    HA   GLN  14           HA       GLN  14  12.556   1.711  -5.127
  126    HB2  GLN  14           HB2      GLN  14  15.386   0.574  -4.695
  127    HB3  GLN  14           HB1      GLN  14  14.471   0.436  -6.240
  128    HG2  GLN  14           HG2      GLN  14  14.462   2.871  -6.545
  129    HG3  GLN  14           HG1      GLN  14  15.179   3.124  -4.903
  130   HE21  GLN  14          HE21      GLN  14  16.272   3.867  -7.613
  131   HE22  GLN  14          HE22      GLN  14  17.816   3.095  -7.726
  132    H    ARG  15           HN       ARG  15  12.149   0.369  -2.414
  133    HA   ARG  15           HA       ARG  15  12.402  -2.393  -3.097
  134    HB2  ARG  15           HB2      ARG  15  11.009  -1.076  -0.700
  135    HB3  ARG  15           HB1      ARG  15  11.295  -2.840  -0.893
  136    HG2  ARG  15           HG2      ARG  15  13.549  -0.745  -0.807
  137    HG3  ARG  15           HG1      ARG  15  12.936  -1.620   0.637
  138    HD2  ARG  15           HD2      ARG  15  13.557  -3.823  -0.444
  139    HD3  ARG  15           HD1      ARG  15  14.232  -2.915  -1.866
  140    HE   ARG  15           HE       ARG  15  15.400  -3.051   0.875
  141   HH11  ARG  15          HH11      ARG  15  15.342  -1.560  -2.366
  142   HH12  ARG  15          HH12      ARG  15  16.940  -0.901  -2.257
  143   HH21  ARG  15          HH21      ARG  15  17.568  -2.156   1.016
  144   HH22  ARG  15          HH22      ARG  15  18.226  -1.247  -0.303
  145    H    LYS  16           HN       LYS  16  11.052  -1.997  -5.148
  146    HA   LYS  16           HA       LYS  16   8.354  -1.321  -4.887
  147    HB2  LYS  16           HB2      LYS  16   9.581  -1.310  -7.086
  148    HB3  LYS  16           HB1      LYS  16   9.720  -3.098  -6.988
  149    HG2  LYS  16           HG2      LYS  16   7.895  -2.544  -8.494
  150    HG3  LYS  16           HG1      LYS  16   7.204  -3.268  -7.003
  151    HD2  LYS  16           HD2      LYS  16   6.600  -1.017  -6.151
  152    HD3  LYS  16           HD1      LYS  16   7.385  -0.243  -7.571
  153    HE2  LYS  16           HE2      LYS  16   5.723  -1.349  -9.100
  154    HE3  LYS  16           HE1      LYS  16   4.935  -2.132  -7.666
  155    HZ1  LYS  16           HZ1      LYS  16   4.478   0.386  -8.726
  156    HZ2  LYS  16           HZ2      LYS  16   5.226   0.638  -7.222
  157    HZ3  LYS  16           HZ3      LYS  16   3.816  -0.304  -7.322
  158    H    LYS  17           HN       LYS  17  10.134  -4.451  -4.815
  159    HA   LYS  17           HA       LYS  17   7.733  -5.587  -3.592
  160    HB2  LYS  17           HB2      LYS  17   9.334  -6.709  -5.947
  161    HB3  LYS  17           HB1      LYS  17   8.507  -7.821  -4.799
  162    HG2  LYS  17           HG2      LYS  17   7.015  -5.534  -6.200
  163    HG3  LYS  17           HG1      LYS  17   7.241  -7.140  -6.974
  164    HD2  LYS  17           HD2      LYS  17   6.134  -8.227  -4.987
  165    HD3  LYS  17           HD1      LYS  17   5.865  -6.604  -4.266
  166    HE2  LYS  17           HE2      LYS  17   4.770  -7.445  -7.032
  167    HE3  LYS  17           HE1      LYS  17   3.831  -7.556  -5.486
  168    HZ1  LYS  17           HZ1      LYS  17   4.955  -5.012  -5.625
  169    HZ2  LYS  17           HZ2      LYS  17   3.321  -5.461  -5.747
  170    HZ3  LYS  17           HZ3      LYS  17   4.275  -5.335  -7.146
  Start of MODEL    5
    1    H1   GLU   1           HT1      GLU   1   2.353  -0.072   8.044
    2    H2   GLU   1           HT2      GLU   1   1.538   1.093   7.112
    3    H3   GLU   1           HT3      GLU   1   0.745   0.336   8.410
    4    HA   GLU   1           HA       GLU   1   2.300   2.660   8.398
    5    HB2  GLU   1           HB2      GLU   1   0.804   1.070  10.558
    6    HB3  GLU   1           HB1      GLU   1   1.527   2.689  10.866
    7    HG2  GLU   1           HG2      GLU   1   0.061   3.733   9.156
    8    HG3  GLU   1           HG1      GLU   1  -0.607   2.117   8.699
    9    H    MET   2           HN       MET   2   4.391   1.144   7.831
   10    HA   MET   2           HA       MET   2   5.606   0.446  10.406
   11    HB2  MET   2           HB2      MET   2   5.561  -1.276   8.436
   12    HB3  MET   2           HB1      MET   2   6.704  -0.166   7.606
   13    HG2  MET   2           HG2      MET   2   8.000  -1.902   8.674
   14    HG3  MET   2           HG1      MET   2   8.277  -0.374   9.564
   15    HE1  MET   2           HE1      MET   2   9.321  -2.655  10.471
   16    HE2  MET   2           HE2      MET   2   8.665  -3.416  11.961
   17    HE3  MET   2           HE3      MET   2   9.186  -1.697  11.988
   18    H    ARG   3           HN       ARG   3   6.943   1.994  11.267
   19    HA   ARG   3           HA       ARG   3   7.686   4.177   9.537
   20    HB2  ARG   3           HB2      ARG   3   7.066   4.645  11.949
   21    HB3  ARG   3           HB1      ARG   3   8.509   3.692  12.458
   22    HG2  ARG   3           HG2      ARG   3  10.041   5.279  11.439
   23    HG3  ARG   3           HG1      ARG   3   8.706   6.141  10.597
   24    HD2  ARG   3           HD2      ARG   3   8.985   5.981  13.685
   25    HD3  ARG   3           HD1      ARG   3   9.569   7.371  12.663
   26    HE   ARG   3           HE       ARG   3   6.830   6.885  11.987
   27   HH11  ARG   3          HH11      ARG   3   8.852   7.898  14.737
   28   HH12  ARG   3          HH12      ARG   3   7.636   8.893  15.465
   29   HH21  ARG   3          HH21      ARG   3   5.174   8.239  12.974
   30   HH22  ARG   3          HH22      ARG   3   5.508   9.090  14.444
   31    H    LEU   4           HN       LEU   4   9.015   1.097  10.382
   32    HA   LEU   4           HA       LEU   4  11.703   1.783  10.473
   33    HB2  LEU   4           HB2      LEU   4  10.919  -0.553  10.960
   34    HB3  LEU   4           HB1      LEU   4  10.478  -0.746   9.225
   35    HG   LEU   4           HG       LEU   4  12.830  -0.422   8.548
   36   HD11  LEU   4          HD11      LEU   4  13.683   1.094  10.230
   37   HD12  LEU   4          HD12      LEU   4  14.638  -0.434  10.376
   38   HD13  LEU   4          HD13      LEU   4  13.332  -0.070  11.566
   39   HD21  LEU   4          HD21      LEU   4  12.183  -2.726   8.888
   40   HD22  LEU   4          HD22      LEU   4  12.336  -2.585  10.681
   41   HD23  LEU   4          HD23      LEU   4  13.811  -2.531   9.642
   42    H    SER   5           HN       SER   5   9.444   1.338   7.695
   43    HA   SER   5           HA       SER   5  11.572   1.695   5.812
   44    HB2  SER   5           HB2      SER   5   8.519   2.015   5.460
   45    HB3  SER   5           HB1      SER   5   9.728   2.012   4.114
   46    HG   SER   5           HG       SER   5   8.530  -0.029   5.271
   47    H    LYS   6           HN       LYS   6  12.421   3.579   7.164
   48    HA   LYS   6           HA       LYS   6  11.179   6.030   6.170
   49    HB2  LYS   6           HB2      LYS   6  10.488   6.113   8.482
   50    HB3  LYS   6           HB1      LYS   6  12.004   5.295   9.011
   51    HG2  LYS   6           HG2      LYS   6  11.817   7.784   9.606
   52    HG3  LYS   6           HG1      LYS   6  13.316   7.296   8.754
   53    HD2  LYS   6           HD2      LYS   6  12.003   8.033   6.568
   54    HD3  LYS   6           HD1      LYS   6  10.932   8.904   7.712
   55    HE2  LYS   6           HE2      LYS   6  12.434  10.633   7.577
   56    HE3  LYS   6           HE1      LYS   6  13.540   9.615   8.583
   57    H    PHE   7           HN       PHE   7  13.887   4.623   8.000
   58    HA   PHE   7           HA       PHE   7  15.747   6.528   7.497
   59    HB2  PHE   7           HB2      PHE   7  16.092   3.507   7.611
   60    HB3  PHE   7           HB1      PHE   7  17.378   4.720   7.971
   61    HD1  PHE   7           HD1      PHE   7  14.694   2.763   9.163
   62    HD2  PHE   7           HD2      PHE   7  16.956   6.279   9.908
   63    HE1  PHE   7           HE1      PHE   7  13.928   2.763  11.477
   64    HE2  PHE   7           HE2      PHE   7  16.178   6.272  12.229
   65    HZ   PHE   7           HZ       PHE   7  14.669   4.507  12.968
   66    H    PHE   8           HN       PHE   8  14.842   3.662   5.413
   67    HA   PHE   8           HA       PHE   8  16.731   4.729   3.505
   68    HB2  PHE   8           HB2      PHE   8  16.011   2.601   2.135
   69    HB3  PHE   8           HB1      PHE   8  17.128   2.409   3.537
   70    HD1  PHE   8           HD1      PHE   8  13.736   1.859   2.277
   71    HD2  PHE   8           HD2      PHE   8  16.392   1.432   5.561
   72    HE1  PHE   8           HE1      PHE   8  12.193   0.286   3.329
   73    HE2  PHE   8           HE2      PHE   8  14.852  -0.134   6.605
   74    HZ   PHE   8           HZ       PHE   8  12.749  -0.721   5.494
   75    H    ARG   9           HN       ARG   9  13.372   4.804   4.270
   76    HA   ARG   9           HA       ARG   9  12.405   4.993   1.627
   77    HB2  ARG   9           HB2      ARG   9  10.926   4.592   3.641
   78    HB3  ARG   9           HB1      ARG   9  11.275   6.276   4.164
   79    HG2  ARG   9           HG2      ARG   9  10.257   5.891   1.342
   80    HG3  ARG   9           HG1      ARG   9   9.099   5.601   2.698
   81    HD2  ARG   9           HD2      ARG   9   9.749   7.909   3.626
   82    HD3  ARG   9           HD1      ARG   9  10.680   8.171   2.088
   83    HE   ARG   9           HE       ARG   9   8.031   7.322   1.387
   84   HH11  ARG   9          HH11      ARG   9   9.758  10.016   2.949
   85   HH12  ARG   9          HH12      ARG   9   8.622  11.230   2.465
   86   HH21  ARG   9          HH21      ARG   9   6.483   8.972   0.726
   87   HH22  ARG   9          HH22      ARG   9   6.727  10.624   1.179
   88    H    ASN  10           HN       ASN  10  13.712   7.297   4.044
   89    HA   ASN  10           HA       ASN  10  13.102   9.595   2.591
   90    HB2  ASN  10           HB2      ASN  10  15.422   8.993   4.522
   91    HB3  ASN  10           HB1      ASN  10  15.088  10.634   3.851
   92   HD21  ASN  10          HD21      ASN  10  14.811   9.047   6.654
   93    H    PHE  11           HN       PHE  11  15.835   7.233   2.396
   94    HA   PHE  11           HA       PHE  11  17.263   8.788   0.519
   95    HB2  PHE  11           HB2      PHE  11  17.296   5.827   1.310
   96    HB3  PHE  11           HB1      PHE  11  18.152   6.359  -0.192
   97    HD1  PHE  11           HD1      PHE  11  18.449   5.883   3.289
   98    HD2  PHE  11           HD2      PHE  11  19.727   8.404   0.117
   99    HE1  PHE  11           HE1      PHE  11  20.396   6.566   4.612
  100    HE2  PHE  11           HE2      PHE  11  21.666   9.085   1.440
  101    HZ   PHE  11           HZ       PHE  11  22.008   8.167   3.689
  102    H    ILE  12           HN       ILE  12  14.982   5.948   0.206
  103    HA   ILE  12           HA       ILE  12  13.455   6.954  -1.763
  104    HB   ILE  12           HB       ILE  12  15.261   7.137  -3.358
  105   HG12  ILE  12          HG12      ILE  12  14.682   5.332  -5.044
  106   HG13  ILE  12          HG11      ILE  12  13.655   4.561  -3.791
  107   HG21  ILE  12          HG21      ILE  12  16.237   4.735  -1.894
  108   HG22  ILE  12          HG22      ILE  12  17.148   5.951  -2.863
  109   HG23  ILE  12          HG23      ILE  12  16.366   4.549  -3.683
  110   HD11  ILE  12          HD11      ILE  12  12.883   6.614  -5.618
  111   HD12  ILE  12          HD12      ILE  12  13.029   7.447  -4.024
  112   HD13  ILE  12          HD13      ILE  12  11.939   6.018  -4.199
  113    H    LEU  13           HN       LEU  13  11.748   5.542  -2.036
  114    HA   LEU  13           HA       LEU  13  12.280   2.787  -1.201
  115    HB2  LEU  13           HB2      LEU  13  10.983   4.013   0.590
  116    HB3  LEU  13           HB1      LEU  13   9.761   4.466  -0.647
  117    HG   LEU  13           HG       LEU  13   9.286   2.044  -1.051
  118   HD11  LEU  13          HD11      LEU  13  11.607   1.717   0.831
  119   HD12  LEU  13          HD12      LEU  13  11.003   0.631  -0.478
  120   HD13  LEU  13          HD13      LEU  13  10.202   0.628   1.140
  121   HD21  LEU  13          HD21      LEU  13   8.934   3.235   1.751
  122   HD22  LEU  13          HD22      LEU  13   8.257   1.616   1.329
  123   HD23  LEU  13          HD23      LEU  13   7.731   3.081   0.415
  124    H    GLN  14           HN       GLN  14  11.870   1.403  -2.886
  125    HA   GLN  14           HA       GLN  14   9.743   2.226  -4.719
  126    HB2  GLN  14           HB2      GLN  14  12.507   1.134  -5.478
  127    HB3  GLN  14           HB1      GLN  14  11.104   1.140  -6.604
  128    HG2  GLN  14           HG2      GLN  14  11.006   3.596  -6.593
  129    HG3  GLN  14           HG1      GLN  14  12.260   3.686  -5.293
  130   HE21  GLN  14          HE21      GLN  14  12.349   4.780  -8.087
  131   HE22  GLN  14          HE22      GLN  14  13.738   4.067  -8.833
  132    H    ARG  15           HN       ARG  15  11.826  -0.264  -3.251
  133    HA   ARG  15           HA       ARG  15  11.504  -2.392  -2.848
  134    HB2  ARG  15           HB2      ARG  15   8.522  -1.822  -3.330
  135    HB3  ARG  15           HB1      ARG  15   9.172  -3.373  -2.698
  136    HG2  ARG  15           HG2      ARG  15   9.575  -0.650  -1.324
  137    HG3  ARG  15           HG1      ARG  15   8.251  -1.799  -0.928
  138    HD2  ARG  15           HD2      ARG  15  10.026  -3.572  -0.394
  139    HD3  ARG  15           HD1      ARG  15  11.294  -2.287  -0.621
  140    HE   ARG  15           HE       ARG  15   9.312  -1.290   1.203
  141   HH11  ARG  15          HH11      ARG  15  11.806  -3.813   0.904
  142   HH12  ARG  15          HH12      ARG  15  12.180  -3.865   2.593
  143   HH21  ARG  15          HH21      ARG  15   9.821  -1.357   3.509
  144   HH22  ARG  15          HH22      ARG  15  11.030  -2.447   4.098
  145    H    LYS  16           HN       LYS  16  11.873  -1.247  -5.645
  146    HA   LYS  16           HA       LYS  16  10.461  -2.851  -7.432
  147    HB2  LYS  16           HB2      LYS  16  11.766  -0.825  -8.140
  148    HB3  LYS  16           HB1      LYS  16  13.286  -1.671  -7.692
  149    HG2  LYS  16           HG2      LYS  16  13.007  -1.790 -10.105
  150    HG3  LYS  16           HG1      LYS  16  12.785  -3.435  -9.420
  151    HD2  LYS  16           HD2      LYS  16  10.323  -3.216  -9.592
  152    HD3  LYS  16           HD1      LYS  16  10.487  -1.519 -10.163
  153    HE2  LYS  16           HE2      LYS  16  11.687  -2.321 -12.221
  154    HE3  LYS  16           HE1      LYS  16  11.527  -4.032 -11.641
  155    HZ1  LYS  16           HZ1      LYS  16   9.035  -3.371 -11.502
  156    HZ2  LYS  16           HZ2      LYS  16   9.739  -3.808 -12.985
  157    HZ3  LYS  16           HZ3      LYS  16   9.474  -2.171 -12.620
  158    H    LYS  17           HN       LYS  17  13.596  -3.291  -5.708
  159    HA   LYS  17           HA       LYS  17  13.787  -5.939  -6.890
  160    HB2  LYS  17           HB2      LYS  17  15.886  -4.549  -6.718
  161    HB3  LYS  17           HB1      LYS  17  15.654  -4.464  -4.936
  162    HG2  LYS  17           HG2      LYS  17  15.884  -6.939  -4.771
  163    HG3  LYS  17           HG1      LYS  17  16.073  -7.051  -6.555
  164    HD2  LYS  17           HD2      LYS  17  18.155  -5.698  -6.442
  165    HD3  LYS  17           HD1      LYS  17  17.949  -5.492  -4.669
  166    HE2  LYS  17           HE2      LYS  17  19.619  -7.274  -5.134
  167    HE3  LYS  17           HE1      LYS  17  18.139  -8.013  -4.390
  168    HZ1  LYS  17           HZ1      LYS  17  19.339  -8.771  -6.694
  169    HZ2  LYS  17           HZ2      LYS  17  18.024  -7.854  -7.254
  170    HZ3  LYS  17           HZ3      LYS  17  17.760  -9.166  -6.208
  Start of MODEL    6
    1    H1   GLU   1           HT1      GLU   1   2.358  -1.191   8.820
    2    H2   GLU   1           HT2      GLU   1   0.963  -0.411   8.245
    3    H3   GLU   1           HT3      GLU   1   0.858  -1.473   9.567
    4    HA   GLU   1           HA       GLU   1   1.530   1.288   9.482
    5    HB2  GLU   1           HB2      GLU   1   0.816  -0.743  11.671
    6    HB3  GLU   1           HB1      GLU   1   1.079   1.004  12.016
    7    HG2  GLU   1           HG2      GLU   1  -0.814   1.641  10.548
    8    HG3  GLU   1           HG1      GLU   1  -1.038  -0.077  10.035
    9    H    MET   2           HN       MET   2   3.885   0.772   8.651
   10    HA   MET   2           HA       MET   2   5.531   0.543  11.069
   11    HB2  MET   2           HB2      MET   2   6.126  -0.570   8.261
   12    HB3  MET   2           HB1      MET   2   7.351  -0.440   9.572
   13    HG2  MET   2           HG2      MET   2   6.074  -1.990  10.993
   14    HG3  MET   2           HG1      MET   2   4.739  -2.044   9.801
   15    HE1  MET   2           HE1      MET   2   8.845  -2.273   9.169
   16    HE2  MET   2           HE2      MET   2   8.903  -3.966   9.768
   17    HE3  MET   2           HE3      MET   2   8.218  -2.669  10.807
   18    H    ARG   3           HN       ARG   3   7.157   2.120  11.241
   19    HA   ARG   3           HA       ARG   3   7.066   4.093   9.060
   20    HB2  ARG   3           HB2      ARG   3   6.516   4.769  11.556
   21    HB3  ARG   3           HB1      ARG   3   8.288   4.574  11.808
   22    HG2  ARG   3           HG2      ARG   3   8.743   6.269  10.019
   23    HG3  ARG   3           HG1      ARG   3   6.977   6.447   9.736
   24    HD2  ARG   3           HD2      ARG   3   6.695   7.270  12.125
   25    HD3  ARG   3           HD1      ARG   3   8.500   7.164  12.339
   26    HE   ARG   3           HE       ARG   3   7.967   8.696   9.972
   27   HH11  ARG   3          HH11      ARG   3   7.514   8.793  13.503
   28   HH12  ARG   3          HH12      ARG   3   7.604  10.518  13.624
   29   HH21  ARG   3          HH21      ARG   3   8.091  11.044  10.133
   30   HH22  ARG   3          HH22      ARG   3   7.937  11.819  11.674
   31    H    LEU   4           HN       LEU   4   8.788   1.431   9.832
   32    HA   LEU   4           HA       LEU   4  11.385   2.491   9.981
   33    HB2  LEU   4           HB2      LEU   4  10.451  -0.252   8.973
   34    HB3  LEU   4           HB1      LEU   4  12.178   0.209   9.209
   35    HG   LEU   4           HG       LEU   4   9.989   0.097  11.351
   36   HD11  LEU   4          HD11      LEU   4  12.033  -1.832  10.379
   37   HD12  LEU   4          HD12      LEU   4  10.575  -2.096  11.413
   38   HD13  LEU   4          HD13      LEU   4  12.123  -1.542  12.159
   39   HD21  LEU   4          HD21      LEU   4  12.879   1.136  11.468
   40   HD22  LEU   4          HD22      LEU   4  11.990   0.582  12.939
   41   HD23  LEU   4          HD23      LEU   4  11.358   1.970  11.967
   42    H    SER   5           HN       SER   5   9.104   1.993   7.327
   43    HA   SER   5           HA       SER   5  11.179   2.264   5.361
   44    HB2  SER   5           HB2      SER   5   9.151   2.772   3.791
   45    HB3  SER   5           HB1      SER   5   9.171   1.126   4.539
   46    HG   SER   5           HG       SER   5   7.747   3.425   5.414
   47    H    LYS   6           HN       LYS   6  11.997   4.107   6.868
   48    HA   LYS   6           HA       LYS   6  10.959   6.590   5.763
   49    HB2  LYS   6           HB2      LYS   6   9.907   6.662   7.958
   50    HB3  LYS   6           HB1      LYS   6  11.341   5.873   8.717
   51    HG2  LYS   6           HG2      LYS   6  11.045   8.384   9.204
   52    HG3  LYS   6           HG1      LYS   6  12.659   7.882   8.602
   53    HD2  LYS   6           HD2      LYS   6  11.665   8.519   6.218
   54    HD3  LYS   6           HD1      LYS   6  10.452   9.436   7.166
   55    HE2  LYS   6           HE2      LYS   6  11.965  11.160   7.161
   56    HE3  LYS   6           HE1      LYS   6  12.922  10.189   8.351
   57    H    PHE   7           HN       PHE   7  13.294   5.148   8.040
   58    HA   PHE   7           HA       PHE   7  15.278   6.979   7.739
   59    HB2  PHE   7           HB2      PHE   7  15.475   3.960   8.068
   60    HB3  PHE   7           HB1      PHE   7  16.760   5.141   8.526
   61    HD1  PHE   7           HD1      PHE   7  13.829   3.392   9.444
   62    HD2  PHE   7           HD2      PHE   7  16.187   6.817  10.304
   63    HE1  PHE   7           HE1      PHE   7  12.768   3.573  11.629
   64    HE2  PHE   7           HE2      PHE   7  15.119   6.989  12.497
   65    HZ   PHE   7           HZ       PHE   7  13.420   5.358  13.115
   66    H    PHE   8           HN       PHE   8  14.597   4.011   5.714
   67    HA   PHE   8           HA       PHE   8  16.774   4.928   4.045
   68    HB2  PHE   8           HB2      PHE   8  15.935   2.651   2.757
   69    HB3  PHE   8           HB1      PHE   8  17.229   2.684   4.010
   70    HD1  PHE   8           HD1      PHE   8  13.769   1.777   3.259
   71    HD2  PHE   8           HD2      PHE   8  16.788   1.963   6.239
   72    HE1  PHE   8           HE1      PHE   8  12.472   0.264   4.675
   73    HE2  PHE   8           HE2      PHE   8  15.492   0.459   7.648
   74    HZ   PHE   8           HZ       PHE   8  13.330  -0.400   6.874
   75    H    ARG   9           HN       ARG   9  13.291   4.943   4.253
   76    HA   ARG   9           HA       ARG   9  12.798   5.007   1.493
   77    HB2  ARG   9           HB2      ARG   9  11.008   4.689   3.249
   78    HB3  ARG   9           HB1      ARG   9  11.224   6.417   3.702
   79    HG2  ARG   9           HG2      ARG   9   9.981   7.139   1.965
   80    HG3  ARG   9           HG1      ARG   9  10.858   6.090   0.785
   81    HD2  ARG   9           HD2      ARG   9   9.461   4.133   1.501
   82    HD3  ARG   9           HD1      ARG   9   8.551   5.206   2.653
   83    HE   ARG   9           HE       ARG   9   8.489   6.411   0.041
   84   HH11  ARG   9          HH11      ARG   9   7.314   3.563   1.828
   85   HH12  ARG   9          HH12      ARG   9   5.879   3.367   0.880
   86   HH21  ARG   9          HH21      ARG   9   6.535   6.146  -1.250
   87   HH22  ARG   9          HH22      ARG   9   5.429   4.860  -0.900
   88    H    ASN  10           HN       ASN  10  13.673   7.473   3.954
   89    HA   ASN  10           HA       ASN  10  13.258   9.693   2.319
   90    HB2  ASN  10           HB2      ASN  10  15.274   9.217   4.596
   91    HB3  ASN  10           HB1      ASN  10  15.028  10.822   3.809
   92   HD21  ASN  10          HD21      ASN  10  14.490   9.689   6.659
   93    H    PHE  11           HN       PHE  11  16.003   7.375   2.652
   94    HA   PHE  11           HA       PHE  11  17.683   8.883   0.928
   95    HB2  PHE  11           HB2      PHE  11  17.685   5.979   1.939
   96    HB3  PHE  11           HB1      PHE  11  18.786   6.471   0.589
   97    HD1  PHE  11           HD1      PHE  11  18.533   6.099   4.049
   98    HD2  PHE  11           HD2      PHE  11  20.105   8.713   1.090
   99    HE1  PHE  11           HE1      PHE  11  20.165   6.949   5.665
  100    HE2  PHE  11           HE2      PHE  11  21.731   9.561   2.706
  101    HZ   PHE  11           HZ       PHE  11  21.768   8.682   4.996
  102    H    ILE  12           HN       ILE  12  15.847   5.770   0.477
  103    HA   ILE  12           HA       ILE  12  14.472   6.485  -1.730
  104    HB   ILE  12           HB       ILE  12  16.546   6.776  -2.998
  105   HG12  ILE  12          HG12      ILE  12  15.341   4.062  -3.729
  106   HG13  ILE  12          HG11      ILE  12  14.474   5.621  -3.975
  107   HG21  ILE  12          HG21      ILE  12  18.319   5.182  -3.041
  108   HG22  ILE  12          HG22      ILE  12  17.275   3.852  -2.417
  109   HG23  ILE  12          HG23      ILE  12  17.815   5.169  -1.310
  110   HD11  ILE  12          HD11      ILE  12  16.573   4.394  -5.611
  111   HD12  ILE  12          HD12      ILE  12  17.095   6.025  -5.043
  112   HD13  ILE  12          HD13      ILE  12  15.550   5.838  -5.956
  113    H    LEU  13           HN       LEU  13  12.992   4.840  -2.069
  114    HA   LEU  13           HA       LEU  13  13.796   2.225  -1.037
  115    HB2  LEU  13           HB2      LEU  13  12.256   3.345   0.639
  116    HB3  LEU  13           HB1      LEU  13  11.044   3.553  -0.671
  117    HG   LEU  13           HG       LEU  13  10.965   1.067  -0.970
  118   HD11  LEU  13          HD11      LEU  13  13.236   1.186   0.964
  119   HD12  LEU  13          HD12      LEU  13  12.769  -0.104  -0.210
  120   HD13  LEU  13          HD13      LEU  13  11.971  -0.022   1.407
  121   HD21  LEU  13          HD21      LEU  13   9.708   0.570   1.156
  122   HD22  LEU  13          HD22      LEU  13   9.266   2.164   0.432
  123   HD23  LEU  13          HD23      LEU  13  10.355   2.096   1.869
  124    H    GLN  14           HN       GLN  14  13.593   0.697  -2.618
  125    HA   GLN  14           HA       GLN  14  11.440   1.047  -4.520
  126    HB2  GLN  14           HB2      GLN  14  14.401   0.788  -5.306
  127    HB3  GLN  14           HB1      GLN  14  13.049   0.389  -6.426
  128    HG2  GLN  14           HG2      GLN  14  12.224   2.703  -6.375
  129    HG3  GLN  14           HG1      GLN  14  13.417   3.147  -5.092
  130   HE21  GLN  14          HE21      GLN  14  13.123   4.251  -7.870
  131   HE22  GLN  14          HE22      GLN  14  14.648   3.998  -8.647
  132    H    ARG  15           HN       ARG  15  10.864  -0.641  -2.835
  133    HA   ARG  15           HA       ARG  15  12.374  -2.991  -2.755
  134    HB2  ARG  15           HB2      ARG  15   9.389  -2.534  -2.193
  135    HB3  ARG  15           HB1      ARG  15  10.226  -4.099  -1.902
  136    HG2  ARG  15           HG2      ARG  15  11.007  -1.424  -0.593
  137    HG3  ARG  15           HG1      ARG  15   9.963  -2.675   0.167
  138    HD2  ARG  15           HD2      ARG  15  11.891  -4.343  -0.037
  139    HD3  ARG  15           HD1      ARG  15  12.935  -2.983  -0.647
  140    HE   ARG  15           HE       ARG  15  11.674  -2.169   1.816
  141   HH11  ARG  15          HH11      ARG  15  14.089  -4.431   0.500
  142   HH12  ARG  15          HH12      ARG  15  15.063  -4.468   1.931
  143   HH21  ARG  15          HH21      ARG  15  12.998  -2.219   3.765
  144   HH22  ARG  15          HH22      ARG  15  14.430  -3.188   3.820
  145    H    LYS  16           HN       LYS  16   9.682  -1.843  -4.834
  146    HA   LYS  16           HA       LYS  16   9.672  -4.399  -6.180
  147    HB2  LYS  16           HB2      LYS  16   7.498  -3.163  -5.876
  148    HB3  LYS  16           HB1      LYS  16   8.184  -1.774  -6.788
  149    HG2  LYS  16           HG2      LYS  16   6.747  -3.054  -8.278
  150    HG3  LYS  16           HG1      LYS  16   8.450  -3.260  -8.805
  151    HD2  LYS  16           HD2      LYS  16   8.555  -5.485  -7.710
  152    HD3  LYS  16           HD1      LYS  16   6.890  -5.271  -7.066
  153    HE2  LYS  16           HE2      LYS  16   5.984  -5.213  -9.409
  154    HE3  LYS  16           HE1      LYS  16   7.664  -5.419 -10.059
  155    HZ1  LYS  16           HZ1      LYS  16   5.937  -7.396  -9.432
  156    HZ2  LYS  16           HZ2      LYS  16   6.939  -7.359  -8.062
  157    HZ3  LYS  16           HZ3      LYS  16   7.618  -7.561  -9.606
  158    H    LYS  17           HN       LYS  17  11.725  -4.596  -7.141
  159    HA   LYS  17           HA       LYS  17  12.679  -2.350  -8.679
  160    HB2  LYS  17           HB2      LYS  17  14.208  -3.975  -7.348
  161    HB3  LYS  17           HB1      LYS  17  13.815  -5.201  -8.604
  162    HG2  LYS  17           HG2      LYS  17  14.803  -3.815 -10.364
  163    HG3  LYS  17           HG1      LYS  17  15.030  -2.444  -9.225
  164    HD2  LYS  17           HD2      LYS  17  17.185  -3.488  -9.459
  165    HD3  LYS  17           HD1      LYS  17  16.565  -3.971  -7.845
  166    HE2  LYS  17           HE2      LYS  17  17.563  -5.948  -8.912
  167    HE3  LYS  17           HE1      LYS  17  15.765  -6.179  -8.904
  168    HZ1  LYS  17           HZ1      LYS  17  16.594  -4.796 -11.232
  169    HZ2  LYS  17           HZ2      LYS  17  15.784  -6.280 -11.076
  170    HZ3  LYS  17           HZ3      LYS  17  17.481  -6.234 -11.061
  Start of MODEL    7
    1    H1   GLU   1           HT1      GLU   1   4.408  -2.202   7.151
    2    H2   GLU   1           HT2      GLU   1   3.635  -2.128   5.640
    3    H3   GLU   1           HT3      GLU   1   2.803  -2.733   6.991
    4    HA   GLU   1           HA       GLU   1   3.275  -0.024   6.156
    5    HB2  GLU   1           HB2      GLU   1   1.250  -1.325   8.074
    6    HB3  GLU   1           HB1      GLU   1   1.140   0.351   7.431
    7    HG2  GLU   1           HG2      GLU   1   1.034  -2.233   5.727
    8    HG3  GLU   1           HG1      GLU   1  -0.379  -1.204   6.184
    9    H    MET   2           HN       MET   2   5.540  -0.116   7.356
   10    HA   MET   2           HA       MET   2   5.008   0.791  10.098
   11    HB2  MET   2           HB2      MET   2   7.520  -0.644   9.045
   12    HB3  MET   2           HB1      MET   2   7.323   0.022  10.703
   13    HG2  MET   2           HG2      MET   2   5.674  -2.251   9.449
   14    HG3  MET   2           HG1      MET   2   7.000  -2.442  10.637
   15    HE1  MET   2           HE1      MET   2   7.195  -1.636  12.722
   16    HE2  MET   2           HE2      MET   2   5.891  -1.430  13.942
   17    HE3  MET   2           HE3      MET   2   6.405  -0.035  12.933
   18    H    ARG   3           HN       ARG   3   6.019   2.749  10.685
   19    HA   ARG   3           HA       ARG   3   6.935   4.256   8.404
   20    HB2  ARG   3           HB2      ARG   3   5.512   5.300  10.307
   21    HB3  ARG   3           HB1      ARG   3   6.989   5.176  11.332
   22    HG2  ARG   3           HG2      ARG   3   8.241   6.657   9.826
   23    HG3  ARG   3           HG1      ARG   3   6.900   6.662   8.632
   24    HD2  ARG   3           HD2      ARG   3   6.677   7.771  11.520
   25    HD3  ARG   3           HD1      ARG   3   6.956   8.775  10.029
   26    HE   ARG   3           HE       ARG   3   4.654   7.159   9.542
   27   HH11  ARG   3          HH11      ARG   3   5.778   9.726  11.740
   28   HH12  ARG   3          HH12      ARG   3   4.212  10.422  11.980
   29   HH21  ARG   3          HH21      ARG   3   2.521   8.106   9.867
   30   HH22  ARG   3          HH22      ARG   3   2.328   9.484  10.896
   31    H    LEU   4           HN       LEU   4   8.330   2.128  10.709
   32    HA   LEU   4           HA       LEU   4  10.754   3.394  11.182
   33    HB2  LEU   4           HB2      LEU   4   9.726   0.939  11.907
   34    HB3  LEU   4           HB1      LEU   4  10.858   0.430  10.606
   35    HG   LEU   4           HG       LEU   4  11.913   0.327  12.837
   36   HD11  LEU   4          HD11      LEU   4  13.223   2.656  11.319
   37   HD12  LEU   4          HD12      LEU   4  13.223   0.964  10.688
   38   HD13  LEU   4          HD13      LEU   4  14.012   1.338  12.269
   39   HD21  LEU   4          HD21      LEU   4  12.224   2.185  14.303
   40   HD22  LEU   4          HD22      LEU   4  10.507   2.320  13.765
   41   HD23  LEU   4          HD23      LEU   4  11.766   3.388  13.038
   42    H    SER   5           HN       SER   5   9.455   1.702   8.303
   43    HA   SER   5           HA       SER   5  12.037   1.785   7.018
   44    HB2  SER   5           HB2      SER   5  10.360  -0.031   6.407
   45    HB3  SER   5           HB1      SER   5   9.235   1.258   5.825
   46    HG   SER   5           HG       SER   5  10.743   1.821   4.289
   47    H    LYS   6           HN       LYS   6  12.088   4.195   7.735
   48    HA   LYS   6           HA       LYS   6  10.897   5.758   5.552
   49    HB2  LYS   6           HB2      LYS   6   9.669   6.362   7.637
   50    HB3  LYS   6           HB1      LYS   6  11.249   6.564   8.490
   51    HG2  LYS   6           HG2      LYS   6  11.122   8.159   5.996
   52    HG3  LYS   6           HG1      LYS   6   9.776   8.571   7.106
   53    HD2  LYS   6           HD2      LYS   6  11.291   9.223   8.859
   54    HD3  LYS   6           HD1      LYS   6  12.694   8.438   8.056
   55    HE2  LYS   6           HE2      LYS   6  11.186  10.713   6.639
   56    HE3  LYS   6           HE1      LYS   6  12.421  11.081   7.905
   57    H    PHE   7           HN       PHE   7  13.337   5.540   8.151
   58    HA   PHE   7           HA       PHE   7  14.871   7.646   7.433
   59    HB2  PHE   7           HB2      PHE   7  15.718   4.894   8.403
   60    HB3  PHE   7           HB1      PHE   7  16.704   6.396   8.563
   61    HD1  PHE   7           HD1      PHE   7  14.253   4.279   9.942
   62    HD2  PHE   7           HD2      PHE   7  15.672   8.281   9.899
   63    HE1  PHE   7           HE1      PHE   7  13.110   4.704  12.050
   64    HE2  PHE   7           HE2      PHE   7  14.525   8.698  12.020
   65    HZ   PHE   7           HZ       PHE   7  13.256   6.895  13.053
   66    H    PHE   8           HN       PHE   8  14.937   4.271   5.994
   67    HA   PHE   8           HA       PHE   8  17.009   5.283   4.265
   68    HB2  PHE   8           HB2      PHE   8  16.620   2.820   3.204
   69    HB3  PHE   8           HB1      PHE   8  17.717   3.119   4.600
   70    HD1  PHE   8           HD1      PHE   8  14.616   1.617   3.472
   71    HD2  PHE   8           HD2      PHE   8  16.971   2.646   6.849
   72    HE1  PHE   8           HE1      PHE   8  13.323   0.070   4.850
   73    HE2  PHE   8           HE2      PHE   8  15.680   1.107   8.221
   74    HZ   PHE   8           HZ       PHE   8  13.853  -0.191   7.228
   75    H    ARG   9           HN       ARG   9  13.552   4.838   4.334
   76    HA   ARG   9           HA       ARG   9  13.207   4.628   1.549
   77    HB2  ARG   9           HB2      ARG   9  11.387   4.224   3.334
   78    HB3  ARG   9           HB1      ARG   9  11.306   6.012   3.512
   79    HG2  ARG   9           HG2      ARG   9   9.940   6.165   1.740
   80    HG3  ARG   9           HG1      ARG   9  11.174   5.383   0.679
   81    HD2  ARG   9           HD2      ARG   9  10.325   3.111   1.415
   82    HD3  ARG   9           HD1      ARG   9   9.035   3.937   2.398
   83    HE   ARG   9           HE       ARG   9   8.951   4.947  -0.303
   84   HH11  ARG   9          HH11      ARG   9   8.343   2.020   1.633
   85   HH12  ARG   9          HH12      ARG   9   7.106   1.400   0.591
   86   HH21  ARG   9          HH21      ARG   9   7.268   4.104  -1.722
   87   HH22  ARG   9          HH22      ARG   9   6.485   2.606  -1.349
   88    H    ASN  10           HN       ASN  10  13.604   7.289   3.891
   89    HA   ASN  10           HA       ASN  10  13.030   9.395   2.168
   90    HB2  ASN  10           HB2      ASN  10  14.982   9.186   4.542
   91    HB3  ASN  10           HB1      ASN  10  14.623  10.736   3.700
   92   HD21  ASN  10          HD21      ASN  10  14.156  10.054   6.545
   93    H    PHE  11           HN       PHE  11  16.012   7.431   2.739
   94    HA   PHE  11           HA       PHE  11  17.606   9.060   1.064
   95    HB2  PHE  11           HB2      PHE  11  17.872   6.218   2.183
   96    HB3  PHE  11           HB1      PHE  11  18.962   6.749   0.840
   97    HD1  PHE  11           HD1      PHE  11  18.618   6.548   4.314
   98    HD2  PHE  11           HD2      PHE  11  20.050   9.122   1.252
   99    HE1  PHE  11           HE1      PHE  11  20.097   7.646   5.928
  100    HE2  PHE  11           HE2      PHE  11  21.526  10.215   2.865
  101    HZ   PHE  11           HZ       PHE  11  21.556   9.480   5.206
  102    H    ILE  12           HN       ILE  12  15.986   5.816   0.565
  103    HA   ILE  12           HA       ILE  12  14.791   6.389  -1.777
  104    HB   ILE  12           HB       ILE  12  16.812   6.853  -2.985
  105   HG12  ILE  12          HG12      ILE  12  17.053   4.853  -4.526
  106   HG13  ILE  12          HG11      ILE  12  15.966   3.936  -3.433
  107   HG21  ILE  12          HG21      ILE  12  17.914   4.762  -1.125
  108   HG22  ILE  12          HG22      ILE  12  18.706   6.208  -1.853
  109   HG23  ILE  12          HG23      ILE  12  18.557   4.686  -2.808
  110   HD11  ILE  12          HD11      ILE  12  14.755   6.542  -4.111
  111   HD12  ILE  12          HD12      ILE  12  14.117   4.876  -4.388
  112   HD13  ILE  12          HD13      ILE  12  15.207   5.640  -5.607
  113    H    LEU  13           HN       LEU  13  13.454   4.660  -2.205
  114    HA   LEU  13           HA       LEU  13  14.413   2.047  -1.378
  115    HB2  LEU  13           HB2      LEU  13  12.945   3.077   0.511
  116    HB3  LEU  13           HB1      LEU  13  11.592   3.027  -0.670
  117    HG   LEU  13           HG       LEU  13  13.146   0.478  -0.360
  118   HD11  LEU  13          HD11      LEU  13  12.808   1.636   2.036
  119   HD12  LEU  13          HD12      LEU  13  12.499  -0.126   1.800
  120   HD13  LEU  13          HD13      LEU  13  11.118   1.035   1.842
  121   HD21  LEU  13          HD21      LEU  13  10.760   1.202  -1.582
  122   HD22  LEU  13          HD22      LEU  13  10.166   0.510  -0.025
  123   HD23  LEU  13          HD23      LEU  13  11.210  -0.482  -1.112
  124    H    GLN  14           HN       GLN  14  13.970   0.570  -2.977
  125    HA   GLN  14           HA       GLN  14  11.676   1.112  -4.663
  126    HB2  GLN  14           HB2      GLN  14  13.062   0.586  -6.748
  127    HB3  GLN  14           HB1      GLN  14  13.405   2.195  -6.021
  128    HG2  GLN  14           HG2      GLN  14  15.430   1.234  -4.855
  129    HG3  GLN  14           HG1      GLN  14  15.106  -0.362  -5.643
  130   HE21  GLN  14          HE21      GLN  14  16.091  -0.714  -7.579
  131   HE22  GLN  14          HE22      GLN  14  16.673   0.508  -8.657
  132    H    ARG  15           HN       ARG  15  12.176  -0.696  -2.495
  133    HA   ARG  15           HA       ARG  15  13.162  -3.123  -3.445
  134    HB2  ARG  15           HB2      ARG  15  11.159  -2.563  -1.192
  135    HB3  ARG  15           HB1      ARG  15  11.879  -4.178  -1.517
  136    HG2  ARG  15           HG2      ARG  15  13.511  -1.653  -0.853
  137    HG3  ARG  15           HG1      ARG  15  13.002  -2.885   0.352
  138    HD2  ARG  15           HD2      ARG  15  14.282  -4.652  -0.966
  139    HD3  ARG  15           HD1      ARG  15  14.876  -3.334  -2.073
  140    HE   ARG  15           HE       ARG  15  15.402  -2.562   0.651
  141   HH11  ARG  15          HH11      ARG  15  16.343  -4.952  -1.817
  142   HH12  ARG  15          HH12      ARG  15  17.961  -5.149  -1.233
  143   HH21  ARG  15          HH21      ARG  15  17.604  -2.830   1.447
  144   HH22  ARG  15          HH22      ARG  15  18.689  -3.921   0.657
  145    H    LYS  16           HN       LYS  16   9.911  -1.612  -3.435
  146    HA   LYS  16           HA       LYS  16   8.827  -4.021  -4.605
  147    HB2  LYS  16           HB2      LYS  16   7.419  -2.696  -2.987
  148    HB3  LYS  16           HB1      LYS  16   7.554  -1.269  -4.073
  149    HG2  LYS  16           HG2      LYS  16   5.388  -2.313  -4.431
  150    HG3  LYS  16           HG1      LYS  16   6.397  -2.576  -5.892
  151    HD2  LYS  16           HD2      LYS  16   6.899  -4.895  -5.169
  152    HD3  LYS  16           HD1      LYS  16   5.999  -4.639  -3.635
  153    HE2  LYS  16           HE2      LYS  16   3.873  -4.301  -4.935
  154    HE3  LYS  16           HE1      LYS  16   4.785  -4.558  -6.482
  155    HZ1  LYS  16           HZ1      LYS  16   5.330  -6.650  -4.667
  156    HZ2  LYS  16           HZ2      LYS  16   4.602  -6.704  -6.200
  157    HZ3  LYS  16           HZ3      LYS  16   3.650  -6.455  -4.815
  158    H    LYS  17           HN       LYS  17   9.827  -4.248  -6.630
  159    HA   LYS  17           HA       LYS  17   8.950  -2.242  -8.540
  160    HB2  LYS  17           HB2      LYS  17  11.156  -2.080  -9.644
  161    HB3  LYS  17           HB1      LYS  17  11.294  -1.522  -7.941
  162    HG2  LYS  17           HG2      LYS  17  12.184  -3.774  -7.279
  163    HG3  LYS  17           HG1      LYS  17  12.078  -4.313  -8.990
  164    HD2  LYS  17           HD2      LYS  17  13.693  -2.545  -9.669
  165    HD3  LYS  17           HD1      LYS  17  13.760  -1.935  -7.980
  166    HE2  LYS  17           HE2      LYS  17  15.743  -3.357  -8.447
  167    HE3  LYS  17           HE1      LYS  17  14.677  -4.193  -7.241
  168    HZ1  LYS  17           HZ1      LYS  17  15.626  -5.280  -9.492
  169    HZ2  LYS  17           HZ2      LYS  17  14.090  -4.776 -10.013
  170    HZ3  LYS  17           HZ3      LYS  17  14.236  -5.805  -8.670
  Start of MODEL    8
    1    H1   GLU   1           HT1      GLU   1   0.882  -0.632   8.363
    2    H2   GLU   1           HT2      GLU   1   1.802  -0.474   9.781
    3    H3   GLU   1           HT3      GLU   1   2.461  -1.254   8.424
    4    HA   GLU   1           HA       GLU   1   1.775   1.115   7.402
    5    HB2  GLU   1           HB2      GLU   1   2.737   1.465  10.295
    6    HB3  GLU   1           HB1      GLU   1   2.874   2.774   9.067
    7    HG2  GLU   1           HG2      GLU   1   0.421   2.863   8.785
    8    HG3  GLU   1           HG1      GLU   1   0.205   1.424   9.858
    9    H    MET   2           HN       MET   2   4.303  -0.353   9.546
   10    HA   MET   2           HA       MET   2   6.470  -0.676   9.241
   11    HB2  MET   2           HB2      MET   2   5.763  -0.523   6.253
   12    HB3  MET   2           HB1      MET   2   7.387  -0.976   6.883
   13    HG2  MET   2           HG2      MET   2   6.448  -2.937   8.040
   14    HG3  MET   2           HG1      MET   2   4.785  -2.467   7.563
   15    HE1  MET   2           HE1      MET   2   8.221  -4.278   5.105
   16    HE2  MET   2           HE2      MET   2   8.207  -3.594   6.766
   17    HE3  MET   2           HE3      MET   2   8.267  -2.497   5.344
   18    H    ARG   3           HN       ARG   3   6.059   1.788  10.104
   19    HA   ARG   3           HA       ARG   3   6.917   3.778   8.270
   20    HB2  ARG   3           HB2      ARG   3   5.626   4.408  10.355
   21    HB3  ARG   3           HB1      ARG   3   7.037   3.871  11.342
   22    HG2  ARG   3           HG2      ARG   3   8.457   5.623  10.442
   23    HG3  ARG   3           HG1      ARG   3   7.257   6.047   9.172
   24    HD2  ARG   3           HD2      ARG   3   7.187   7.734  11.007
   25    HD3  ARG   3           HD1      ARG   3   5.642   6.774  11.035
   26    HE   ARG   3           HE       ARG   3   7.620   5.528  12.754
   27   HH11  ARG   3          HH11      ARG   3   5.466   8.347  12.445
   28   HH12  ARG   3          HH12      ARG   3   5.247   8.562  14.150
   29   HH21  ARG   3          HH21      ARG   3   7.325   5.819  15.074
   30   HH22  ARG   3          HH22      ARG   3   6.324   7.099  15.670
   31    H    LEU   4           HN       LEU   4   8.548   1.237   9.932
   32    HA   LEU   4           HA       LEU   4  10.952   2.489  10.502
   33    HB2  LEU   4           HB2      LEU   4  10.492   0.119  11.183
   34    HB3  LEU   4           HB1      LEU   4  10.528  -0.370   9.451
   35    HG   LEU   4           HG       LEU   4  12.884   0.347   9.259
   36   HD11  LEU   4          HD11      LEU   4  14.164   0.922  11.411
   37   HD12  LEU   4          HD12      LEU   4  12.564   1.138  12.219
   38   HD13  LEU   4          HD13      LEU   4  13.020   2.192  10.824
   39   HD21  LEU   4          HD21      LEU   4  12.704  -1.446  11.744
   40   HD22  LEU   4          HD22      LEU   4  13.869  -1.520  10.367
   41   HD23  LEU   4          HD23      LEU   4  12.148  -2.006  10.120
   42    H    SER   5           HN       SER   5   9.588   1.238   7.400
   43    HA   SER   5           HA       SER   5  12.031   1.816   6.015
   44    HB2  SER   5           HB2      SER   5   9.158   1.319   4.999
   45    HB3  SER   5           HB1      SER   5  10.582   1.580   3.912
   46    HG   SER   5           HG       SER   5  10.068  -0.623   4.337
   47    H    LYS   6           HN       LYS   6  12.140   3.984   7.178
   48    HA   LYS   6           HA       LYS   6  10.757   5.973   5.539
   49    HB2  LYS   6           HB2      LYS   6   9.538   6.166   7.620
   50    HB3  LYS   6           HB1      LYS   6  11.021   5.785   8.573
   51    HG2  LYS   6           HG2      LYS   6  10.227   8.218   8.692
   52    HG3  LYS   6           HG1      LYS   6  11.944   7.987   8.232
   53    HD2  LYS   6           HD2      LYS   6  11.050   8.125   5.751
   54    HD3  LYS   6           HD1      LYS   6   9.575   8.832   6.488
   55    HE2  LYS   6           HE2      LYS   6  10.659  10.850   6.349
   56    HE3  LYS   6           HE1      LYS   6  11.679  10.276   7.728
   57    H    PHE   7           HN       PHE   7  13.165   5.408   8.093
   58    HA   PHE   7           HA       PHE   7  14.719   7.585   7.661
   59    HB2  PHE   7           HB2      PHE   7  15.566   4.749   8.365
   60    HB3  PHE   7           HB1      PHE   7  16.482   6.249   8.775
   61    HD1  PHE   7           HD1      PHE   7  14.021   3.905   9.706
   62    HD2  PHE   7           HD2      PHE   7  15.305   7.912  10.274
   63    HE1  PHE   7           HE1      PHE   7  12.739   4.021  11.776
   64    HE2  PHE   7           HE2      PHE   7  14.012   8.021  12.348
   65    HZ   PHE   7           HZ       PHE   7  12.745   6.064  13.058
   66    H    PHE   8           HN       PHE   8  14.853   4.345   5.964
   67    HA   PHE   8           HA       PHE   8  16.922   5.536   4.335
   68    HB2  PHE   8           HB2      PHE   8  16.959   3.140   3.249
   69    HB3  PHE   8           HB1      PHE   8  17.730   3.393   4.859
   70    HD1  PHE   8           HD1      PHE   8  14.895   1.932   3.060
   71    HD2  PHE   8           HD2      PHE   8  16.740   2.549   6.833
   72    HE1  PHE   8           HE1      PHE   8  13.477   0.205   4.044
   73    HE2  PHE   8           HE2      PHE   8  15.326   0.828   7.808
   74    HZ   PHE   8           HZ       PHE   8  13.691  -0.356   6.419
   75    H    ARG   9           HN       ARG   9  13.507   4.826   4.311
   76    HA   ARG   9           HA       ARG   9  13.254   4.524   1.537
   77    HB2  ARG   9           HB2      ARG   9  11.392   4.002   3.121
   78    HB3  ARG   9           HB1      ARG   9  11.274   5.753   3.519
   79    HG2  ARG   9           HG2      ARG   9  10.078   6.212   1.662
   80    HG3  ARG   9           HG1      ARG   9  11.197   5.276   0.594
   81    HD2  ARG   9           HD2      ARG   9  10.078   3.148   1.294
   82    HD3  ARG   9           HD1      ARG   9   8.938   4.091   2.351
   83    HE   ARG   9           HE       ARG   9   8.855   5.191  -0.310
   84   HH11  ARG   9          HH11      ARG   9   8.009   2.270   1.542
   85   HH12  ARG   9          HH12      ARG   9   6.681   1.822   0.526
   86   HH21  ARG   9          HH21      ARG   9   7.048   4.584  -1.694
   87   HH22  ARG   9          HH22      ARG   9   6.125   3.161  -1.347
   88    H    ASN  10           HN       ASN  10  13.395   7.342   3.761
   89    HA   ASN  10           HA       ASN  10  12.712   9.257   1.855
   90    HB2  ASN  10           HB2      ASN  10  14.550   9.436   4.316
   91    HB3  ASN  10           HB1      ASN  10  14.068  10.867   3.333
   92   HD21  ASN  10          HD21      ASN  10  13.484   9.932   6.243
   93    H    PHE  11           HN       PHE  11  15.832   7.615   2.667
   94    HA   PHE  11           HA       PHE  11  17.349   9.268   0.957
   95    HB2  PHE  11           HB2      PHE  11  17.776   6.487   2.174
   96    HB3  PHE  11           HB1      PHE  11  18.867   7.056   0.846
   97    HD1  PHE  11           HD1      PHE  11  18.416   6.944   4.318
   98    HD2  PHE  11           HD2      PHE  11  19.790   9.494   1.210
   99    HE1  PHE  11           HE1      PHE  11  19.772   8.187   5.934
  100    HE2  PHE  11           HE2      PHE  11  21.141  10.734   2.826
  101    HZ   PHE  11           HZ       PHE  11  21.138  10.084   5.192
  102    H    ILE  12           HN       ILE  12  15.893   5.941   0.532
  103    HA   ILE  12           HA       ILE  12  14.775   6.406  -1.878
  104    HB   ILE  12           HB       ILE  12  16.978   6.810  -2.880
  105   HG12  ILE  12          HG12      ILE  12  16.059   3.983  -3.602
  106   HG13  ILE  12          HG11      ILE  12  15.164   5.472  -4.076
  107   HG21  ILE  12          HG21      ILE  12  18.107   5.369  -0.946
  108   HG22  ILE  12          HG22      ILE  12  18.855   5.381  -2.586
  109   HG23  ILE  12          HG23      ILE  12  17.842   3.982  -2.068
  110   HD11  ILE  12          HD11      ILE  12  16.491   5.433  -5.937
  111   HD12  ILE  12          HD12      ILE  12  17.698   4.332  -5.170
  112   HD13  ILE  12          HD13      ILE  12  17.763   6.106  -4.850
  113    H    LEU  13           HN       LEU  13  13.499   4.635  -2.355
  114    HA   LEU  13           HA       LEU  13  14.376   2.099  -1.206
  115    HB2  LEU  13           HB2      LEU  13  12.602   3.162   0.316
  116    HB3  LEU  13           HB1      LEU  13  11.483   3.134  -1.089
  117    HG   LEU  13           HG       LEU  13  12.811   0.521  -0.571
  118   HD11  LEU  13          HD11      LEU  13  12.293   1.737   1.800
  119   HD12  LEU  13          HD12      LEU  13  12.033  -0.029   1.535
  120   HD13  LEU  13          HD13      LEU  13  10.637   1.111   1.454
  121   HD21  LEU  13          HD21      LEU  13  10.603   1.385  -1.993
  122   HD22  LEU  13          HD22      LEU  13   9.817   0.776  -0.488
  123   HD23  LEU  13          HD23      LEU  13  10.872  -0.317  -1.460
  124    H    GLN  14           HN       GLN  14  14.430   0.579  -2.805
  125    HA   GLN  14           HA       GLN  14  12.545   0.974  -5.022
  126    HB2  GLN  14           HB2      GLN  14  15.429  -0.097  -5.196
  127    HB3  GLN  14           HB1      GLN  14  14.259  -0.019  -6.561
  128    HG2  GLN  14           HG2      GLN  14  15.307   2.438  -5.015
  129    HG3  GLN  14           HG1      GLN  14  15.959   1.857  -6.600
  130   HE21  GLN  14          HE21      GLN  14  13.908   4.126  -5.293
  131   HE22  GLN  14          HE22      GLN  14  12.775   4.307  -6.587
  132    H    ARG  15           HN       ARG  15  12.861  -0.528  -2.319
  133    HA   ARG  15           HA       ARG  15  13.286  -3.194  -2.974
  134    HB2  ARG  15           HB2      ARG  15  11.655  -1.979  -0.683
  135    HB3  ARG  15           HB1      ARG  15  12.024  -3.732  -0.828
  136    HG2  ARG  15           HG2      ARG  15  14.151  -1.512  -0.645
  137    HG3  ARG  15           HG1      ARG  15  13.554  -2.477   0.749
  138    HD2  ARG  15           HD2      ARG  15  14.348  -4.598  -0.429
  139    HD3  ARG  15           HD1      ARG  15  15.059  -3.551  -1.736
  140    HE   ARG  15           HE       ARG  15  15.985  -2.606   0.824
  141   HH11  ARG  15          HH11      ARG  15  16.230  -5.368  -1.411
  142   HH12  ARG  15          HH12      ARG  15  17.838  -5.806  -0.940
  143   HH21  ARG  15          HH21      ARG  15  18.173  -3.201   1.466
  144   HH22  ARG  15          HH22      ARG  15  18.961  -4.553   0.726
  145    H    LYS  16           HN       LYS  16  10.370  -1.110  -2.975
  146    HA   LYS  16           HA       LYS  16   8.784  -3.416  -3.714
  147    HB2  LYS  16           HB2      LYS  16   7.783  -1.677  -2.182
  148    HB3  LYS  16           HB1      LYS  16   8.040  -0.440  -3.458
  149    HG2  LYS  16           HG2      LYS  16   5.708  -1.125  -3.501
  150    HG3  LYS  16           HG1      LYS  16   6.510  -1.735  -4.986
  151    HD2  LYS  16           HD2      LYS  16   6.699  -4.001  -3.992
  152    HD3  LYS  16           HD1      LYS  16   6.006  -3.406  -2.445
  153    HE2  LYS  16           HE2      LYS  16   3.847  -2.866  -3.615
  154    HE3  LYS  16           HE1      LYS  16   4.549  -3.467  -5.175
  155    HZ1  LYS  16           HZ1      LYS  16   4.934  -5.389  -3.155
  156    HZ2  LYS  16           HZ2      LYS  16   4.024  -5.491  -4.585
  157    HZ3  LYS  16           HZ3      LYS  16   3.304  -4.915  -3.159
  158    H    LYS  17           HN       LYS  17   9.567  -4.042  -5.755
  159    HA   LYS  17           HA       LYS  17   8.918  -2.102  -7.838
  160    HB2  LYS  17           HB2      LYS  17  11.637  -3.202  -7.230
  161    HB3  LYS  17           HB1      LYS  17  11.115  -3.454  -8.933
  162    HG2  LYS  17           HG2      LYS  17  10.789  -0.696  -7.672
  163    HG3  LYS  17           HG1      LYS  17  12.422  -1.238  -8.192
  164    HD2  LYS  17           HD2      LYS  17  11.610  -1.620 -10.496
  165    HD3  LYS  17           HD1      LYS  17   9.926  -1.237 -10.002
  166    HE2  LYS  17           HE2      LYS  17  10.889   0.733 -11.126
  167    HE3  LYS  17           HE1      LYS  17  10.723   1.118  -9.362
  168    HZ1  LYS  17           HZ1      LYS  17  12.964   1.349 -10.864
  169    HZ2  LYS  17           HZ2      LYS  17  13.230  -0.107 -10.034
  170    HZ3  LYS  17           HZ3      LYS  17  12.894   1.318  -9.163
  Start of MODEL    9
    1    H1   GLU   1           HT1      GLU   1   1.551   3.522   8.304
    2    H2   GLU   1           HT2      GLU   1   2.042   2.052   7.611
    3    H3   GLU   1           HT3      GLU   1   3.201   3.124   8.239
    4    HA   GLU   1           HA       GLU   1   1.718   2.801  10.380
    5    HB2  GLU   1           HB2      GLU   1   0.279   1.134   9.060
    6    HB3  GLU   1           HB1      GLU   1   1.722   0.064   8.984
    7    HG2  GLU   1           HG2      GLU   1   1.774  -0.092  11.484
    8    HG3  GLU   1           HG1      GLU   1   0.354   1.025  11.591
    9    H    MET   2           HN       MET   2   4.125   1.132   8.283
   10    HA   MET   2           HA       MET   2   5.646   0.490  10.692
   11    HB2  MET   2           HB2      MET   2   5.320  -1.216   8.739
   12    HB3  MET   2           HB1      MET   2   6.388  -0.138   7.778
   13    HG2  MET   2           HG2      MET   2   8.228  -0.448   9.380
   14    HG3  MET   2           HG1      MET   2   7.171  -1.406  10.467
   15    HE1  MET   2           HE1      MET   2  10.169  -2.922   9.160
   16    HE2  MET   2           HE2      MET   2   9.151  -4.228   9.858
   17    HE3  MET   2           HE3      MET   2   9.119  -2.584  10.580
   18    H    ARG   3           HN       ARG   3   6.735   2.293  11.426
   19    HA   ARG   3           HA       ARG   3   7.571   4.274   9.541
   20    HB2  ARG   3           HB2      ARG   3   6.996   4.944  11.910
   21    HB3  ARG   3           HB1      ARG   3   8.408   3.984  12.487
   22    HG2  ARG   3           HG2      ARG   3   9.985   5.434  11.326
   23    HG3  ARG   3           HG1      ARG   3   8.662   6.287  10.454
   24    HD2  ARG   3           HD2      ARG   3   7.835   7.255  12.621
   25    HD3  ARG   3           HD1      ARG   3   9.134   6.354  13.525
   26    HE   ARG   3           HE       ARG   3  10.465   7.821  11.501
   27   HH11  ARG   3          HH11      ARG   3   8.322   8.441  14.277
   28   HH12  ARG   3          HH12      ARG   3   8.982  10.000  14.637
   29   HH21  ARG   3          HH21      ARG   3  11.364   9.942  11.988
   30   HH22  ARG   3          HH22      ARG   3  10.743  10.869  13.311
   31    H    LEU   4           HN       LEU   4   8.884   1.269  10.716
   32    HA   LEU   4           HA       LEU   4  11.577   1.856  10.702
   33    HB2  LEU   4           HB2      LEU   4  10.130  -0.486  10.974
   34    HB3  LEU   4           HB1      LEU   4  10.811  -0.709   9.326
   35    HG   LEU   4           HG       LEU   4  12.313  -0.282  11.959
   36   HD11  LEU   4          HD11      LEU   4  12.476  -2.540   9.866
   37   HD12  LEU   4          HD12      LEU   4  11.542  -2.610  11.409
   38   HD13  LEU   4          HD13      LEU   4  13.340  -2.464  11.449
   39   HD21  LEU   4          HD21      LEU   4  13.429   1.141  10.268
   40   HD22  LEU   4          HD22      LEU   4  13.489  -0.240   9.106
   41   HD23  LEU   4          HD23      LEU   4  14.446  -0.306  10.636
   42    H    SER   5           HN       SER   5   9.264   1.439   7.974
   43    HA   SER   5           HA       SER   5  11.422   1.504   6.068
   44    HB2  SER   5           HB2      SER   5   8.370   1.809   5.729
   45    HB3  SER   5           HB1      SER   5   9.547   1.819   4.353
   46    HG   SER   5           HG       SER   5   8.526  -0.226   4.901
   47    H    LYS   6           HN       LYS   6  12.253   3.479   7.387
   48    HA   LYS   6           HA       LYS   6  11.123   5.864   6.119
   49    HB2  LYS   6           HB2      LYS   6  10.428   6.062   8.461
   50    HB3  LYS   6           HB1      LYS   6  12.044   5.477   9.009
   51    HG2  LYS   6           HG2      LYS   6  11.617   8.011   9.251
   52    HG3  LYS   6           HG1      LYS   6  13.128   7.543   8.402
   53    HD2  LYS   6           HD2      LYS   6  11.739   7.790   6.198
   54    HD3  LYS   6           HD1      LYS   6  10.522   8.636   7.206
   55    HE2  LYS   6           HE2      LYS   6  11.712  10.568   6.979
   56    HE3  LYS   6           HE1      LYS   6  13.112   9.799   7.828
   57    H    PHE   7           HN       PHE   7  13.828   4.429   7.952
   58    HA   PHE   7           HA       PHE   7  15.723   6.273   7.399
   59    HB2  PHE   7           HB2      PHE   7  15.938   3.246   7.479
   60    HB3  PHE   7           HB1      PHE   7  17.316   4.383   7.738
   61    HD1  PHE   7           HD1      PHE   7  14.585   2.615   9.120
   62    HD2  PHE   7           HD2      PHE   7  17.151   5.946   9.697
   63    HE1  PHE   7           HE1      PHE   7  13.980   2.670  11.483
   64    HE2  PHE   7           HE2      PHE   7  16.537   5.995  12.066
   65    HZ   PHE   7           HZ       PHE   7  14.952   4.349  12.910
   66    H    PHE   8           HN       PHE   8  14.669   3.481   5.255
   67    HA   PHE   8           HA       PHE   8  16.571   4.520   3.348
   68    HB2  PHE   8           HB2      PHE   8  15.552   2.539   1.882
   69    HB3  PHE   8           HB1      PHE   8  16.806   2.217   3.134
   70    HD1  PHE   8           HD1      PHE   8  13.263   1.908   2.256
   71    HD2  PHE   8           HD2      PHE   8  16.257   1.150   5.166
   72    HE1  PHE   8           HE1      PHE   8  11.773   0.338   3.387
   73    HE2  PHE   8           HE2      PHE   8  14.770  -0.410   6.293
   74    HZ   PHE   8           HZ       PHE   8  12.526  -0.830   5.410
   75    H    ARG   9           HN       ARG   9  13.233   4.788   4.188
   76    HA   ARG   9           HA       ARG   9  12.251   5.289   1.592
   77    HB2  ARG   9           HB2      ARG   9  10.818   4.863   3.679
   78    HB3  ARG   9           HB1      ARG   9  11.243   6.533   4.199
   79    HG2  ARG   9           HG2      ARG   9   9.760   7.474   2.783
   80    HG3  ARG   9           HG1      ARG   9  10.301   6.459   1.393
   81    HD2  ARG   9           HD2      ARG   9   8.906   4.559   2.239
   82    HD3  ARG   9           HD1      ARG   9   8.343   5.588   3.629
   83    HE   ARG   9           HE       ARG   9   7.877   6.980   1.130
   84   HH11  ARG   9          HH11      ARG   9   6.780   4.222   3.098
   85   HH12  ARG   9          HH12      ARG   9   5.151   4.250   2.509
   86   HH21  ARG   9          HH21      ARG   9   5.663   7.020   0.328
   87   HH22  ARG   9          HH22      ARG   9   4.506   5.869   0.905
   88    H    ASN  10           HN       ASN  10  13.950   7.153   4.111
   89    HA   ASN  10           HA       ASN  10  13.501   9.713   3.117
   90    HB2  ASN  10           HB2      ASN  10  16.007   8.520   4.466
   91    HB3  ASN  10           HB1      ASN  10  15.788  10.276   4.148
   92   HD21  ASN  10          HD21      ASN  10  12.690   9.622   4.822
   93    H    PHE  11           HN       PHE  11  15.799   7.092   2.229
   94    HA   PHE  11           HA       PHE  11  17.166   8.731   0.340
   95    HB2  PHE  11           HB2      PHE  11  17.095   5.712   0.929
   96    HB3  PHE  11           HB1      PHE  11  17.883   6.338  -0.576
   97    HD1  PHE  11           HD1      PHE  11  18.340   5.581   2.851
   98    HD2  PHE  11           HD2      PHE  11  19.605   8.228  -0.223
   99    HE1  PHE  11           HE1      PHE  11  20.389   6.061   4.104
  100    HE2  PHE  11           HE2      PHE  11  21.647   8.704   1.030
  101    HZ   PHE  11           HZ       PHE  11  22.049   7.622   3.195
  102    H    ILE  12           HN       ILE  12  15.155   5.719  -0.157
  103    HA   ILE  12           HA       ILE  12  13.317   6.983  -1.788
  104    HB   ILE  12           HB       ILE  12  15.115   7.202  -3.439
  105   HG12  ILE  12          HG12      ILE  12  13.332   4.828  -4.197
  106   HG13  ILE  12          HG11      ILE  12  12.742   6.525  -4.099
  107   HG21  ILE  12          HG21      ILE  12  16.506   5.359  -4.132
  108   HG22  ILE  12          HG22      ILE  12  15.457   4.144  -3.313
  109   HG23  ILE  12          HG23      ILE  12  16.474   5.264  -2.332
  110   HD11  ILE  12          HD11      ILE  12  14.311   5.197  -6.224
  111   HD12  ILE  12          HD12      ILE  12  15.100   6.715  -5.653
  112   HD13  ILE  12          HD13      ILE  12  13.402   6.754  -6.262
  113    H    LEU  13           HN       LEU  13  11.576   5.594  -2.033
  114    HA   LEU  13           HA       LEU  13  12.139   2.813  -1.295
  115    HB2  LEU  13           HB2      LEU  13  10.733   4.006   0.453
  116    HB3  LEU  13           HB1      LEU  13   9.551   4.421  -0.838
  117    HG   LEU  13           HG       LEU  13   9.204   1.975  -1.284
  118   HD11  LEU  13          HD11      LEU  13  11.398   1.735   0.765
  119   HD12  LEU  13          HD12      LEU  13  10.953   0.649  -0.607
  120   HD13  LEU  13          HD13      LEU  13  10.027   0.575   0.940
  121   HD21  LEU  13          HD21      LEU  13   8.680   2.431   1.694
  122   HD22  LEU  13          HD22      LEU  13   7.627   1.669   0.442
  123   HD23  LEU  13          HD23      LEU  13   7.868   3.458   0.452
  124    H    GLN  14           HN       GLN  14  11.879   1.488  -3.052
  125    HA   GLN  14           HA       GLN  14   9.794   2.267  -4.934
  126    HB2  GLN  14           HB2      GLN  14  12.164   2.837  -5.813
  127    HB3  GLN  14           HB1      GLN  14  12.488   1.067  -5.765
  128    HG2  GLN  14           HG2      GLN  14  10.642   0.641  -7.364
  129    HG3  GLN  14           HG1      GLN  14  10.207   2.396  -7.364
  130   HE21  GLN  14          HE21      GLN  14  10.726   1.604  -9.819
  131   HE22  GLN  14          HE22      GLN  14  12.321   2.009 -10.357
  132    H    ARG  15           HN       ARG  15  11.894  -0.158  -3.401
  133    HA   ARG  15           HA       ARG  15  11.596  -2.288  -2.971
  134    HB2  ARG  15           HB2      ARG  15   8.664  -1.934  -3.822
  135    HB3  ARG  15           HB1      ARG  15   9.341  -3.359  -2.963
  136    HG2  ARG  15           HG2      ARG  15   9.325  -0.492  -1.839
  137    HG3  ARG  15           HG1      ARG  15   8.086  -1.741  -1.474
  138    HD2  ARG  15           HD2      ARG  15  11.113  -2.079  -0.887
  139    HD3  ARG  15           HD1      ARG  15   9.864  -1.566   0.332
  140    HE   ARG  15           HE       ARG  15   8.901  -3.962  -0.858
  141   HH11  ARG  15          HH11      ARG  15  11.694  -2.810   1.029
  142   HH12  ARG  15          HH12      ARG  15  11.976  -4.321   1.825
  143   HH21  ARG  15          HH21      ARG  15   9.283  -6.017   0.225
  144   HH22  ARG  15          HH22      ARG  15  10.581  -6.176   1.359
  145    H    LYS  16           HN       LYS  16  12.111  -1.126  -5.800
  146    HA   LYS  16           HA       LYS  16  11.133  -3.376  -7.349
  147    HB2  LYS  16           HB2      LYS  16  11.130  -1.103  -8.420
  148    HB3  LYS  16           HB1      LYS  16  12.901  -0.983  -8.135
  149    HG2  LYS  16           HG2      LYS  16  12.524  -1.593 -10.460
  150    HG3  LYS  16           HG1      LYS  16  13.248  -2.998  -9.608
  151    HD2  LYS  16           HD2      LYS  16  11.023  -4.078  -9.425
  152    HD3  LYS  16           HD1      LYS  16  10.236  -2.640 -10.164
  153    HE2  LYS  16           HE2      LYS  16  11.503  -3.039 -12.299
  154    HE3  LYS  16           HE1      LYS  16  12.299  -4.486 -11.550
  155    HZ1  LYS  16           HZ1      LYS  16   9.475  -4.572 -11.239
  156    HZ2  LYS  16           HZ2      LYS  16  10.530  -5.679 -11.978
  157    HZ3  LYS  16           HZ3      LYS  16   9.897  -4.383 -12.873
  158    H    LYS  17           HN       LYS  17  12.243  -5.207  -6.628
  159    HA   LYS  17           HA       LYS  17  15.113  -4.954  -6.325
  160    HB2  LYS  17           HB2      LYS  17  13.800  -6.353  -4.678
  161    HB3  LYS  17           HB1      LYS  17  13.270  -7.401  -6.038
  162    HG2  LYS  17           HG2      LYS  17  15.638  -8.033  -6.495
  163    HG3  LYS  17           HG1      LYS  17  16.189  -6.963  -5.159
  164    HD2  LYS  17           HD2      LYS  17  14.884  -8.335  -3.522
  165    HD3  LYS  17           HD1      LYS  17  14.324  -9.399  -4.858
  166    HE2  LYS  17           HE2      LYS  17  16.696 -10.082  -5.322
  167    HE3  LYS  17           HE1      LYS  17  17.266  -8.998  -3.985
  168    HZ1  LYS  17           HZ1      LYS  17  16.758 -10.532  -2.527
  169    HZ2  LYS  17           HZ2      LYS  17  16.443 -11.611  -3.800
  170    HZ3  LYS  17           HZ3      LYS  17  15.176 -10.714  -3.113
  Start of MODEL   10
    1    H1   GLU   1           HT1      GLU   1   1.124  -0.519   6.905
    2    H2   GLU   1           HT2      GLU   1   1.720  -1.067   8.398
    3    H3   GLU   1           HT3      GLU   1   2.738  -1.032   7.038
    4    HA   GLU   1           HA       GLU   1   2.825   1.271   6.998
    5    HB2  GLU   1           HB2      GLU   1   0.372   1.610   7.488
    6    HB3  GLU   1           HB1      GLU   1   0.692   1.207   9.212
    7    HG2  GLU   1           HG2      GLU   1   2.181   3.208   9.436
    8    HG3  GLU   1           HG1      GLU   1   1.924   3.608   7.690
    9    H    MET   2           HN       MET   2   4.972   0.920   7.715
   10    HA   MET   2           HA       MET   2   5.216   1.023  10.634
   11    HB2  MET   2           HB2      MET   2   6.984  -0.561   8.674
   12    HB3  MET   2           HB1      MET   2   7.354  -0.314  10.417
   13    HG2  MET   2           HG2      MET   2   5.264  -1.513  11.047
   14    HG3  MET   2           HG1      MET   2   4.867  -1.747   9.315
   15    HE1  MET   2           HE1      MET   2   4.478  -4.195   9.730
   16    HE2  MET   2           HE2      MET   2   4.897  -3.998  11.468
   17    HE3  MET   2           HE3      MET   2   5.628  -5.334  10.513
   18    H    ARG   3           HN       ARG   3   6.893   2.414  11.389
   19    HA   ARG   3           HA       ARG   3   7.659   4.343   9.376
   20    HB2  ARG   3           HB2      ARG   3   6.981   5.027  11.783
   21    HB3  ARG   3           HB1      ARG   3   8.546   4.308  12.313
   22    HG2  ARG   3           HG2      ARG   3   9.822   5.898  10.948
   23    HG3  ARG   3           HG1      ARG   3   8.322   6.527  10.183
   24    HD2  ARG   3           HD2      ARG   3   8.968   6.738  13.211
   25    HD3  ARG   3           HD1      ARG   3   9.202   8.069  11.991
   26    HE   ARG   3           HE       ARG   3   6.508   7.158  11.743
   27   HH11  ARG   3          HH11      ARG   3   8.671   8.672  14.135
   28   HH12  ARG   3          HH12      ARG   3   7.418   9.558  14.937
   29   HH21  ARG   3          HH21      ARG   3   4.803   8.363  12.833
   30   HH22  ARG   3          HH22      ARG   3   5.180   9.377  14.184
   31    H    LEU   4           HN       LEU   4   8.885   1.389  10.598
   32    HA   LEU   4           HA       LEU   4  11.593   1.944  10.738
   33    HB2  LEU   4           HB2      LEU   4  10.132  -0.365  11.035
   34    HB3  LEU   4           HB1      LEU   4  10.785  -0.637   9.382
   35    HG   LEU   4           HG       LEU   4  12.226  -1.664  11.087
   36   HD11  LEU   4          HD11      LEU   4  14.343  -0.933  10.257
   37   HD12  LEU   4          HD12      LEU   4  13.775   0.765  10.027
   38   HD13  LEU   4          HD13      LEU   4  13.179  -0.541   8.934
   39   HD21  LEU   4          HD21      LEU   4  13.327  -0.489  12.866
   40   HD22  LEU   4          HD22      LEU   4  11.612   0.071  12.916
   41   HD23  LEU   4          HD23      LEU   4  12.884   1.127  12.195
   42    H    SER   5           HN       SER   5   9.400   1.464   7.925
   43    HA   SER   5           HA       SER   5  11.636   1.503   6.115
   44    HB2  SER   5           HB2      SER   5   8.603   1.784   5.623
   45    HB3  SER   5           HB1      SER   5   9.846   1.735   4.310
   46    HG   SER   5           HG       SER   5   8.864  -0.286   4.788
   47    H    LYS   6           HN       LYS   6  12.385   3.523   7.416
   48    HA   LYS   6           HA       LYS   6  11.267   5.861   6.045
   49    HB2  LYS   6           HB2      LYS   6  10.554   6.117   8.376
   50    HB3  LYS   6           HB1      LYS   6  12.167   5.549   8.952
   51    HG2  LYS   6           HG2      LYS   6  11.729   8.085   9.137
   52    HG3  LYS   6           HG1      LYS   6  13.253   7.602   8.316
   53    HD2  LYS   6           HD2      LYS   6  11.904   7.810   6.089
   54    HD3  LYS   6           HD1      LYS   6  10.655   8.655   7.060
   55    HE2  LYS   6           HE2      LYS   6  11.828  10.600   6.837
   56    HE3  LYS   6           HE1      LYS   6  13.224   9.857   7.715
   57    H    PHE   7           HN       PHE   7  13.973   4.467   7.911
   58    HA   PHE   7           HA       PHE   7  15.871   6.301   7.365
   59    HB2  PHE   7           HB2      PHE   7  16.093   3.273   7.405
   60    HB3  PHE   7           HB1      PHE   7  17.462   4.412   7.692
   61    HD1  PHE   7           HD1      PHE   7  14.805   2.547   9.042
   62    HD2  PHE   7           HD2      PHE   7  17.208   5.991   9.662
   63    HE1  PHE   7           HE1      PHE   7  14.196   2.544  11.399
   64    HE2  PHE   7           HE2      PHE   7  16.590   5.981  12.030
   65    HZ   PHE   7           HZ       PHE   7  15.085   4.254  12.854
   66    H    PHE   8           HN       PHE   8  14.837   3.513   5.203
   67    HA   PHE   8           HA       PHE   8  16.739   4.569   3.305
   68    HB2  PHE   8           HB2      PHE   8  15.775   2.581   1.832
   69    HB3  PHE   8           HB1      PHE   8  16.990   2.258   3.123
   70    HD1  PHE   8           HD1      PHE   8  13.474   1.948   2.136
   71    HD2  PHE   8           HD2      PHE   8  16.382   1.187   5.133
   72    HE1  PHE   8           HE1      PHE   8  11.952   0.377   3.223
   73    HE2  PHE   8           HE2      PHE   8  14.864  -0.376   6.213
   74    HZ   PHE   8           HZ       PHE   8  12.646  -0.796   5.263
   75    H    ARG   9           HN       ARG   9  13.431   4.896   4.149
   76    HA   ARG   9           HA       ARG   9  12.448   5.338   1.530
   77    HB2  ARG   9           HB2      ARG   9  11.010   4.888   3.621
   78    HB3  ARG   9           HB1      ARG   9  11.399   6.569   4.125
   79    HG2  ARG   9           HG2      ARG   9  10.350   6.204   1.317
   80    HG3  ARG   9           HG1      ARG   9   9.194   5.904   2.670
   81    HD2  ARG   9           HD2      ARG   9   9.664   8.172   3.601
   82    HD3  ARG   9           HD1      ARG   9  10.872   8.466   2.280
   83    HE   ARG   9           HE       ARG   9   7.901   8.394   1.985
   84   HH11  ARG   9          HH11      ARG   9  11.145   8.467   0.493
   85   HH12  ARG   9          HH12      ARG   9  10.589   9.067  -1.037
   86   HH21  ARG   9          HH21      ARG   9   7.158   9.205  -0.095
   87   HH22  ARG   9          HH22      ARG   9   8.288   9.491  -1.375
   88    H    ASN  10           HN       ASN  10  14.119   7.209   4.044
   89    HA   ASN  10           HA       ASN  10  13.667   9.756   3.021
   90    HB2  ASN  10           HB2      ASN  10  16.171   8.585   4.394
   91    HB3  ASN  10           HB1      ASN  10  15.945  10.337   4.060
   92   HD21  ASN  10          HD21      ASN  10  12.845   9.635   4.707
   93    H    PHE  11           HN       PHE  11  15.964   7.125   2.159
   94    HA   PHE  11           HA       PHE  11  17.325   8.748   0.248
   95    HB2  PHE  11           HB2      PHE  11  17.262   5.734   0.864
   96    HB3  PHE  11           HB1      PHE  11  18.062   6.357  -0.637
   97    HD1  PHE  11           HD1      PHE  11  18.483   5.627   2.804
   98    HD2  PHE  11           HD2      PHE  11  19.779   8.247  -0.280
   99    HE1  PHE  11           HE1      PHE  11  20.518   6.118   4.074
  100    HE2  PHE  11           HE2      PHE  11  21.808   8.736   0.989
  101    HZ   PHE  11           HZ       PHE  11  22.187   7.673   3.169
  102    H    ILE  12           HN       ILE  12  15.195   5.785  -0.123
  103    HA   ILE  12           HA       ILE  12  13.448   7.043  -1.856
  104    HB   ILE  12           HB       ILE  12  15.312   7.066  -3.472
  105   HG12  ILE  12          HG12      ILE  12  13.359   4.810  -4.162
  106   HG13  ILE  12          HG11      ILE  12  12.913   6.554  -4.164
  107   HG21  ILE  12          HG21      ILE  12  16.598   5.124  -4.021
  108   HG22  ILE  12          HG22      ILE  12  15.412   4.002  -3.259
  109   HG23  ILE  12          HG23      ILE  12  16.455   5.047  -2.226
  110   HD11  ILE  12          HD11      ILE  12  13.556   6.443  -6.370
  111   HD12  ILE  12          HD12      ILE  12  14.598   4.994  -6.103
  112   HD13  ILE  12          HD13      ILE  12  15.214   6.637  -5.683
  113    H    LEU  13           HN       LEU  13  11.652   5.723  -2.109
  114    HA   LEU  13           HA       LEU  13  12.037   2.971  -1.183
  115    HB2  LEU  13           HB2      LEU  13  10.769   4.339   0.520
  116    HB3  LEU  13           HB1      LEU  13   9.597   4.799  -0.763
  117    HG   LEU  13           HG       LEU  13   8.999   2.390  -1.069
  118   HD11  LEU  13          HD11      LEU  13   9.773   0.986   1.153
  119   HD12  LEU  13          HD12      LEU  13  11.230   2.027   0.936
  120   HD13  LEU  13          HD13      LEU  13  10.680   0.954  -0.407
  121   HD21  LEU  13          HD21      LEU  13   7.603   3.791   0.394
  122   HD22  LEU  13          HD22      LEU  13   8.700   3.493   1.795
  123   HD23  LEU  13          HD23      LEU  13   7.735   2.135   1.099
  124    H    GLN  14           HN       GLN  14  11.632   1.551  -2.820
  125    HA   GLN  14           HA       GLN  14   9.548   2.325  -4.716
  126    HB2  GLN  14           HB2      GLN  14  12.353   1.281  -5.380
  127    HB3  GLN  14           HB1      GLN  14  10.973   1.110  -6.521
  128    HG2  GLN  14           HG2      GLN  14  11.938   3.824  -5.398
  129    HG3  GLN  14           HG1      GLN  14  12.473   3.127  -6.980
  130   HE21  GLN  14          HE21      GLN  14  10.258   5.239  -5.601
  131   HE22  GLN  14          HE22      GLN  14   9.000   5.165  -6.787
  132    H    ARG  15           HN       ARG  15  11.582  -0.099  -3.091
  133    HA   ARG  15           HA       ARG  15  11.222  -2.197  -2.564
  134    HB2  ARG  15           HB2      ARG  15   8.272  -1.750  -3.307
  135    HB3  ARG  15           HB1      ARG  15   8.924  -3.159  -2.402
  136    HG2  ARG  15           HG2      ARG  15   9.057  -0.236  -1.439
  137    HG3  ARG  15           HG1      ARG  15   7.814  -1.430  -0.937
  138    HD2  ARG  15           HD2      ARG  15  10.860  -1.804  -0.493
  139    HD3  ARG  15           HD1      ARG  15   9.686  -1.206   0.760
  140    HE   ARG  15           HE       ARG  15   8.616  -3.636  -0.245
  141   HH11  ARG  15          HH11      ARG  15  11.544  -2.457   1.405
  142   HH12  ARG  15          HH12      ARG  15  11.851  -3.937   2.250
  143   HH21  ARG  15          HH21      ARG  15   9.032  -5.649   0.904
  144   HH22  ARG  15          HH22      ARG  15  10.397  -5.784   1.959
  145    H    LYS  16           HN       LYS  16  11.688  -1.179  -5.430
  146    HA   LYS  16           HA       LYS  16  10.395  -2.938  -7.161
  147    HB2  LYS  16           HB2      LYS  16  11.661  -0.911  -7.945
  148    HB3  LYS  16           HB1      LYS  16  13.189  -1.682  -7.400
  149    HG2  LYS  16           HG2      LYS  16  12.992  -1.952  -9.810
  150    HG3  LYS  16           HG1      LYS  16  12.794  -3.560  -9.035
  151    HD2  LYS  16           HD2      LYS  16  10.335  -3.423  -9.296
  152    HD3  LYS  16           HD1      LYS  16  10.471  -1.759  -9.962
  153    HE2  LYS  16           HE2      LYS  16  11.755  -2.646 -11.931
  154    HE3  LYS  16           HE1      LYS  16  11.625  -4.324 -11.254
  155    HZ1  LYS  16           HZ1      LYS  16   9.152  -2.801 -11.534
  156    HZ2  LYS  16           HZ2      LYS  16   9.473  -4.447 -11.792
  157    HZ3  LYS  16           HZ3      LYS  16   9.913  -3.303 -12.966
  158    H    LYS  17           HN       LYS  17  13.478  -3.159  -5.307
  159    HA   LYS  17           HA       LYS  17  13.702  -5.917  -6.244
  160    HB2  LYS  17           HB2      LYS  17  15.774  -4.480  -6.414
  161    HB3  LYS  17           HB1      LYS  17  15.678  -4.182  -4.643
  162    HG2  LYS  17           HG2      LYS  17  15.975  -6.613  -4.198
  163    HG3  LYS  17           HG1      LYS  17  16.028  -6.942  -5.965
  164    HD2  LYS  17           HD2      LYS  17  18.081  -5.546  -6.180
  165    HD3  LYS  17           HD1      LYS  17  18.011  -5.146  -4.430
  166    HE2  LYS  17           HE2      LYS  17  19.679  -6.946  -4.826
  167    HE3  LYS  17           HE1      LYS  17  18.280  -7.619  -3.891
  168    HZ1  LYS  17           HZ1      LYS  17  19.314  -8.616  -6.180
  169    HZ2  LYS  17           HZ2      LYS  17  17.947  -7.778  -6.741
  170    HZ3  LYS  17           HZ3      LYS  17  17.781  -8.967  -5.539
  Start of MODEL   11
    1    H1   GLU   1           HT1      GLU   1   3.902   0.227   5.137
    2    H2   GLU   1           HT2      GLU   1   3.253   1.204   6.367
    3    H3   GLU   1           HT3      GLU   1   2.217   0.383   5.299
    4    HA   GLU   1           HA       GLU   1   2.065  -1.075   6.939
    5    HB2  GLU   1           HB2      GLU   1   3.419  -2.157   5.034
    6    HB3  GLU   1           HB1      GLU   1   4.893  -1.840   6.014
    7    HG2  GLU   1           HG2      GLU   1   4.024  -3.287   7.856
    8    HG3  GLU   1           HG1      GLU   1   2.495  -3.570   6.930
    9    H    MET   2           HN       MET   2   5.255   0.603   7.077
   10    HA   MET   2           HA       MET   2   4.922   0.786   9.915
   11    HB2  MET   2           HB2      MET   2   7.154  -0.157  10.498
   12    HB3  MET   2           HB1      MET   2   6.095  -1.423   9.788
   13    HG2  MET   2           HG2      MET   2   7.193  -1.034   7.545
   14    HG3  MET   2           HG1      MET   2   8.299   0.142   8.319
   15    HE1  MET   2           HE1      MET   2   7.000  -3.250   7.786
   16    HE2  MET   2           HE2      MET   2   6.929  -3.552   9.557
   17    HE3  MET   2           HE3      MET   2   8.120  -4.436   8.542
   18    H    ARG   3           HN       ARG   3   6.484   2.375  10.830
   19    HA   ARG   3           HA       ARG   3   7.171   4.262   8.732
   20    HB2  ARG   3           HB2      ARG   3   6.052   5.128  10.838
   21    HB3  ARG   3           HB1      ARG   3   7.482   4.556  11.776
   22    HG2  ARG   3           HG2      ARG   3   8.964   6.128  10.669
   23    HG3  ARG   3           HG1      ARG   3   7.719   6.557   9.445
   24    HD2  ARG   3           HD2      ARG   3   6.315   7.645  11.223
   25    HD3  ARG   3           HD1      ARG   3   7.521   7.148  12.490
   26    HE   ARG   3           HE       ARG   3   8.983   8.860  11.715
   27   HH11  ARG   3          HH11      ARG   3   6.275   8.343   9.447
   28   HH12  ARG   3          HH12      ARG   3   6.621   9.738   8.481
   29   HH21  ARG   3          HH21      ARG   3   9.446  10.751  10.399
   30   HH22  ARG   3          HH22      ARG   3   8.453  11.127   9.031
   31    H    LEU   4           HN       LEU   4   8.666   1.661  10.405
   32    HA   LEU   4           HA       LEU   4  11.176   2.762  10.836
   33    HB2  LEU   4           HB2      LEU   4  10.607   0.472  11.664
   34    HB3  LEU   4           HB1      LEU   4  10.521  -0.109   9.961
   35    HG   LEU   4           HG       LEU   4  12.898   0.442   9.606
   36   HD11  LEU   4          HD11      LEU   4  12.771   1.468  12.504
   37   HD12  LEU   4          HD12      LEU   4  13.253   2.364  11.011
   38   HD13  LEU   4          HD13      LEU   4  14.320   1.061  11.670
   39   HD21  LEU   4          HD21      LEU   4  13.641  -1.104  11.860
   40   HD22  LEU   4          HD22      LEU   4  13.148  -1.718  10.236
   41   HD23  LEU   4          HD23      LEU   4  11.923  -1.563  11.552
   42    H    SER   5           HN       SER   5   9.637   1.435   7.846
   43    HA   SER   5           HA       SER   5  12.073   1.770   6.382
   44    HB2  SER   5           HB2      SER   5   9.162   1.411   5.425
   45    HB3  SER   5           HB1      SER   5  10.599   1.453   4.326
   46    HG   SER   5           HG       SER   5   9.685  -0.640   5.224
   47    H    LYS   6           HN       LYS   6  12.184   4.033   7.535
   48    HA   LYS   6           HA       LYS   6  10.962   5.951   5.679
   49    HB2  LYS   6           HB2      LYS   6   9.845   6.252   7.889
   50    HB3  LYS   6           HB1      LYS   6  11.464   6.256   8.692
   51    HG2  LYS   6           HG2      LYS   6  11.231   8.251   6.480
   52    HG3  LYS   6           HG1      LYS   6  10.040   8.525   7.793
   53    HD2  LYS   6           HD2      LYS   6  11.748   8.873   9.423
   54    HD3  LYS   6           HD1      LYS   6  13.009   8.084   8.417
   55    HE2  LYS   6           HE2      LYS   6  11.619  10.618   7.380
   56    HE3  LYS   6           HE1      LYS   6  12.932  10.752   8.613
   57    H    PHE   7           HN       PHE   7  13.462   5.305   8.142
   58    HA   PHE   7           HA       PHE   7  15.044   7.448   7.636
   59    HB2  PHE   7           HB2      PHE   7  15.810   4.587   8.320
   60    HB3  PHE   7           HB1      PHE   7  16.848   6.033   8.613
   61    HD1  PHE   7           HD1      PHE   7  14.263   3.914   9.768
   62    HD2  PHE   7           HD2      PHE   7  15.961   7.784  10.173
   63    HE1  PHE   7           HE1      PHE   7  13.138   4.183  11.915
   64    HE2  PHE   7           HE2      PHE   7  14.834   8.040  12.329
   65    HZ   PHE   7           HZ       PHE   7  13.433   6.227  13.153
   66    H    PHE   8           HN       PHE   8  14.961   4.251   5.856
   67    HA   PHE   8           HA       PHE   8  17.037   5.369   4.200
   68    HB2  PHE   8           HB2      PHE   8  16.568   3.047   2.899
   69    HB3  PHE   8           HB1      PHE   8  17.676   3.157   4.314
   70    HD1  PHE   8           HD1      PHE   8  14.436   1.993   3.094
   71    HD2  PHE   8           HD2      PHE   8  17.008   2.356   6.452
   72    HE1  PHE   8           HE1      PHE   8  13.105   0.337   4.300
   73    HE2  PHE   8           HE2      PHE   8  15.680   0.708   7.651
   74    HZ   PHE   8           HZ       PHE   8  13.725  -0.314   6.582
   75    H    ARG   9           HN       ARG   9  13.590   5.148   4.340
   76    HA   ARG   9           HA       ARG   9  13.157   5.182   1.539
   77    HB2  ARG   9           HB2      ARG   9  11.406   4.632   3.373
   78    HB3  ARG   9           HB1      ARG   9  11.346   6.403   3.680
   79    HG2  ARG   9           HG2      ARG   9  11.040   5.488   0.814
   80    HG3  ARG   9           HG1      ARG   9   9.683   5.133   1.953
   81    HD2  ARG   9           HD2      ARG   9   9.648   7.598   2.596
   82    HD3  ARG   9           HD1      ARG   9  10.915   7.891   1.331
   83    HE   ARG   9           HE       ARG   9   9.282   7.522  -0.362
   84   HH11  ARG   9          HH11      ARG   9   8.037   6.707   2.879
   85   HH12  ARG   9          HH12      ARG   9   6.383   6.585   2.379
   86   HH21  ARG   9          HH21      ARG   9   7.036   7.352  -1.036
   87   HH22  ARG   9          HH22      ARG   9   5.806   6.956   0.115
   88    H    ASN  10           HN       ASN  10  13.740   7.547   4.136
   89    HA   ASN  10           HA       ASN  10  13.182   9.851   2.696
   90    HB2  ASN  10           HB2      ASN  10  15.245   9.294   4.916
   91    HB3  ASN  10           HB1      ASN  10  14.919  10.943   4.273
   92   HD21  ASN  10          HD21      ASN  10  14.512   9.700   7.048
   93    H    PHE  11           HN       PHE  11  16.047   7.676   2.826
   94    HA   PHE  11           HA       PHE  11  17.610   9.394   1.178
   95    HB2  PHE  11           HB2      PHE  11  17.850   6.506   2.157
   96    HB3  PHE  11           HB1      PHE  11  18.798   6.998   0.697
   97    HD1  PHE  11           HD1      PHE  11  18.674   6.981   4.261
   98    HD2  PHE  11           HD2      PHE  11  20.251   9.071   0.912
   99    HE1  PHE  11           HE1      PHE  11  20.405   7.966   5.688
  100    HE2  PHE  11           HE2      PHE  11  21.974  10.056   2.339
  101    HZ   PHE  11           HZ       PHE  11  22.059   9.506   4.730
  102    H    ILE  12           HN       ILE  12  16.060   6.139   0.565
  103    HA   ILE  12           HA       ILE  12  14.604   6.924  -1.604
  104    HB   ILE  12           HB       ILE  12  16.727   7.350  -2.794
  105   HG12  ILE  12          HG12      ILE  12  15.503   4.707  -3.740
  106   HG13  ILE  12          HG11      ILE  12  14.694   6.305  -3.926
  107   HG21  ILE  12          HG21      ILE  12  18.516   5.804  -2.885
  108   HG22  ILE  12          HG22      ILE  12  17.464   4.396  -2.484
  109   HG23  ILE  12          HG23      ILE  12  17.926   5.570  -1.197
  110   HD11  ILE  12          HD11      ILE  12  17.358   6.693  -4.881
  111   HD12  ILE  12          HD12      ILE  12  15.845   6.587  -5.859
  112   HD13  ILE  12          HD13      ILE  12  16.825   5.104  -5.548
  113    H    LEU  13           HN       LEU  13  13.232   5.232  -2.132
  114    HA   LEU  13           HA       LEU  13  14.067   2.609  -1.160
  115    HB2  LEU  13           HB2      LEU  13  12.431   3.634   0.491
  116    HB3  LEU  13           HB1      LEU  13  11.270   3.854  -0.860
  117    HG   LEU  13           HG       LEU  13  11.252   1.380  -1.234
  118   HD11  LEU  13          HD11      LEU  13  13.060   0.226  -0.449
  119   HD12  LEU  13          HD12      LEU  13  12.196   0.231   1.136
  120   HD13  LEU  13          HD13      LEU  13  13.449   1.482   0.791
  121   HD21  LEU  13          HD21      LEU  13  10.529   1.431   1.652
  122   HD22  LEU  13          HD22      LEU  13   9.488   1.213   0.194
  123   HD23  LEU  13          HD23      LEU  13   9.927   2.874   0.749
  124    H    GLN  14           HN       GLN  14  13.962   1.140  -2.824
  125    HA   GLN  14           HA       GLN  14  11.893   1.561  -4.812
  126    HB2  GLN  14           HB2      GLN  14  14.896   1.357  -5.440
  127    HB3  GLN  14           HB1      GLN  14  13.618   0.977  -6.649
  128    HG2  GLN  14           HG2      GLN  14  12.724   3.296  -6.480
  129    HG3  GLN  14           HG1      GLN  14  13.962   3.694  -5.224
  130   HE21  GLN  14          HE21      GLN  14  13.332   4.182  -8.414
  131   HE22  GLN  14          HE22      GLN  14  14.932   4.189  -9.072
  132    H    ARG  15           HN       ARG  15  11.244  -0.211  -3.230
  133    HA   ARG  15           HA       ARG  15  12.775  -2.546  -3.190
  134    HB2  ARG  15           HB2      ARG  15   9.770  -2.132  -2.724
  135    HB3  ARG  15           HB1      ARG  15  10.607  -3.704  -2.467
  136    HG2  ARG  15           HG2      ARG  15  11.340  -1.083  -1.028
  137    HG3  ARG  15           HG1      ARG  15  10.259  -2.351  -0.354
  138    HD2  ARG  15           HD2      ARG  15  12.173  -4.025  -0.523
  139    HD3  ARG  15           HD1      ARG  15  13.256  -2.671  -1.079
  140    HE   ARG  15           HE       ARG  15  11.938  -1.874   1.358
  141   HH11  ARG  15          HH11      ARG  15  14.340  -4.178   0.088
  142   HH12  ARG  15          HH12      ARG  15  15.269  -4.253   1.549
  143   HH21  ARG  15          HH21      ARG  15  13.202  -1.976   3.345
  144   HH22  ARG  15          HH22      ARG  15  14.611  -2.979   3.430
  145    H    LYS  16           HN       LYS  16  10.137  -1.338  -5.297
  146    HA   LYS  16           HA       LYS  16   9.324  -2.081  -7.221
  147    HB2  LYS  16           HB2      LYS  16  12.004  -3.555  -7.520
  148    HB3  LYS  16           HB1      LYS  16  10.813  -3.277  -8.837
  149    HG2  LYS  16           HG2      LYS  16  12.259  -1.052  -7.274
  150    HG3  LYS  16           HG1      LYS  16  12.761  -1.678  -8.882
  151    HD2  LYS  16           HD2      LYS  16  10.518  -1.002  -9.817
  152    HD3  LYS  16           HD1      LYS  16  10.072  -0.323  -8.214
  153    HE2  LYS  16           HE2      LYS  16  11.980   1.307  -8.368
  154    HE3  LYS  16           HE1      LYS  16  12.426   0.622  -9.987
  155    HZ1  LYS  16           HZ1      LYS  16   9.878   1.128 -10.390
  156    HZ2  LYS  16           HZ2      LYS  16  11.099   2.285 -10.628
  157    HZ3  LYS  16           HZ3      LYS  16  10.174   2.306  -9.204
  158    H    LYS  17           HN       LYS  17   8.565  -3.525  -4.896
  159    HA   LYS  17           HA       LYS  17   7.560  -5.397  -4.308
  160    HB2  LYS  17           HB2      LYS  17   6.463  -5.140  -6.635
  161    HB3  LYS  17           HB1      LYS  17   7.691  -6.306  -7.238
  162    HG2  LYS  17           HG2      LYS  17   6.886  -8.023  -5.633
  163    HG3  LYS  17           HG1      LYS  17   5.693  -6.856  -4.965
  164    HD2  LYS  17           HD2      LYS  17   4.586  -6.715  -7.214
  165    HD3  LYS  17           HD1      LYS  17   5.774  -7.896  -7.868
  166    HE2  LYS  17           HE2      LYS  17   4.947  -9.636  -6.259
  167    HE3  LYS  17           HE1      LYS  17   3.761  -8.444  -5.580
  168    HZ1  LYS  17           HZ1      LYS  17   3.872  -9.237  -8.443
  169    HZ2  LYS  17           HZ2      LYS  17   2.670  -8.336  -7.651
  170    HZ3  LYS  17           HZ3      LYS  17   2.881  -9.980  -7.282
  Start of MODEL   12
    1    H1   GLU   1           HT1      GLU   1   3.918  -1.139   6.984
    2    H2   GLU   1           HT2      GLU   1   3.156  -0.428   5.642
    3    H3   GLU   1           HT3      GLU   1   2.270  -1.429   6.691
    4    HA   GLU   1           HA       GLU   1   2.809   1.340   6.852
    5    HB2  GLU   1           HB2      GLU   1   1.055  -0.646   8.402
    6    HB3  GLU   1           HB1      GLU   1   1.015   1.128   8.704
    7    HG2  GLU   1           HG2      GLU   1   0.262   1.569   6.384
    8    HG3  GLU   1           HG1      GLU   1   0.428  -0.181   5.963
    9    H    MET   2           HN       MET   2   5.268   0.753   7.517
   10    HA   MET   2           HA       MET   2   5.256   0.938  10.442
   11    HB2  MET   2           HB2      MET   2   7.282  -0.583   8.694
   12    HB3  MET   2           HB1      MET   2   7.488  -0.257  10.451
   13    HG2  MET   2           HG2      MET   2   5.433  -1.571  10.950
   14    HG3  MET   2           HG1      MET   2   5.200  -1.889   9.202
   15    HE1  MET   2           HE1      MET   2   4.937  -4.351   9.701
   16    HE2  MET   2           HE2      MET   2   5.198  -4.045  11.452
   17    HE3  MET   2           HE3      MET   2   6.092  -5.370  10.630
   18    H    ARG   3           HN       ARG   3   6.806   2.429  11.293
   19    HA   ARG   3           HA       ARG   3   7.576   4.386   9.322
   20    HB2  ARG   3           HB2      ARG   3   6.769   5.143  11.608
   21    HB3  ARG   3           HB1      ARG   3   8.212   4.340  12.331
   22    HG2  ARG   3           HG2      ARG   3   9.738   5.853  11.179
   23    HG3  ARG   3           HG1      ARG   3   8.407   6.546  10.189
   24    HD2  ARG   3           HD2      ARG   3   9.008   8.112  12.041
   25    HD3  ARG   3           HD1      ARG   3   7.345   7.444  12.342
   26    HE   ARG   3           HE       ARG   3   8.206   6.237  14.210
   27   HH11  ARG   3          HH11      ARG   3  10.827   7.635  12.232
   28   HH12  ARG   3          HH12      ARG   3  12.077   7.308  13.385
   29   HH21  ARG   3          HH21      ARG   3   9.907   5.796  15.771
   30   HH22  ARG   3          HH22      ARG   3  11.544   6.244  15.430
   31    H    LEU   4           HN       LEU   4   8.930   1.518  10.666
   32    HA   LEU   4           HA       LEU   4  11.588   2.298  10.844
   33    HB2  LEU   4           HB2      LEU   4  10.813   0.043  11.625
   34    HB3  LEU   4           HB1      LEU   4  10.493  -0.421   9.914
   35    HG   LEU   4           HG       LEU   4  12.865  -0.184   9.339
   36   HD11  LEU   4          HD11      LEU   4  14.559   0.199  11.258
   37   HD12  LEU   4          HD12      LEU   4  13.165   0.791  12.242
   38   HD13  LEU   4          HD13      LEU   4  13.615   1.641  10.714
   39   HD21  LEU   4          HD21      LEU   4  12.076  -2.382  10.233
   40   HD22  LEU   4          HD22      LEU   4  12.518  -1.865  11.904
   41   HD23  LEU   4          HD23      LEU   4  13.803  -2.072  10.654
   42    H    SER   5           HN       SER   5   9.554   1.362   8.005
   43    HA   SER   5           HA       SER   5  11.833   1.487   6.270
   44    HB2  SER   5           HB2      SER   5   8.810   1.503   5.662
   45    HB3  SER   5           HB1      SER   5  10.104   1.439   4.399
   46    HG   SER   5           HG       SER   5   9.329  -0.607   4.927
   47    H    LYS   6           HN       LYS   6  12.181   3.694   7.635
   48    HA   LYS   6           HA       LYS   6  11.010   5.840   5.990
   49    HB2  LYS   6           HB2      LYS   6  10.304   6.158   8.346
   50    HB3  LYS   6           HB1      LYS   6  11.994   5.830   8.900
   51    HG2  LYS   6           HG2      LYS   6  11.855   8.036   6.904
   52    HG3  LYS   6           HG1      LYS   6  10.848   8.371   8.349
   53    HD2  LYS   6           HD2      LYS   6  12.739   8.236   9.826
   54    HD3  LYS   6           HD1      LYS   6  13.764   7.440   8.585
   55    HE2  LYS   6           HE2      LYS   6  12.642  10.255   8.074
   56    HE3  LYS   6           HE1      LYS   6  14.110  10.029   9.103
   57    H    PHE   7           HN       PHE   7  13.787   4.678   7.903
   58    HA   PHE   7           HA       PHE   7  15.525   6.664   7.267
   59    HB2  PHE   7           HB2      PHE   7  16.006   3.682   7.619
   60    HB3  PHE   7           HB1      PHE   7  17.272   4.958   7.791
   61    HD1  PHE   7           HD1      PHE   7  14.665   3.098   9.295
   62    HD2  PHE   7           HD2      PHE   7  16.926   6.679   9.583
   63    HE1  PHE   7           HE1      PHE   7  13.981   3.344  11.621
   64    HE2  PHE   7           HE2      PHE   7  16.240   6.909  11.922
   65    HZ   PHE   7           HZ       PHE   7  14.765   5.229  12.889
   66    H    PHE   8           HN       PHE   8  14.650   3.717   5.285
   67    HA   PHE   8           HA       PHE   8  16.621   4.637   3.393
   68    HB2  PHE   8           HB2      PHE   8  15.021   2.604   2.149
   69    HB3  PHE   8           HB1      PHE   8  16.727   2.481   2.714
   70    HD1  PHE   8           HD1      PHE   8  13.355   1.418   3.184
   71    HD2  PHE   8           HD2      PHE   8  17.105   1.868   5.129
   72    HE1  PHE   8           HE1      PHE   8  12.673  -0.205   4.881
   73    HE2  PHE   8           HE2      PHE   8  16.420   0.249   6.821
   74    HZ   PHE   8           HZ       PHE   8  14.204  -0.792   6.696
   75    H    ARG   9           HN       ARG   9  13.170   4.866   4.044
   76    HA   ARG   9           HA       ARG   9  12.435   5.489   1.397
   77    HB2  ARG   9           HB2      ARG   9  10.821   4.907   3.323
   78    HB3  ARG   9           HB1      ARG   9  11.108   6.579   3.928
   79    HG2  ARG   9           HG2      ARG   9   9.615   7.405   2.478
   80    HG3  ARG   9           HG1      ARG   9  10.540   6.721   1.082
   81    HD2  ARG   9           HD2      ARG   9   9.313   4.577   1.265
   82    HD3  ARG   9           HD1      ARG   9   8.456   5.152   2.764
   83    HE   ARG   9           HE       ARG   9   7.999   7.066   0.668
   84   HH11  ARG   9          HH11      ARG   9   7.282   3.696   1.569
   85   HH12  ARG   9          HH12      ARG   9   5.769   3.631   0.731
   86   HH21  ARG   9          HH21      ARG   9   5.939   6.978  -0.473
   87   HH22  ARG   9          HH22      ARG   9   4.993   5.530  -0.450
   88    H    ASN  10           HN       ASN  10  13.742   7.310   4.171
   89    HA   ASN  10           HA       ASN  10  13.363   9.870   3.159
   90    HB2  ASN  10           HB2      ASN  10  15.604   8.693   4.919
   91    HB3  ASN  10           HB1      ASN  10  15.471  10.452   4.550
   92   HD21  ASN  10          HD21      ASN  10  15.319   9.087   7.207
   93    H    PHE  11           HN       PHE  11  15.761   7.292   2.512
   94    HA   PHE  11           HA       PHE  11  17.237   9.000   0.731
   95    HB2  PHE  11           HB2      PHE  11  17.334   5.995   1.436
   96    HB3  PHE  11           HB1      PHE  11  18.202   6.631  -0.026
   97    HD1  PHE  11           HD1      PHE  11  18.486   5.924   3.398
   98    HD2  PHE  11           HD2      PHE  11  19.685   8.739   0.448
   99    HE1  PHE  11           HE1      PHE  11  20.388   6.583   4.795
  100    HE2  PHE  11           HE2      PHE  11  21.581   9.393   1.844
  101    HZ   PHE  11           HZ       PHE  11  21.941   8.317   4.020
  102    H    ILE  12           HN       ILE  12  16.267   5.747  -0.387
  103    HA   ILE  12           HA       ILE  12  14.102   6.865  -1.942
  104    HB   ILE  12           HB       ILE  12  16.359   5.259  -3.242
  105   HG12  ILE  12          HG12      ILE  12  17.101   7.622  -2.787
  106   HG13  ILE  12          HG11      ILE  12  16.964   7.245  -4.537
  107   HG21  ILE  12          HG21      ILE  12  14.384   4.665  -4.370
  108   HG22  ILE  12          HG22      ILE  12  14.916   6.090  -5.337
  109   HG23  ILE  12          HG23      ILE  12  13.611   6.274  -4.106
  110   HD11  ILE  12          HD11      ILE  12  14.444   8.382  -3.379
  111   HD12  ILE  12          HD12      ILE  12  15.343   8.836  -4.874
  112   HD13  ILE  12          HD13      ILE  12  15.862   9.490  -3.275
  113    H    LEU  13           HN       LEU  13  12.458   5.390  -1.831
  114    HA   LEU  13           HA       LEU  13  13.248   2.603  -1.509
  115    HB2  LEU  13           HB2      LEU  13  12.629   3.529   0.776
  116    HB3  LEU  13           HB1      LEU  13  11.040   4.023   0.095
  117    HG   LEU  13           HG       LEU  13  10.545   1.630  -0.448
  118   HD11  LEU  13          HD11      LEU  13  13.383   1.287   0.430
  119   HD12  LEU  13          HD12      LEU  13  12.353   0.244  -0.623
  120   HD13  LEU  13          HD13      LEU  13  12.240   0.104   1.172
  121   HD21  LEU  13          HD21      LEU  13   9.504   1.511   1.558
  122   HD22  LEU  13          HD22      LEU  13  10.473   2.943   2.079
  123   HD23  LEU  13          HD23      LEU  13  11.067   1.274   2.431
  124    H    GLN  14           HN       GLN  14  12.291   1.444  -3.142
  125    HA   GLN  14           HA       GLN  14   9.765   2.551  -4.151
  126    HB2  GLN  14           HB2      GLN  14  12.046   1.217  -5.711
  127    HB3  GLN  14           HB1      GLN  14  10.400   1.484  -6.390
  128    HG2  GLN  14           HG2      GLN  14  10.643   3.926  -6.224
  129    HG3  GLN  14           HG1      GLN  14  12.209   3.756  -5.334
  130   HE21  GLN  14          HE21      GLN  14  11.669   5.080  -7.971
  131   HE22  GLN  14          HE22      GLN  14  12.686   4.283  -9.123
  132    H    ARG  15           HN       ARG  15  11.684  -0.100  -2.952
  133    HA   ARG  15           HA       ARG  15  11.197  -2.177  -2.446
  134    HB2  ARG  15           HB2      ARG  15   8.242  -1.471  -2.918
  135    HB3  ARG  15           HB1      ARG  15   8.851  -2.943  -2.088
  136    HG2  ARG  15           HG2      ARG  15   9.332  -0.065  -1.104
  137    HG3  ARG  15           HG1      ARG  15   8.009  -1.134  -0.527
  138    HD2  ARG  15           HD2      ARG  15  11.020  -1.842  -0.319
  139    HD3  ARG  15           HD1      ARG  15  10.023  -1.128   1.025
  140    HE   ARG  15           HE       ARG  15   8.609  -3.412   0.099
  141   HH11  ARG  15          HH11      ARG  15  11.766  -2.587   1.526
  142   HH12  ARG  15          HH12      ARG  15  11.964  -4.098   2.348
  143   HH21  ARG  15          HH21      ARG  15   8.876  -5.469   1.214
  144   HH22  ARG  15          HH22      ARG  15  10.293  -5.766   2.166
  145    H    LYS  16           HN       LYS  16  11.465  -1.105  -5.331
  146    HA   LYS  16           HA       LYS  16  10.016  -3.201  -6.711
  147    HB2  LYS  16           HB2      LYS  16  10.176  -0.918  -7.772
  148    HB3  LYS  16           HB1      LYS  16  11.967  -1.060  -7.750
  149    HG2  LYS  16           HG2      LYS  16  11.175  -1.575  -9.992
  150    HG3  LYS  16           HG1      LYS  16  11.803  -3.083  -9.244
  151    HD2  LYS  16           HD2      LYS  16   9.495  -3.833  -8.734
  152    HD3  LYS  16           HD1      LYS  16   8.827  -2.286  -9.363
  153    HE2  LYS  16           HE2      LYS  16   9.703  -2.833 -11.655
  154    HE3  LYS  16           HE1      LYS  16  10.381  -4.390 -11.018
  155    HZ1  LYS  16           HZ1      LYS  16   7.863  -3.940 -11.994
  156    HZ2  LYS  16           HZ2      LYS  16   7.641  -4.056 -10.314
  157    HZ3  LYS  16           HZ3      LYS  16   8.413  -5.312 -11.157
  158    H    LYS  17           HN       LYS  17  10.973  -5.161  -6.107
  159    HA   LYS  17           HA       LYS  17  13.872  -5.274  -6.242
  160    HB2  LYS  17           HB2      LYS  17  12.868  -6.456  -4.327
  161    HB3  LYS  17           HB1      LYS  17  11.723  -7.310  -5.416
  162    HG2  LYS  17           HG2      LYS  17  13.492  -8.854  -4.755
  163    HG3  LYS  17           HG1      LYS  17  13.660  -8.492  -6.505
  164    HD2  LYS  17           HD2      LYS  17  15.489  -6.882  -6.027
  165    HD3  LYS  17           HD1      LYS  17  15.277  -7.132  -4.259
  166    HE2  LYS  17           HE2      LYS  17  15.939  -9.543  -4.516
  167    HE3  LYS  17           HE1      LYS  17  16.144  -9.292  -6.300
  168    HZ1  LYS  17           HZ1      LYS  17  18.010  -8.906  -4.339
  169    HZ2  LYS  17           HZ2      LYS  17  17.543  -7.332  -4.772
  170    HZ3  LYS  17           HZ3      LYS  17  18.106  -8.408  -5.959
  Start of MODEL   13
    1    H1   GLU   1           HT1      GLU   1   3.892  -0.323   5.047
    2    H2   GLU   1           HT2      GLU   1   3.704   1.071   5.999
    3    H3   GLU   1           HT3      GLU   1   2.401   0.488   5.079
    4    HA   GLU   1           HA       GLU   1   1.762  -0.399   6.990
    5    HB2  GLU   1           HB2      GLU   1   2.490  -2.308   5.445
    6    HB3  GLU   1           HB1      GLU   1   4.040  -2.361   6.357
    7    HG2  GLU   1           HG2      GLU   1   2.810  -2.921   8.468
    8    HG3  GLU   1           HG1      GLU   1   1.234  -2.826   7.584
    9    H    MET   2           HN       MET   2   5.342  -0.038   6.914
   10    HA   MET   2           HA       MET   2   5.175   0.360   9.816
   11    HB2  MET   2           HB2      MET   2   7.428  -1.006   8.224
   12    HB3  MET   2           HB1      MET   2   7.578  -0.487   9.939
   13    HG2  MET   2           HG2      MET   2   5.776  -2.025  10.614
   14    HG3  MET   2           HG1      MET   2   5.478  -2.480   8.907
   15    HE1  MET   2           HE1      MET   2   7.616  -2.258  11.862
   16    HE2  MET   2           HE2      MET   2   9.146  -2.118  10.929
   17    HE3  MET   2           HE3      MET   2   8.785  -3.624  11.839
   18    H    ARG   3           HN       ARG   3   6.348   2.169  10.587
   19    HA   ARG   3           HA       ARG   3   7.005   4.028   8.483
   20    HB2  ARG   3           HB2      ARG   3   5.882   4.760  10.702
   21    HB3  ARG   3           HB1      ARG   3   7.469   4.434  11.490
   22    HG2  ARG   3           HG2      ARG   3   8.574   6.116  10.026
   23    HG3  ARG   3           HG1      ARG   3   7.031   6.402   9.154
   24    HD2  ARG   3           HD2      ARG   3   7.341   8.215  10.803
   25    HD3  ARG   3           HD1      ARG   3   5.999   7.146  11.406
   26    HE   ARG   3           HE       ARG   3   7.417   6.429  13.182
   27   HH11  ARG   3          HH11      ARG   3   9.229   8.277  10.726
   28   HH12  ARG   3          HH12      ARG   3  10.666   8.428  11.682
   29   HH21  ARG   3          HH21      ARG   3   9.369   6.640  14.475
   30   HH22  ARG   3          HH22      ARG   3  10.746   7.482  13.847
   31    H    LEU   4           HN       LEU   4   8.619   1.530  10.196
   32    HA   LEU   4           HA       LEU   4  11.118   2.631  10.587
   33    HB2  LEU   4           HB2      LEU   4  10.062   0.061  10.825
   34    HB3  LEU   4           HB1      LEU   4  11.141  -0.127   9.400
   35    HG   LEU   4           HG       LEU   4  12.326  -0.717  11.457
   36   HD11  LEU   4          HD11      LEU   4  13.446   1.995  10.531
   37   HD12  LEU   4          HD12      LEU   4  13.527   0.497   9.527
   38   HD13  LEU   4          HD13      LEU   4  14.351   0.553  11.133
   39   HD21  LEU   4          HD21      LEU   4  10.882   0.897  12.926
   40   HD22  LEU   4          HD22      LEU   4  12.083   2.166  12.478
   41   HD23  LEU   4          HD23      LEU   4  12.621   0.686  13.358
   42    H    SER   5           HN       SER   5   9.449   1.639   7.577
   43    HA   SER   5           HA       SER   5  11.886   1.940   6.062
   44    HB2  SER   5           HB2      SER   5   8.938   1.659   5.191
   45    HB3  SER   5           HB1      SER   5  10.323   1.796   4.036
   46    HG   SER   5           HG       SER   5  10.410  -0.118   6.082
   47    H    LYS   6           HN       LYS   6  12.204   4.099   7.219
   48    HA   LYS   6           HA       LYS   6  10.935   6.167   5.590
   49    HB2  LYS   6           HB2      LYS   6   9.741   6.489   7.660
   50    HB3  LYS   6           HB1      LYS   6  11.174   5.973   8.622
   51    HG2  LYS   6           HG2      LYS   6  10.606   8.462   8.757
   52    HG3  LYS   6           HG1      LYS   6  12.298   8.081   8.303
   53    HD2  LYS   6           HD2      LYS   6  11.427   8.333   5.818
   54    HD3  LYS   6           HD1      LYS   6  10.028   9.170   6.564
   55    HE2  LYS   6           HE2      LYS   6  11.298  11.077   6.483
   56    HE3  LYS   6           HE1      LYS   6  12.276  10.368   7.828
   57    H    PHE   7           HN       PHE   7  13.338   5.436   8.118
   58    HA   PHE   7           HA       PHE   7  15.035   7.497   7.691
   59    HB2  PHE   7           HB2      PHE   7  15.685   4.588   8.296
   60    HB3  PHE   7           HB1      PHE   7  16.741   5.995   8.697
   61    HD1  PHE   7           HD1      PHE   7  14.125   3.849   9.673
   62    HD2  PHE   7           HD2      PHE   7  15.779   7.709  10.285
   63    HE1  PHE   7           HE1      PHE   7  12.941   4.016  11.795
   64    HE2  PHE   7           HE2      PHE   7  14.591   7.869  12.417
   65    HZ   PHE   7           HZ       PHE   7  13.185   6.012  13.131
   66    H    PHE   8           HN       PHE   8  14.915   4.301   5.906
   67    HA   PHE   8           HA       PHE   8  17.017   5.395   4.255
   68    HB2  PHE   8           HB2      PHE   8  16.912   3.065   3.097
   69    HB3  PHE   8           HB1      PHE   8  17.639   3.161   4.744
   70    HD1  PHE   8           HD1      PHE   8  14.745   2.072   2.775
   71    HD2  PHE   8           HD2      PHE   8  16.536   2.259   6.619
   72    HE1  PHE   8           HE1      PHE   8  13.166   0.403   3.598
   73    HE2  PHE   8           HE2      PHE   8  14.960   0.598   7.437
   74    HZ   PHE   8           HZ       PHE   8  13.272  -0.345   5.933
   75    H    ARG   9           HN       ARG   9  13.586   5.084   4.346
   76    HA   ARG   9           HA       ARG   9  13.179   4.815   1.568
   77    HB2  ARG   9           HB2      ARG   9  11.358   4.464   3.288
   78    HB3  ARG   9           HB1      ARG   9  11.407   6.231   3.620
   79    HG2  ARG   9           HG2      ARG   9  11.066   5.388   0.736
   80    HG3  ARG   9           HG1      ARG   9   9.681   5.094   1.861
   81    HD2  ARG   9           HD2      ARG   9   9.842   7.558   2.566
   82    HD3  ARG   9           HD1      ARG   9  11.063   7.775   1.238
   83    HE   ARG   9           HE       ARG   9   8.736   6.491   0.137
   84   HH11  ARG   9          HH11      ARG   9   9.824   9.567   1.565
   85   HH12  ARG   9          HH12      ARG   9   8.714  10.553   0.672
   86   HH21  ARG   9          HH21      ARG   9   7.225   7.831  -1.080
   87   HH22  ARG   9          HH22      ARG   9   7.210   9.547  -0.857
   88    H    ASN  10           HN       ASN  10  13.684   7.560   3.820
   89    HA   ASN  10           HA       ASN  10  13.133   9.550   1.949
   90    HB2  ASN  10           HB2      ASN  10  15.046   9.531   4.358
   91    HB3  ASN  10           HB1      ASN  10  14.676  11.011   3.396
   92   HD21  ASN  10          HD21      ASN  10  13.993   9.760   6.298
   93    H    PHE  11           HN       PHE  11  16.098   7.595   2.637
   94    HA   PHE  11           HA       PHE  11  17.698   9.102   0.862
   95    HB2  PHE  11           HB2      PHE  11  17.904   6.280   2.048
   96    HB3  PHE  11           HB1      PHE  11  19.002   6.771   0.696
   97    HD1  PHE  11           HD1      PHE  11  18.623   6.657   4.184
   98    HD2  PHE  11           HD2      PHE  11  20.169   9.092   1.065
   99    HE1  PHE  11           HE1      PHE  11  20.126   7.748   5.780
  100    HE2  PHE  11           HE2      PHE  11  21.668  10.179   2.659
  101    HZ   PHE  11           HZ       PHE  11  21.654   9.511   5.020
  102    H    ILE  12           HN       ILE  12  15.889   5.943   0.530
  103    HA   ILE  12           HA       ILE  12  14.711   6.499  -1.830
  104    HB   ILE  12           HB       ILE  12  16.916   6.667  -2.920
  105   HG12  ILE  12          HG12      ILE  12  15.642   3.973  -3.613
  106   HG13  ILE  12          HG11      ILE  12  14.913   5.562  -4.049
  107   HG21  ILE  12          HG21      ILE  12  17.480   3.751  -2.169
  108   HG22  ILE  12          HG22      ILE  12  17.933   5.077  -1.033
  109   HG23  ILE  12          HG23      ILE  12  18.625   5.039  -2.698
  110   HD11  ILE  12          HD11      ILE  12  17.261   4.142  -5.234
  111   HD12  ILE  12          HD12      ILE  12  17.533   5.898  -4.922
  112   HD13  ILE  12          HD13      ILE  12  16.155   5.369  -5.961
  113    H    LEU  13           HN       LEU  13  13.266   4.851  -2.269
  114    HA   LEU  13           HA       LEU  13  13.848   2.314  -0.929
  115    HB2  LEU  13           HB2      LEU  13  12.055   3.680   0.308
  116    HB3  LEU  13           HB1      LEU  13  11.071   3.605  -1.193
  117    HG   LEU  13           HG       LEU  13  12.105   0.968  -0.218
  118   HD11  LEU  13          HD11      LEU  13   9.996   2.517   1.413
  119   HD12  LEU  13          HD12      LEU  13  11.630   1.997   1.976
  120   HD13  LEU  13          HD13      LEU  13  10.373   0.760   1.589
  121   HD21  LEU  13          HD21      LEU  13  10.375   0.206  -1.474
  122   HD22  LEU  13          HD22      LEU  13  10.083   1.912  -1.987
  123   HD23  LEU  13          HD23      LEU  13   9.184   1.224  -0.582
  124    H    GLN  14           HN       GLN  14  13.918   0.674  -2.397
  125    HA   GLN  14           HA       GLN  14  12.202   0.974  -4.749
  126    HB2  GLN  14           HB2      GLN  14  15.140   0.055  -4.695
  127    HB3  GLN  14           HB1      GLN  14  14.032  -0.222  -6.089
  128    HG2  GLN  14           HG2      GLN  14  13.774   2.191  -6.463
  129    HG3  GLN  14           HG1      GLN  14  14.698   2.567  -4.955
  130   HE21  GLN  14          HE21      GLN  14  15.312   3.264  -7.829
  131   HE22  GLN  14          HE22      GLN  14  16.885   2.614  -8.142
  132    H    ARG  15           HN       ARG  15  12.044  -0.299  -2.065
  133    HA   ARG  15           HA       ARG  15  12.656  -2.999  -2.321
  134    HB2  ARG  15           HB2      ARG  15  10.539  -1.610  -0.599
  135    HB3  ARG  15           HB1      ARG  15  10.911  -3.363  -0.482
  136    HG2  ARG  15           HG2      ARG  15  12.967  -1.113  -0.038
  137    HG3  ARG  15           HG1      ARG  15  12.050  -1.929   1.273
  138    HD2  ARG  15           HD2      ARG  15  13.979  -3.343  -0.704
  139    HD3  ARG  15           HD1      ARG  15  14.345  -2.921   1.024
  140    HE   ARG  15           HE       ARG  15  12.588  -5.111   0.068
  141   HH11  ARG  15          HH11      ARG  15  13.559  -2.957   2.740
  142   HH12  ARG  15          HH12      ARG  15  12.981  -4.003   3.994
  143   HH21  ARG  15          HH21      ARG  15  11.804  -6.526   1.775
  144   HH22  ARG  15          HH22      ARG  15  11.967  -6.064   3.436
  145    H    LYS  16           HN       LYS  16   9.771  -1.050  -3.179
  146    HA   LYS  16           HA       LYS  16   8.437  -3.474  -4.018
  147    HB2  LYS  16           HB2      LYS  16   7.093  -1.618  -2.950
  148    HB3  LYS  16           HB1      LYS  16   7.610  -0.522  -4.277
  149    HG2  LYS  16           HG2      LYS  16   5.375  -1.285  -4.786
  150    HG3  LYS  16           HG1      LYS  16   6.497  -2.087  -5.936
  151    HD2  LYS  16           HD2      LYS  16   6.443  -4.169  -4.570
  152    HD3  LYS  16           HD1      LYS  16   5.380  -3.369  -3.362
  153    HE2  LYS  16           HE2      LYS  16   4.627  -3.789  -6.333
  154    HE3  LYS  16           HE1      LYS  16   4.113  -4.869  -4.970
  155    HZ1  LYS  16           HZ1      LYS  16   2.940  -2.514  -5.852
  156    HZ2  LYS  16           HZ2      LYS  16   3.583  -2.181  -4.317
  157    HZ3  LYS  16           HZ3      LYS  16   2.506  -3.477  -4.523
  158    H    LYS  17           HN       LYS  17   9.682  -4.275  -5.750
  159    HA   LYS  17           HA       LYS  17  10.383  -2.396  -7.833
  160    HB2  LYS  17           HB2      LYS  17  10.709  -5.452  -7.669
  161    HB3  LYS  17           HB1      LYS  17  11.336  -4.423  -9.005
  162    HG2  LYS  17           HG2      LYS  17  12.725  -3.149  -7.296
  163    HG3  LYS  17           HG1      LYS  17  12.186  -4.323  -6.047
  164    HD2  LYS  17           HD2      LYS  17  13.645  -5.114  -8.642
  165    HD3  LYS  17           HD1      LYS  17  14.473  -4.797  -7.078
  166    HE2  LYS  17           HE2      LYS  17  13.117  -6.654  -6.010
  167    HE3  LYS  17           HE1      LYS  17  12.366  -6.997  -7.625
  168    HZ1  LYS  17           HZ1      LYS  17  14.947  -7.689  -6.601
  169    HZ2  LYS  17           HZ2      LYS  17  15.039  -6.936  -8.120
  170    HZ3  LYS  17           HZ3      LYS  17  14.077  -8.319  -7.915
  Start of MODEL   14
    1    H1   GLU   1           HT1      GLU   1   3.089  -1.844   4.962
    2    H2   GLU   1           HT2      GLU   1   2.385  -2.750   6.214
    3    H3   GLU   1           HT3      GLU   1   4.016  -2.288   6.314
    4    HA   GLU   1           HA       GLU   1   2.760   0.063   5.964
    5    HB2  GLU   1           HB2      GLU   1   1.114  -1.793   7.775
    6    HB3  GLU   1           HB1      GLU   1   0.999   0.002   7.858
    7    HG2  GLU   1           HG2      GLU   1   0.194   0.122   5.519
    8    HG3  GLU   1           HG1      GLU   1   0.435  -1.658   5.309
    9    H    MET   2           HN       MET   2   5.214  -0.138   6.642
   10    HA   MET   2           HA       MET   2   5.240   0.200   9.557
   11    HB2  MET   2           HB2      MET   2   7.375  -1.141   7.793
   12    HB3  MET   2           HB1      MET   2   7.652  -0.639   9.498
   13    HG2  MET   2           HG2      MET   2   5.692  -2.141  10.166
   14    HG3  MET   2           HG1      MET   2   5.660  -2.745   8.480
   15    HE1  MET   2           HE1      MET   2   8.774  -3.054   7.574
   16    HE2  MET   2           HE2      MET   2   7.204  -3.882   7.289
   17    HE3  MET   2           HE3      MET   2   8.626  -4.823   7.856
   18    H    ARG   3           HN       ARG   3   6.385   2.023  10.271
   19    HA   ARG   3           HA       ARG   3   7.159   3.798   8.094
   20    HB2  ARG   3           HB2      ARG   3   5.736   4.639  10.095
   21    HB3  ARG   3           HB1      ARG   3   7.215   4.415  11.098
   22    HG2  ARG   3           HG2      ARG   3   8.459   6.043   9.724
   23    HG3  ARG   3           HG1      ARG   3   7.079   6.193   8.583
   24    HD2  ARG   3           HD2      ARG   3   7.051   8.139  10.107
   25    HD3  ARG   3           HD1      ARG   3   5.655   7.066  10.558
   26    HE   ARG   3           HE       ARG   3   6.764   6.543  12.603
   27   HH11  ARG   3          HH11      ARG   3   8.922   8.277  10.350
   28   HH12  ARG   3          HH12      ARG   3  10.161   8.568  11.526
   29   HH21  ARG   3          HH21      ARG   3   8.447   6.945  14.193
   30   HH22  ARG   3          HH22      ARG   3   9.887   7.798  13.745
   31    H    LEU   4           HN       LEU   4   8.579   1.412  10.068
   32    HA   LEU   4           HA       LEU   4  10.977   2.645  10.741
   33    HB2  LEU   4           HB2      LEU   4   9.996   0.149  11.224
   34    HB3  LEU   4           HB1      LEU   4  11.035  -0.243   9.812
   35    HG   LEU   4           HG       LEU   4  12.210  -0.603  11.957
   36   HD11  LEU   4          HD11      LEU   4  14.299   0.333  11.333
   37   HD12  LEU   4          HD12      LEU   4  13.549   1.839  10.680
   38   HD13  LEU   4          HD13      LEU   4  13.385   0.284   9.777
   39   HD21  LEU   4          HD21      LEU   4  10.928   1.299  13.177
   40   HD22  LEU   4          HD22      LEU   4  12.142   2.426  12.464
   41   HD23  LEU   4          HD23      LEU   4  12.678   1.105  13.570
   42    H    SER   5           HN       SER   5   9.794   1.168   7.670
   43    HA   SER   5           HA       SER   5  12.390   1.505   6.481
   44    HB2  SER   5           HB2      SER   5  11.029   1.025   4.280
   45    HB3  SER   5           HB1      SER   5  11.150  -0.321   5.481
   46    HG   SER   5           HG       SER   5   9.020   1.538   5.169
   47    H    LYS   6           HN       LYS   6  12.109   3.856   7.502
   48    HA   LYS   6           HA       LYS   6  10.982   5.535   5.361
   49    HB2  LYS   6           HB2      LYS   6   9.753   5.978   7.475
   50    HB3  LYS   6           HB1      LYS   6  11.324   6.077   8.362
   51    HG2  LYS   6           HG2      LYS   6  11.232   7.933   6.047
   52    HG3  LYS   6           HG1      LYS   6   9.885   8.234   7.189
   53    HD2  LYS   6           HD2      LYS   6  11.399   8.665   9.015
   54    HD3  LYS   6           HD1      LYS   6  12.798   7.971   8.127
   55    HE2  LYS   6           HE2      LYS   6  11.301  10.415   7.006
   56    HE3  LYS   6           HE1      LYS   6  12.562  10.608   8.286
   57    H    PHE   7           HN       PHE   7  13.476   5.104   7.879
   58    HA   PHE   7           HA       PHE   7  14.947   7.318   7.359
   59    HB2  PHE   7           HB2      PHE   7  15.871   4.508   8.045
   60    HB3  PHE   7           HB1      PHE   7  16.828   6.009   8.332
   61    HD1  PHE   7           HD1      PHE   7  14.511   3.693   9.571
   62    HD2  PHE   7           HD2      PHE   7  15.720   7.755   9.830
   63    HE1  PHE   7           HE1      PHE   7  13.399   3.886  11.729
   64    HE2  PHE   7           HE2      PHE   7  14.604   7.939  12.000
   65    HZ   PHE   7           HZ       PHE   7  13.454   5.992  12.904
   66    H    PHE   8           HN       PHE   8  15.066   4.103   5.592
   67    HA   PHE   8           HA       PHE   8  17.087   5.334   3.948
   68    HB2  PHE   8           HB2      PHE   8  16.776   3.008   2.632
   69    HB3  PHE   8           HB1      PHE   8  17.827   3.150   4.087
   70    HD1  PHE   8           HD1      PHE   8  14.721   1.819   2.720
   71    HD2  PHE   8           HD2      PHE   8  17.099   2.314   6.202
   72    HE1  PHE   8           HE1      PHE   8  13.438   0.075   3.851
   73    HE2  PHE   8           HE2      PHE   8  15.818   0.579   7.326
   74    HZ   PHE   8           HZ       PHE   8  13.986  -0.554   6.159
   75    H    ARG   9           HN       ARG   9  13.658   4.958   4.058
   76    HA   ARG   9           HA       ARG   9  13.250   4.983   1.255
   77    HB2  ARG   9           HB2      ARG   9  11.488   4.332   3.014
   78    HB3  ARG   9           HB1      ARG   9  11.380   6.083   3.411
   79    HG2  ARG   9           HG2      ARG   9  11.136   5.337   0.495
   80    HG3  ARG   9           HG1      ARG   9   9.779   4.851   1.584
   81    HD2  ARG   9           HD2      ARG   9  10.887   7.688   1.759
   82    HD3  ARG   9           HD1      ARG   9   9.750   7.252   0.407
   83    HE   ARG   9           HE       ARG   9   8.545   6.265   2.766
   84   HH11  ARG   9          HH11      ARG   9   9.732   9.377   1.509
   85   HH12  ARG   9          HH12      ARG   9   8.570  10.341   2.358
   86   HH21  ARG   9          HH21      ARG   9   6.961   7.574   3.922
   87   HH22  ARG   9          HH22      ARG   9   6.967   9.296   3.752
   88    H    ASN  10           HN       ASN  10  13.678   7.369   3.867
   89    HA   ASN  10           HA       ASN  10  13.059   9.639   2.388
   90    HB2  ASN  10           HB2      ASN  10  15.068   9.199   4.683
   91    HB3  ASN  10           HB1      ASN  10  14.687  10.826   4.009
   92   HD21  ASN  10          HD21      ASN  10  14.256   9.688   6.784
   93    H    PHE  11           HN       PHE  11  16.028   7.610   2.648
   94    HA   PHE  11           HA       PHE  11  17.595   9.380   1.088
   95    HB2  PHE  11           HB2      PHE  11  17.860   6.493   2.015
   96    HB3  PHE  11           HB1      PHE  11  18.787   6.971   0.536
   97    HD1  PHE  11           HD1      PHE  11  18.181   7.911   4.086
   98    HD2  PHE  11           HD2      PHE  11  20.771   8.120   0.727
   99    HE1  PHE  11           HE1      PHE  11  19.919   8.908   5.487
  100    HE2  PHE  11           HE2      PHE  11  22.505   9.121   2.131
  101    HZ   PHE  11           HZ       PHE  11  22.088   9.515   4.516
  102    H    ILE  12           HN       ILE  12  16.020   6.166   0.315
  103    HA   ILE  12           HA       ILE  12  14.649   6.998  -1.868
  104    HB   ILE  12           HB       ILE  12  16.675   7.577  -3.079
  105   HG12  ILE  12          HG12      ILE  12  16.688   5.817  -4.908
  106   HG13  ILE  12          HG11      ILE  12  15.589   4.827  -3.892
  107   HG21  ILE  12          HG21      ILE  12  17.703   4.792  -2.214
  108   HG22  ILE  12          HG22      ILE  12  18.290   6.384  -1.604
  109   HG23  ILE  12          HG23      ILE  12  18.556   5.925  -3.326
  110   HD11  ILE  12          HD11      ILE  12  14.823   6.825  -5.760
  111   HD12  ILE  12          HD12      ILE  12  14.596   7.614  -4.154
  112   HD13  ILE  12          HD13      ILE  12  13.762   6.055  -4.520
  113    H    LEU  13           HN       LEU  13  13.327   5.302  -2.493
  114    HA   LEU  13           HA       LEU  13  14.245   2.644  -1.695
  115    HB2  LEU  13           HB2      LEU  13  12.543   3.667  -0.001
  116    HB3  LEU  13           HB1      LEU  13  11.354   3.611  -1.344
  117    HG   LEU  13           HG       LEU  13  12.877   1.073  -0.801
  118   HD11  LEU  13          HD11      LEU  13  11.079   0.534   1.050
  119   HD12  LEU  13          HD12      LEU  13  10.951   2.326   1.223
  120   HD13  LEU  13          HD13      LEU  13  12.533   1.503   1.501
  121   HD21  LEU  13          HD21      LEU  13   9.959   0.826  -0.894
  122   HD22  LEU  13          HD22      LEU  13  11.198   0.215  -2.053
  123   HD23  LEU  13          HD23      LEU  13  10.527   1.878  -2.245
  124    H    GLN  14           HN       GLN  14  14.217   1.346  -3.486
  125    HA   GLN  14           HA       GLN  14  12.102   1.887  -5.431
  126    HB2  GLN  14           HB2      GLN  14  15.086   1.436  -6.041
  127    HB3  GLN  14           HB1      GLN  14  13.781   1.301  -7.275
  128    HG2  GLN  14           HG2      GLN  14  13.192   3.670  -7.026
  129    HG3  GLN  14           HG1      GLN  14  14.320   3.849  -5.623
  130   HE21  GLN  14          HE21      GLN  14  14.338   5.250  -8.289
  131   HE22  GLN  14          HE22      GLN  14  15.889   4.926  -8.982
  132    H    ARG  15           HN       ARG  15  12.584   0.066  -3.124
  133    HA   ARG  15           HA       ARG  15  13.433  -2.395  -4.105
  134    HB2  ARG  15           HB2      ARG  15  11.532  -1.753  -1.788
  135    HB3  ARG  15           HB1      ARG  15  12.163  -3.398  -2.139
  136    HG2  ARG  15           HG2      ARG  15  13.965  -0.970  -1.573
  137    HG3  ARG  15           HG1      ARG  15  13.399  -2.112  -0.308
  138    HD2  ARG  15           HD2      ARG  15  14.519  -4.019  -1.534
  139    HD3  ARG  15           HD1      ARG  15  15.130  -2.842  -2.776
  140    HE   ARG  15           HE       ARG  15  16.062  -3.095   0.045
  141   HH11  ARG  15          HH11      ARG  15  16.006  -1.261  -3.015
  142   HH12  ARG  15          HH12      ARG  15  17.439  -0.351  -2.670
  143   HH21  ARG  15          HH21      ARG  15  18.005  -1.855   0.507
  144   HH22  ARG  15          HH22      ARG  15  18.593  -0.695  -0.635
  145    H    LYS  16           HN       LYS  16  10.255  -0.756  -3.958
  146    HA   LYS  16           HA       LYS  16   8.299  -1.233  -4.885
  147    HB2  LYS  16           HB2      LYS  16   9.882  -2.977  -6.860
  148    HB3  LYS  16           HB1      LYS  16   8.197  -2.391  -7.087
  149    HG2  LYS  16           HG2      LYS  16  10.693  -0.598  -6.860
  150    HG3  LYS  16           HG1      LYS  16   9.879  -1.063  -8.391
  151    HD2  LYS  16           HD2      LYS  16   7.770   0.053  -7.587
  152    HD3  LYS  16           HD1      LYS  16   8.619   0.549  -6.083
  153    HE2  LYS  16           HE2      LYS  16  10.254   1.892  -7.444
  154    HE3  LYS  16           HE1      LYS  16   9.387   1.399  -8.958
  155    HZ1  LYS  16           HZ1      LYS  16   8.699   3.359  -6.971
  156    HZ2  LYS  16           HZ2      LYS  16   7.409   2.329  -7.366
  157    HZ3  LYS  16           HZ3      LYS  16   8.203   3.202  -8.587
  158    H    LYS  17           HN       LYS  17   9.060  -2.805  -2.626
  159    HA   LYS  17           HA       LYS  17   7.950  -5.416  -3.388
  160    HB2  LYS  17           HB2      LYS  17   9.576  -4.547  -0.925
  161    HB3  LYS  17           HB1      LYS  17   8.779  -6.153  -1.078
  162    HG2  LYS  17           HG2      LYS  17  10.146  -6.653  -3.105
  163    HG3  LYS  17           HG1      LYS  17  10.940  -5.046  -2.972
  164    HD2  LYS  17           HD2      LYS  17  11.846  -5.680  -0.724
  165    HD3  LYS  17           HD1      LYS  17  11.047  -7.285  -0.855
  166    HE2  LYS  17           HE2      LYS  17  12.443  -7.828  -2.870
  167    HE3  LYS  17           HE1      LYS  17  13.237  -6.201  -2.754
  168    HZ1  LYS  17           HZ1      LYS  17  14.089  -8.461  -1.576
  169    HZ2  LYS  17           HZ2      LYS  17  13.253  -7.717  -0.299
  170    HZ3  LYS  17           HZ3      LYS  17  14.501  -6.886  -1.095
  Start of MODEL   15
    1    H1   GLU   1           HT1      GLU   1   3.414  -1.561   4.234
    2    H2   GLU   1           HT2      GLU   1   4.716  -1.647   5.321
    3    H3   GLU   1           HT3      GLU   1   4.402  -0.203   4.483
    4    HA   GLU   1           HA       GLU   1   2.678   0.380   5.766
    5    HB2  GLU   1           HB2      GLU   1   1.255  -1.237   7.044
    6    HB3  GLU   1           HB1      GLU   1   1.332  -1.651   5.297
    7    HG2  GLU   1           HG2      GLU   1   3.112  -3.386   5.797
    8    HG3  GLU   1           HG1      GLU   1   2.961  -3.002   7.558
    9    H    MET   2           HN       MET   2   5.613  -0.037   6.369
   10    HA   MET   2           HA       MET   2   5.300   0.007   9.285
   11    HB2  MET   2           HB2      MET   2   7.613  -1.208   7.659
   12    HB3  MET   2           HB1      MET   2   7.683  -0.893   9.429
   13    HG2  MET   2           HG2      MET   2   5.833  -2.464   9.835
   14    HG3  MET   2           HG1      MET   2   5.610  -2.714   8.076
   15    HE1  MET   2           HE1      MET   2   8.787  -4.244  10.988
   16    HE2  MET   2           HE2      MET   2   7.608  -2.896  11.139
   17    HE3  MET   2           HE3      MET   2   9.168  -2.634  10.285
   18    H    ARG   3           HN       ARG   3   6.488   1.666  10.332
   19    HA   ARG   3           HA       ARG   3   7.189   3.803   8.565
   20    HB2  ARG   3           HB2      ARG   3   6.211   4.322  10.835
   21    HB3  ARG   3           HB1      ARG   3   7.673   3.594  11.598
   22    HG2  ARG   3           HG2      ARG   3   9.128   5.311  10.669
   23    HG3  ARG   3           HG1      ARG   3   7.814   5.956   9.625
   24    HD2  ARG   3           HD2      ARG   3   7.704   5.961  12.725
   25    HD3  ARG   3           HD1      ARG   3   8.255   7.369  11.711
   26    HE   ARG   3           HE       ARG   3   5.707   6.525  10.718
   27   HH11  ARG   3          HH11      ARG   3   7.212   7.881  13.647
   28   HH12  ARG   3          HH12      ARG   3   5.804   8.754  14.154
   29   HH21  ARG   3          HH21      ARG   3   3.791   7.713  11.405
   30   HH22  ARG   3          HH22      ARG   3   3.825   8.655  12.856
   31    H    LEU   4           HN       LEU   4   8.844   1.047   9.913
   32    HA   LEU   4           HA       LEU   4  11.367   2.065  10.275
   33    HB2  LEU   4           HB2      LEU   4  10.282  -0.518  10.212
   34    HB3  LEU   4           HB1      LEU   4  11.359  -0.519   8.771
   35    HG   LEU   4           HG       LEU   4  12.112   0.071  11.683
   36   HD11  LEU   4          HD11      LEU   4  13.102  -2.104   9.734
   37   HD12  LEU   4          HD12      LEU   4  11.891  -2.345  11.051
   38   HD13  LEU   4          HD13      LEU   4  13.591  -1.897  11.459
   39   HD21  LEU   4          HD21      LEU   4  14.473   0.399  10.856
   40   HD22  LEU   4          HD22      LEU   4  13.342   1.684  10.281
   41   HD23  LEU   4          HD23      LEU   4  13.861   0.369   9.159
   42    H    SER   5           HN       SER   5   9.564   1.441   7.233
   43    HA   SER   5           HA       SER   5  11.936   1.905   5.665
   44    HB2  SER   5           HB2      SER   5   8.947   1.803   4.897
   45    HB3  SER   5           HB1      SER   5  10.289   2.055   3.707
   46    HG   SER   5           HG       SER   5   9.470  -0.148   4.082
   47    H    LYS   6           HN       LYS   6  12.364   3.896   7.066
   48    HA   LYS   6           HA       LYS   6  11.071   6.177   5.778
   49    HB2  LYS   6           HB2      LYS   6   9.973   6.253   7.923
   50    HB3  LYS   6           HB1      LYS   6  11.436   5.598   8.746
   51    HG2  LYS   6           HG2      LYS   6  10.921   8.064   9.210
   52    HG3  LYS   6           HG1      LYS   6  12.586   7.712   8.647
   53    HD2  LYS   6           HD2      LYS   6  11.613   8.277   6.243
   54    HD3  LYS   6           HD1      LYS   6  10.279   9.055   7.153
   55    HE2  LYS   6           HE2      LYS   6  11.606  10.924   7.234
   56    HE3  LYS   6           HE1      LYS   6  12.622  10.033   8.436
   57    H    PHE   7           HN       PHE   7  13.551   5.106   8.098
   58    HA   PHE   7           HA       PHE   7  15.266   7.185   7.849
   59    HB2  PHE   7           HB2      PHE   7  15.886   4.218   8.111
   60    HB3  PHE   7           HB1      PHE   7  16.975   5.559   8.629
   61    HD1  PHE   7           HD1      PHE   7  14.300   3.389   9.422
   62    HD2  PHE   7           HD2      PHE   7  16.141   7.072  10.449
   63    HE1  PHE   7           HE1      PHE   7  13.180   3.342  11.585
   64    HE2  PHE   7           HE2      PHE   7  15.012   7.020  12.618
   65    HZ   PHE   7           HZ       PHE   7  13.543   5.146  13.143
   66    H    PHE   8           HN       PHE   8  15.022   4.212   5.730
   67    HA   PHE   8           HA       PHE   8  17.084   5.449   4.130
   68    HB2  PHE   8           HB2      PHE   8  16.876   3.252   2.732
   69    HB3  PHE   8           HB1      PHE   8  17.692   3.173   4.337
   70    HD1  PHE   8           HD1      PHE   8  14.680   2.321   2.431
   71    HD2  PHE   8           HD2      PHE   8  16.675   2.099   6.171
   72    HE1  PHE   8           HE1      PHE   8  13.117   0.598   3.170
   73    HE2  PHE   8           HE2      PHE   8  15.114   0.386   6.905
   74    HZ   PHE   8           HZ       PHE   8  13.331  -0.379   5.408
   75    H    ARG   9           HN       ARG   9  13.653   5.177   4.321
   76    HA   ARG   9           HA       ARG   9  13.131   5.220   1.548
   77    HB2  ARG   9           HB2      ARG   9  11.374   4.706   3.296
   78    HB3  ARG   9           HB1      ARG   9  11.467   6.425   3.816
   79    HG2  ARG   9           HG2      ARG   9  10.993   5.904   0.875
   80    HG3  ARG   9           HG1      ARG   9   9.650   5.511   2.020
   81    HD2  ARG   9           HD2      ARG   9   9.888   7.882   2.978
   82    HD3  ARG   9           HD1      ARG   9  11.055   8.224   1.627
   83    HE   ARG   9           HE       ARG   9   8.663   7.099   0.498
   84   HH11  ARG   9          HH11      ARG   9   9.854   9.985   2.210
   85   HH12  ARG   9          HH12      ARG   9   8.722  11.075   1.483
   86   HH21  ARG   9          HH21      ARG   9   7.121   8.581  -0.495
   87   HH22  ARG   9          HH22      ARG   9   7.142  10.263  -0.082
   88    H    ASN  10           HN       ASN  10  13.778   7.688   4.068
   89    HA   ASN  10           HA       ASN  10  13.188   9.885   2.463
   90    HB2  ASN  10           HB2      ASN  10  15.210   9.559   4.759
   91    HB3  ASN  10           HB1      ASN  10  14.828  11.146   3.991
   92   HD21  ASN  10          HD21      ASN  10  14.249   9.579   6.762
   93    H    PHE  11           HN       PHE  11  16.132   7.813   2.779
   94    HA   PHE  11           HA       PHE  11  17.679   9.478   1.097
   95    HB2  PHE  11           HB2      PHE  11  17.889   6.556   1.994
   96    HB3  PHE  11           HB1      PHE  11  18.914   7.144   0.625
   97    HD1  PHE  11           HD1      PHE  11  18.644   6.838   4.147
   98    HD2  PHE  11           HD2      PHE  11  20.254   9.291   1.075
   99    HE1  PHE  11           HE1      PHE  11  20.269   7.756   5.731
  100    HE2  PHE  11           HE2      PHE  11  21.873  10.210   2.659
  101    HZ   PHE  11           HZ       PHE  11  21.889   9.444   4.991
  102    H    ILE  12           HN       ILE  12  15.822   6.381   0.526
  103    HA   ILE  12           HA       ILE  12  14.549   7.208  -1.714
  104    HB   ILE  12           HB       ILE  12  16.712   7.429  -2.871
  105   HG12  ILE  12          HG12      ILE  12  15.343   4.844  -3.765
  106   HG13  ILE  12          HG11      ILE  12  14.642   6.484  -4.021
  107   HG21  ILE  12          HG21      ILE  12  18.383   5.741  -2.886
  108   HG22  ILE  12          HG22      ILE  12  17.225   4.442  -2.412
  109   HG23  ILE  12          HG23      ILE  12  17.770   5.654  -1.193
  110   HD11  ILE  12          HD11      ILE  12  15.803   6.420  -5.997
  111   HD12  ILE  12          HD12      ILE  12  16.926   5.133  -5.412
  112   HD13  ILE  12          HD13      ILE  12  17.219   6.858  -4.969
  113    H    LEU  13           HN       LEU  13  13.040   5.647  -2.244
  114    HA   LEU  13           HA       LEU  13  13.582   2.989  -1.148
  115    HB2  LEU  13           HB2      LEU  13  11.880   4.132   0.288
  116    HB3  LEU  13           HB1      LEU  13  10.920   4.529  -1.179
  117    HG   LEU  13           HG       LEU  13  10.603   2.094  -1.630
  118   HD11  LEU  13          HD11      LEU  13  12.494   1.842   0.712
  119   HD12  LEU  13          HD12      LEU  13  12.269   0.781  -0.729
  120   HD13  LEU  13          HD13      LEU  13  11.119   0.674   0.657
  121   HD21  LEU  13          HD21      LEU  13   9.739   2.873   1.225
  122   HD22  LEU  13          HD22      LEU  13   8.939   1.684   0.127
  123   HD23  LEU  13          HD23      LEU  13   8.937   3.441  -0.288
  124    H    GLN  14           HN       GLN  14  13.613   1.483  -2.766
  125    HA   GLN  14           HA       GLN  14  11.805   1.958  -5.004
  126    HB2  GLN  14           HB2      GLN  14  14.787   1.220  -5.206
  127    HB3  GLN  14           HB1      GLN  14  13.615   1.004  -6.557
  128    HG2  GLN  14           HG2      GLN  14  13.196   3.422  -6.677
  129    HG3  GLN  14           HG1      GLN  14  14.190   3.711  -5.195
  130   HE21  GLN  14          HE21      GLN  14  14.576   4.701  -8.030
  131   HE22  GLN  14          HE22      GLN  14  16.162   4.185  -8.491
  132    H    ARG  15           HN       ARG  15  11.940   0.386  -2.441
  133    HA   ARG  15           HA       ARG  15  12.482  -2.260  -3.376
  134    HB2  ARG  15           HB2      ARG  15  11.229  -1.311  -0.741
  135    HB3  ARG  15           HB1      ARG  15  11.657  -3.016  -1.118
  136    HG2  ARG  15           HG2      ARG  15  13.689  -0.703  -1.070
  137    HG3  ARG  15           HG1      ARG  15  13.348  -1.779   0.327
  138    HD2  ARG  15           HD2      ARG  15  14.025  -3.782  -1.113
  139    HD3  ARG  15           HD1      ARG  15  14.508  -2.611  -2.421
  140    HE   ARG  15           HE       ARG  15  15.761  -1.799   0.036
  141   HH11  ARG  15          HH11      ARG  15  15.764  -4.435  -2.361
  142   HH12  ARG  15          HH12      ARG  15  17.431  -4.847  -2.133
  143   HH21  ARG  15          HH21      ARG  15  18.027  -2.360   0.347
  144   HH22  ARG  15          HH22      ARG  15  18.738  -3.648  -0.567
  145    H    LYS  16           HN       LYS  16  10.866  -1.897  -5.238
  146    HA   LYS  16           HA       LYS  16   8.144  -1.671  -4.638
  147    HB2  LYS  16           HB2      LYS  16   9.087  -1.279  -6.938
  148    HB3  LYS  16           HB1      LYS  16   9.509  -3.022  -7.037
  149    HG2  LYS  16           HG2      LYS  16   7.457  -2.641  -8.287
  150    HG3  LYS  16           HG1      LYS  16   7.069  -3.604  -6.822
  151    HD2  LYS  16           HD2      LYS  16   6.152  -1.643  -5.684
  152    HD3  LYS  16           HD1      LYS  16   6.749  -0.545  -6.976
  153    HE2  LYS  16           HE2      LYS  16   4.326  -0.902  -7.285
  154    HE3  LYS  16           HE1      LYS  16   5.200  -1.755  -8.625
  155    HZ1  LYS  16           HZ1      LYS  16   4.897  -3.435  -6.356
  156    HZ2  LYS  16           HZ2      LYS  16   4.365  -3.649  -7.955
  157    HZ3  LYS  16           HZ3      LYS  16   3.394  -2.812  -6.842
  158    H    LYS  17           HN       LYS  17  10.357  -4.479  -5.069
  159    HA   LYS  17           HA       LYS  17   8.123  -6.227  -4.390
  160    HB2  LYS  17           HB2      LYS  17  11.014  -6.839  -5.246
  161    HB3  LYS  17           HB1      LYS  17   9.804  -8.096  -4.809
  162    HG2  LYS  17           HG2      LYS  17   8.326  -7.332  -6.677
  163    HG3  LYS  17           HG1      LYS  17   9.531  -6.073  -7.117
  164    HD2  LYS  17           HD2      LYS  17  11.230  -7.857  -7.569
  165    HD3  LYS  17           HD1      LYS  17  10.026  -9.116  -7.125
  166    HE2  LYS  17           HE2      LYS  17   8.554  -8.393  -9.028
  167    HE3  LYS  17           HE1      LYS  17   9.760  -7.112  -9.469
  168    HZ1  LYS  17           HZ1      LYS  17  10.786  -8.626 -10.640
  169    HZ2  LYS  17           HZ2      LYS  17   9.731  -9.851 -10.121
  170    HZ3  LYS  17           HZ3      LYS  17  11.139  -9.510  -9.235
  Start of MODEL   16
    1    H1   GLU   1           HT1      GLU   1   3.366  -0.772   6.806
    2    H2   GLU   1           HT2      GLU   1   2.558   0.076   5.577
    3    H3   GLU   1           HT3      GLU   1   1.687  -0.943   6.619
    4    HA   GLU   1           HA       GLU   1   2.424   1.770   6.930
    5    HB2  GLU   1           HB2      GLU   1   0.631  -0.208   8.448
    6    HB3  GLU   1           HB1      GLU   1   0.735   1.538   8.878
    7    HG2  GLU   1           HG2      GLU   1  -0.122   2.201   6.648
    8    HG3  GLU   1           HG1      GLU   1  -0.112   0.479   6.097
    9    H    MET   2           HN       MET   2   4.871   0.986   7.389
   10    HA   MET   2           HA       MET   2   5.052   0.947  10.312
   11    HB2  MET   2           HB2      MET   2   6.809  -0.600   8.314
   12    HB3  MET   2           HB1      MET   2   7.219  -0.374  10.050
   13    HG2  MET   2           HG2      MET   2   4.994  -1.493  10.631
   14    HG3  MET   2           HG1      MET   2   4.806  -1.878   8.891
   15    HE1  MET   2           HE1      MET   2   7.229  -4.451   7.919
   16    HE2  MET   2           HE2      MET   2   7.788  -2.745   7.840
   17    HE3  MET   2           HE3      MET   2   6.064  -3.141   7.520
   18    H    ARG   3           HN       ARG   3   6.747   2.275  11.158
   19    HA   ARG   3           HA       ARG   3   7.535   4.307   9.266
   20    HB2  ARG   3           HB2      ARG   3   6.891   4.967  11.631
   21    HB3  ARG   3           HB1      ARG   3   8.313   4.035  12.228
   22    HG2  ARG   3           HG2      ARG   3   9.878   5.523  11.100
   23    HG3  ARG   3           HG1      ARG   3   8.556   6.347  10.204
   24    HD2  ARG   3           HD2      ARG   3   7.669   7.298  12.353
   25    HD3  ARG   3           HD1      ARG   3   8.965   6.420  13.282
   26    HE   ARG   3           HE       ARG   3  10.307   7.917  11.286
   27   HH11  ARG   3          HH11      ARG   3   8.106   8.483  14.028
   28   HH12  ARG   3          HH12      ARG   3   8.730  10.053  14.407
   29   HH21  ARG   3          HH21      ARG   3  11.158  10.052  11.799
   30   HH22  ARG   3          HH22      ARG   3  10.496  10.961  13.116
   31    H    LEU   4           HN       LEU   4   8.760   1.273  10.305
   32    HA   LEU   4           HA       LEU   4  11.461   1.863  10.452
   33    HB2  LEU   4           HB2      LEU   4  10.594  -0.415  11.016
   34    HB3  LEU   4           HB1      LEU   4  10.171  -0.672   9.283
   35    HG   LEU   4           HG       LEU   4  12.542  -0.466   8.629
   36   HD11  LEU   4          HD11      LEU   4  13.397   1.118  10.261
   37   HD12  LEU   4          HD12      LEU   4  14.333  -0.418  10.457
   38   HD13  LEU   4          HD13      LEU   4  13.032   0.003  11.635
   39   HD21  LEU   4          HD21      LEU   4  11.784  -2.726   9.101
   40   HD22  LEU   4          HD22      LEU   4  11.992  -2.495  10.880
   41   HD23  LEU   4          HD23      LEU   4  13.438  -2.549   9.801
   42    H    SER   5           HN       SER   5   9.295   1.372   7.601
   43    HA   SER   5           HA       SER   5  11.529   1.556   5.811
   44    HB2  SER   5           HB2      SER   5   8.509   1.912   5.277
   45    HB3  SER   5           HB1      SER   5   9.786   1.795   4.000
   46    HG   SER   5           HG       SER   5   9.971  -0.226   5.789
   47    H    LYS   6           HN       LYS   6  12.279   3.515   7.195
   48    HA   LYS   6           HA       LYS   6  11.193   5.913   5.919
   49    HB2  LYS   6           HB2      LYS   6  10.338   6.091   8.199
   50    HB3  LYS   6           HB1      LYS   6  11.888   5.439   8.858
   51    HG2  LYS   6           HG2      LYS   6  11.499   7.977   9.153
   52    HG3  LYS   6           HG1      LYS   6  13.071   7.491   8.437
   53    HD2  LYS   6           HD2      LYS   6  11.846   7.855   6.118
   54    HD3  LYS   6           HD1      LYS   6  10.644   8.775   7.079
   55    HE2  LYS   6           HE2      LYS   6  12.006  10.605   7.027
   56    HE3  LYS   6           HE1      LYS   6  13.308   9.674   7.870
   57    H    PHE   7           HN       PHE   7  13.770   4.503   7.951
   58    HA   PHE   7           HA       PHE   7  15.683   6.363   7.542
   59    HB2  PHE   7           HB2      PHE   7  15.928   3.337   7.638
   60    HB3  PHE   7           HB1      PHE   7  17.269   4.489   7.998
   61    HD1  PHE   7           HD1      PHE   7  14.461   2.693   9.176
   62    HD2  PHE   7           HD2      PHE   7  16.944   6.050   9.937
   63    HE1  PHE   7           HE1      PHE   7  13.678   2.747  11.485
   64    HE2  PHE   7           HE2      PHE   7  16.157   6.093  12.254
   65    HZ   PHE   7           HZ       PHE   7  14.527   4.435  12.979
   66    H    PHE   8           HN       PHE   8  14.800   3.587   5.316
   67    HA   PHE   8           HA       PHE   8  16.845   4.630   3.563
   68    HB2  PHE   8           HB2      PHE   8  15.863   2.630   2.037
   69    HB3  PHE   8           HB1      PHE   8  17.122   2.351   3.297
   70    HD1  PHE   8           HD1      PHE   8  13.623   1.873   2.364
   71    HD2  PHE   8           HD2      PHE   8  16.558   1.361   5.388
   72    HE1  PHE   8           HE1      PHE   8  12.165   0.288   3.520
   73    HE2  PHE   8           HE2      PHE   8  15.104  -0.216   6.537
   74    HZ   PHE   8           HZ       PHE   8  12.904  -0.764   5.610
   75    H    ARG   9           HN       ARG   9  13.465   4.931   4.168
   76    HA   ARG   9           HA       ARG   9  12.689   5.399   1.480
   77    HB2  ARG   9           HB2      ARG   9  11.133   4.896   3.515
   78    HB3  ARG   9           HB1      ARG   9  11.389   6.618   3.962
   79    HG2  ARG   9           HG2      ARG   9  10.577   6.058   1.102
   80    HG3  ARG   9           HG1      ARG   9   9.341   5.761   2.387
   81    HD2  ARG   9           HD2      ARG   9   9.822   8.133   3.265
   82    HD3  ARG   9           HD1      ARG   9  10.830   8.386   1.776
   83    HE   ARG   9           HE       ARG   9   8.255   7.365   0.986
   84   HH11  ARG   9          HH11      ARG   9   9.830  10.226   2.403
   85   HH12  ARG   9          HH12      ARG   9   8.679  11.361   1.784
   86   HH21  ARG   9          HH21      ARG   9   6.685   8.908   0.142
   87   HH22  ARG   9          HH22      ARG   9   6.858  10.598   0.476
   88    H    ASN  10           HN       ASN  10  14.236   7.198   4.105
   89    HA   ASN  10           HA       ASN  10  13.805   9.781   3.172
   90    HB2  ASN  10           HB2      ASN  10  16.284   8.556   4.544
   91    HB3  ASN  10           HB1      ASN  10  16.078  10.319   4.257
   92   HD21  ASN  10          HD21      ASN  10  12.956   9.602   4.849
   93    H    PHE  11           HN       PHE  11  16.058   7.154   2.236
   94    HA   PHE  11           HA       PHE  11  17.405   8.820   0.333
   95    HB2  PHE  11           HB2      PHE  11  17.404   5.802   0.955
   96    HB3  PHE  11           HB1      PHE  11  18.158   6.431  -0.567
   97    HD1  PHE  11           HD1      PHE  11  18.672   5.704   2.856
   98    HD2  PHE  11           HD2      PHE  11  19.850   8.356  -0.249
   99    HE1  PHE  11           HE1      PHE  11  20.729   6.225   4.079
  100    HE2  PHE  11           HE2      PHE  11  21.901   8.874   0.974
  101    HZ   PHE  11           HZ       PHE  11  22.349   7.811   3.140
  102    H    ILE  12           HN       ILE  12  15.668   5.671  -0.269
  103    HA   ILE  12           HA       ILE  12  13.719   6.961  -1.873
  104    HB   ILE  12           HB       ILE  12  14.178   5.580  -3.921
  105   HG12  ILE  12          HG12      ILE  12  17.017   5.244  -2.802
  106   HG13  ILE  12          HG11      ILE  12  15.752   3.979  -2.615
  107   HG21  ILE  12          HG21      ILE  12  15.648   7.188  -4.919
  108   HG22  ILE  12          HG22      ILE  12  16.516   7.499  -3.369
  109   HG23  ILE  12          HG23      ILE  12  14.821   8.080  -3.588
  110   HD11  ILE  12          HD11      ILE  12  16.861   3.316  -4.603
  111   HD12  ILE  12          HD12      ILE  12  17.061   5.015  -5.181
  112   HD13  ILE  12          HD13      ILE  12  15.436   4.230  -5.228
  113    H    LEU  13           HN       LEU  13  12.032   5.413  -2.440
  114    HA   LEU  13           HA       LEU  13  12.416   2.831  -1.119
  115    HB2  LEU  13           HB2      LEU  13  10.916   4.302   0.281
  116    HB3  LEU  13           HB1      LEU  13   9.866   4.555  -1.154
  117    HG   LEU  13           HG       LEU  13   9.413   2.094  -1.239
  118   HD11  LEU  13          HD11      LEU  13  10.002   1.023   1.229
  119   HD12  LEU  13          HD12      LEU  13  11.444   2.079   0.987
  120   HD13  LEU  13          HD13      LEU  13  11.038   0.814  -0.233
  121   HD21  LEU  13          HD21      LEU  13   8.625   2.710   1.584
  122   HD22  LEU  13          HD22      LEU  13   7.607   2.357   0.136
  123   HD23  LEU  13          HD23      LEU  13   8.256   4.020   0.401
  124    H    GLN  14           HN       GLN  14  12.355   1.272  -2.693
  125    HA   GLN  14           HA       GLN  14  10.447   1.752  -4.871
  126    HB2  GLN  14           HB2      GLN  14  13.276   0.571  -5.061
  127    HB3  GLN  14           HB1      GLN  14  12.049   0.439  -6.373
  128    HG2  GLN  14           HG2      GLN  14  12.001   2.880  -6.677
  129    HG3  GLN  14           HG1      GLN  14  13.066   3.122  -5.234
  130   HE21  GLN  14          HE21      GLN  14  13.555   3.854  -8.112
  131   HE22  GLN  14          HE22      GLN  14  15.021   3.052  -8.560
  132    H    ARG  15           HN       ARG  15  11.432  -0.026  -2.210
  133    HA   ARG  15           HA       ARG  15  10.908  -1.997  -1.400
  134    HB2  ARG  15           HB2      ARG  15   8.840  -2.190  -3.667
  135    HB3  ARG  15           HB1      ARG  15   8.909  -3.262  -2.227
  136    HG2  ARG  15           HG2      ARG  15   8.479  -0.214  -2.112
  137    HG3  ARG  15           HG1      ARG  15   7.162  -1.438  -2.081
  138    HD2  ARG  15           HD2      ARG  15   8.218  -2.442   0.026
  139    HD3  ARG  15           HD1      ARG  15   9.400  -1.059   0.025
  140    HE   ARG  15           HE       ARG  15   6.711  -0.023  -0.182
  141   HH11  ARG  15          HH11      ARG  15   8.953  -1.662   2.046
  142   HH12  ARG  15          HH12      ARG  15   8.267  -0.985   3.485
  143   HH21  ARG  15          HH21      ARG  15   5.763   0.887   1.777
  144   HH22  ARG  15          HH22      ARG  15   6.415   0.480   3.328
  145    H    LYS  16           HN       LYS  16  12.781  -1.565  -3.842
  146    HA   LYS  16           HA       LYS  16  14.110  -2.819  -5.098
  147    HB2  LYS  16           HB2      LYS  16  13.151  -5.220  -3.434
  148    HB3  LYS  16           HB1      LYS  16  14.607  -5.177  -4.486
  149    HG2  LYS  16           HG2      LYS  16  14.166  -3.436  -1.980
  150    HG3  LYS  16           HG1      LYS  16  15.151  -4.937  -2.049
  151    HD2  LYS  16           HD2      LYS  16  16.640  -3.859  -3.770
  152    HD3  LYS  16           HD1      LYS  16  15.672  -2.349  -3.644
  153    HE2  LYS  16           HE2      LYS  16  16.289  -2.151  -1.213
  154    HE3  LYS  16           HE1      LYS  16  17.272  -3.669  -1.347
  155    HZ1  LYS  16           HZ1      LYS  16  17.961  -1.868  -3.411
  156    HZ2  LYS  16           HZ2      LYS  16  18.916  -2.502  -2.157
  157    HZ3  LYS  16           HZ3      LYS  16  18.035  -1.071  -1.914
  158    H    LYS  17           HN       LYS  17  11.400  -2.285  -5.988
  159    HA   LYS  17           HA       LYS  17  10.006  -2.894  -7.595
  160    HB2  LYS  17           HB2      LYS  17  12.385  -4.661  -8.357
  161    HB3  LYS  17           HB1      LYS  17  10.830  -4.793  -9.248
  162    HG2  LYS  17           HG2      LYS  17  10.928  -2.429  -9.903
  163    HG3  LYS  17           HG1      LYS  17  12.382  -2.161  -8.880
  164    HD2  LYS  17           HD2      LYS  17  13.127  -2.370 -11.177
  165    HD3  LYS  17           HD1      LYS  17  13.626  -3.862 -10.307
  166    HE2  LYS  17           HE2      LYS  17  11.712  -5.118 -11.298
  167    HE3  LYS  17           HE1      LYS  17  11.127  -3.610 -12.117
  168    HZ1  LYS  17           HZ1      LYS  17  13.888  -4.158 -12.634
  169    HZ2  LYS  17           HZ2      LYS  17  12.602  -3.874 -13.704
  170    HZ3  LYS  17           HZ3      LYS  17  12.879  -5.439 -13.106
  Start of MODEL   17
    1    H1   GLU   1           HT1      GLU   1   1.791   0.316   6.089
    2    H2   GLU   1           HT2      GLU   1   3.263  -0.441   5.712
    3    H3   GLU   1           HT3      GLU   1   3.243   0.923   6.726
    4    HA   GLU   1           HA       GLU   1   1.567  -0.720   7.998
    5    HB2  GLU   1           HB2      GLU   1   3.833  -2.338   6.708
    6    HB3  GLU   1           HB1      GLU   1   2.954  -2.902   8.175
    7    HG2  GLU   1           HG2      GLU   1   0.809  -2.971   6.944
    8    HG3  GLU   1           HG1      GLU   1   1.583  -2.245   5.481
    9    H    MET   2           HN       MET   2   5.092  -0.138   7.401
   10    HA   MET   2           HA       MET   2   5.275   0.439  10.271
   11    HB2  MET   2           HB2      MET   2   7.354  -0.970   8.494
   12    HB3  MET   2           HB1      MET   2   7.707  -0.327  10.136
   13    HG2  MET   2           HG2      MET   2   5.845  -1.831  11.031
   14    HG3  MET   2           HG1      MET   2   5.738  -2.567   9.402
   15    HE1  MET   2           HE1      MET   2   8.719  -4.604   8.765
   16    HE2  MET   2           HE2      MET   2   8.815  -2.861   8.343
   17    HE3  MET   2           HE3      MET   2   7.248  -3.732   8.212
   18    H    ARG   3           HN       ARG   3   6.404   2.351  10.766
   19    HA   ARG   3           HA       ARG   3   6.874   4.006   8.427
   20    HB2  ARG   3           HB2      ARG   3   5.697   4.911  10.563
   21    HB3  ARG   3           HB1      ARG   3   7.312   4.805  11.354
   22    HG2  ARG   3           HG2      ARG   3   8.274   6.412   9.769
   23    HG3  ARG   3           HG1      ARG   3   6.784   6.395   8.767
   24    HD2  ARG   3           HD2      ARG   3   6.769   8.447  10.131
   25    HD3  ARG   3           HD1      ARG   3   5.511   7.329  10.825
   26    HE   ARG   3           HE       ARG   3   8.039   6.854  12.139
   27   HH11  ARG   3          HH11      ARG   3   5.441   9.265  11.792
   28   HH12  ARG   3          HH12      ARG   3   5.640   9.937  13.376
   29   HH21  ARG   3          HH21      ARG   3   8.312   7.768  14.295
   30   HH22  ARG   3          HH22      ARG   3   7.302   9.071  14.822
   31    H    LEU   4           HN       LEU   4   8.625   1.770  10.288
   32    HA   LEU   4           HA       LEU   4  11.041   3.080  10.621
   33    HB2  LEU   4           HB2      LEU   4  10.143   0.244  10.532
   34    HB3  LEU   4           HB1      LEU   4  11.813   0.466   9.899
   35    HG   LEU   4           HG       LEU   4  11.669  -0.045  12.369
   36   HD11  LEU   4          HD11      LEU   4  13.113   2.311  11.146
   37   HD12  LEU   4          HD12      LEU   4  13.759   0.836  11.960
   38   HD13  LEU   4          HD13      LEU   4  13.125   2.207  12.948
   39   HD21  LEU   4          HD21      LEU   4   9.558   1.475  12.683
   40   HD22  LEU   4          HD22      LEU   4  10.727   2.847  12.785
   41   HD23  LEU   4          HD23      LEU   4  10.816   1.494  13.976
   42    H    SER   5           HN       SER   5   9.460   1.795   7.694
   43    HA   SER   5           HA       SER   5  11.892   2.054   6.172
   44    HB2  SER   5           HB2      SER   5   8.948   1.697   5.311
   45    HB3  SER   5           HB1      SER   5  10.334   1.784   4.151
   46    HG   SER   5           HG       SER   5   9.852  -0.333   4.620
   47    H    LYS   6           HN       LYS   6  12.141   4.279   7.247
   48    HA   LYS   6           HA       LYS   6  10.874   6.253   5.503
   49    HB2  LYS   6           HB2      LYS   6   9.632   6.632   7.540
   50    HB3  LYS   6           HB1      LYS   6  11.058   6.193   8.548
   51    HG2  LYS   6           HG2      LYS   6  10.437   8.670   8.562
   52    HG3  LYS   6           HG1      LYS   6  12.143   8.310   8.141
   53    HD2  LYS   6           HD2      LYS   6  11.305   8.426   5.643
   54    HD3  LYS   6           HD1      LYS   6   9.862   9.242   6.324
   55    HE2  LYS   6           HE2      LYS   6  11.068  11.188   6.153
   56    HE3  LYS   6           HE1      LYS   6  12.025  10.594   7.568
   57    H    PHE   7           HN       PHE   7  13.232   5.660   8.106
   58    HA   PHE   7           HA       PHE   7  14.918   7.717   7.603
   59    HB2  PHE   7           HB2      PHE   7  15.564   4.852   8.392
   60    HB3  PHE   7           HB1      PHE   7  16.614   6.281   8.724
   61    HD1  PHE   7           HD1      PHE   7  13.983   4.195   9.791
   62    HD2  PHE   7           HD2      PHE   7  15.625   8.091  10.182
   63    HE1  PHE   7           HE1      PHE   7  12.764   4.496  11.879
   64    HE2  PHE   7           HE2      PHE   7  14.402   8.384  12.281
   65    HZ   PHE   7           HZ       PHE   7  12.986   6.574  13.088
   66    H    PHE   8           HN       PHE   8  14.828   4.438   5.979
   67    HA   PHE   8           HA       PHE   8  16.995   5.435   4.338
   68    HB2  PHE   8           HB2      PHE   8  16.402   2.867   3.354
   69    HB3  PHE   8           HB1      PHE   8  17.760   3.298   4.457
   70    HD1  PHE   8           HD1      PHE   8  14.644   1.553   4.088
   71    HD2  PHE   8           HD2      PHE   8  17.390   3.150   6.903
   72    HE1  PHE   8           HE1      PHE   8  13.689   0.127   5.829
   73    HE2  PHE   8           HE2      PHE   8  16.437   1.729   8.637
   74    HZ   PHE   8           HZ       PHE   8  14.586   0.212   8.104
   75    H    ARG   9           HN       ARG   9  13.531   5.012   4.322
   76    HA   ARG   9           HA       ARG   9  13.246   4.663   1.553
   77    HB2  ARG   9           HB2      ARG   9  11.358   4.360   3.208
   78    HB3  ARG   9           HB1      ARG   9  11.370   6.138   3.475
   79    HG2  ARG   9           HG2      ARG   9  10.066   6.470   1.678
   80    HG3  ARG   9           HG1      ARG   9  11.247   5.623   0.608
   81    HD2  ARG   9           HD2      ARG   9  10.191   3.460   1.007
   82    HD3  ARG   9           HD1      ARG   9   9.184   4.128   2.364
   83    HE   ARG   9           HE       ARG   9   7.731   5.121   0.759
   84   HH11  ARG   9          HH11      ARG   9  10.680   3.827  -0.774
   85   HH12  ARG   9          HH12      ARG   9  10.086   3.976  -2.394
   86   HH21  ARG   9          HH21      ARG   9   6.931   5.322  -1.442
   87   HH22  ARG   9          HH22      ARG   9   7.920   4.840  -2.778
   88    H    ASN  10           HN       ASN  10  13.606   7.511   3.715
   89    HA   ASN  10           HA       ASN  10  13.108   9.424   1.746
   90    HB2  ASN  10           HB2      ASN  10  14.906   9.528   4.241
   91    HB3  ASN  10           HB1      ASN  10  14.547  10.965   3.212
   92   HD21  ASN  10          HD21      ASN  10  13.824  10.038   6.135
   93    H    PHE  11           HN       PHE  11  16.074   7.567   2.670
   94    HA   PHE  11           HA       PHE  11  17.746   9.056   0.952
   95    HB2  PHE  11           HB2      PHE  11  17.945   6.295   2.269
   96    HB3  PHE  11           HB1      PHE  11  19.096   6.729   0.941
   97    HD1  PHE  11           HD1      PHE  11  18.603   6.762   4.403
   98    HD2  PHE  11           HD2      PHE  11  20.178   9.119   1.236
   99    HE1  PHE  11           HE1      PHE  11  20.025   7.958   5.997
  100    HE2  PHE  11           HE2      PHE  11  21.595  10.311   2.832
  101    HZ   PHE  11           HZ       PHE  11  21.525   9.735   5.216
  102    H    ILE  12           HN       ILE  12  16.082   5.820   0.601
  103    HA   ILE  12           HA       ILE  12  14.972   6.215  -1.791
  104    HB   ILE  12           HB       ILE  12  17.015   6.646  -2.979
  105   HG12  ILE  12          HG12      ILE  12  17.271   4.573  -4.424
  106   HG13  ILE  12          HG11      ILE  12  16.160   3.719  -3.305
  107   HG21  ILE  12          HG21      ILE  12  18.942   6.032  -1.916
  108   HG22  ILE  12          HG22      ILE  12  18.701   4.394  -2.631
  109   HG23  ILE  12          HG23      ILE  12  18.109   4.746  -0.965
  110   HD11  ILE  12          HD11      ILE  12  15.012   6.317  -4.149
  111   HD12  ILE  12          HD12      ILE  12  14.323   4.656  -4.295
  112   HD13  ILE  12          HD13      ILE  12  15.430   5.290  -5.570
  113    H    LEU  13           HN       LEU  13  13.632   4.484  -2.060
  114    HA   LEU  13           HA       LEU  13  14.625   1.906  -1.207
  115    HB2  LEU  13           HB2      LEU  13  12.412   3.414   0.138
  116    HB3  LEU  13           HB1      LEU  13  11.957   1.757  -0.393
  117    HG   LEU  13           HG       LEU  13  14.384   2.455   1.354
  118   HD11  LEU  13          HD11      LEU  13  11.540   2.084   2.029
  119   HD12  LEU  13          HD12      LEU  13  12.922   2.575   3.080
  120   HD13  LEU  13          HD13      LEU  13  12.561   0.826   2.823
  121   HD21  LEU  13          HD21      LEU  13  13.463  -0.070  -0.003
  122   HD22  LEU  13          HD22      LEU  13  13.923  -0.246   1.734
  123   HD23  LEU  13          HD23      LEU  13  15.107   0.430   0.551
  124    H    GLN  14           HN       GLN  14  13.888   0.269  -2.533
  125    HA   GLN  14           HA       GLN  14  11.712   0.954  -4.339
  126    HB2  GLN  14           HB2      GLN  14  14.465  -0.139  -5.183
  127    HB3  GLN  14           HB1      GLN  14  12.998  -0.221  -6.225
  128    HG2  GLN  14           HG2      GLN  14  12.824   2.282  -6.192
  129    HG3  GLN  14           HG1      GLN  14  14.311   2.365  -5.166
  130   HE21  GLN  14          HE21      GLN  14  15.881   3.174  -6.521
  131   HE22  GLN  14          HE22      GLN  14  16.311   2.503  -8.058
  132    H    ARG  15           HN       ARG  15  11.053  -0.365  -2.277
  133    HA   ARG  15           HA       ARG  15  11.894  -3.014  -2.129
  134    HB2  ARG  15           HB2      ARG  15   9.270  -1.698  -1.233
  135    HB3  ARG  15           HB1      ARG  15   9.684  -3.410  -0.873
  136    HG2  ARG  15           HG2      ARG  15  11.421  -1.012  -0.031
  137    HG3  ARG  15           HG1      ARG  15  10.157  -1.751   1.010
  138    HD2  ARG  15           HD2      ARG  15  12.577  -3.304  -0.151
  139    HD3  ARG  15           HD1      ARG  15  12.487  -2.616   1.530
  140    HE   ARG  15           HE       ARG  15  10.149  -4.188   1.183
  141   HH11  ARG  15          HH11      ARG  15  13.688  -4.575   1.127
  142   HH12  ARG  15          HH12      ARG  15  13.674  -6.213   1.687
  143   HH21  ARG  15          HH21      ARG  15  10.127  -6.417   1.945
  144   HH22  ARG  15          HH22      ARG  15  11.613  -7.278   2.159
  145    H    LYS  16           HN       LYS  16   9.242  -1.359  -3.896
  146    HA   LYS  16           HA       LYS  16   8.617  -3.937  -5.139
  147    HB2  LYS  16           HB2      LYS  16   7.084  -1.297  -4.879
  148    HB3  LYS  16           HB1      LYS  16   6.670  -2.473  -6.174
  149    HG2  LYS  16           HG2      LYS  16   6.728  -3.166  -3.175
  150    HG3  LYS  16           HG1      LYS  16   5.255  -2.639  -4.057
  151    HD2  LYS  16           HD2      LYS  16   6.951  -5.093  -4.840
  152    HD3  LYS  16           HD1      LYS  16   5.515  -5.164  -3.763
  153    HE2  LYS  16           HE2      LYS  16   4.105  -4.183  -5.644
  154    HE3  LYS  16           HE1      LYS  16   5.560  -4.260  -6.722
  155    HZ1  LYS  16           HZ1      LYS  16   3.871  -6.389  -5.677
  156    HZ2  LYS  16           HZ2      LYS  16   5.533  -6.722  -5.777
  157    HZ3  LYS  16           HZ3      LYS  16   4.678  -6.242  -7.163
  158    H    LYS  17           HN       LYS  17  10.575  -3.926  -6.453
  159    HA   LYS  17           HA       LYS  17  10.658  -1.702  -8.349
  160    HB2  LYS  17           HB2      LYS  17  12.803  -2.328  -7.118
  161    HB3  LYS  17           HB1      LYS  17  12.695  -3.956  -7.873
  162    HG2  LYS  17           HG2      LYS  17  12.855  -2.941 -10.137
  163    HG3  LYS  17           HG1      LYS  17  12.905  -1.298  -9.410
  164    HD2  LYS  17           HD2      LYS  17  15.031  -1.879  -8.229
  165    HD3  LYS  17           HD1      LYS  17  14.976  -3.532  -8.933
  166    HE2  LYS  17           HE2      LYS  17  16.538  -2.110 -10.237
  167    HE3  LYS  17           HE1      LYS  17  15.093  -2.502 -11.259
  168    HZ1  LYS  17           HZ1      LYS  17  16.062  -0.060 -10.882
  169    HZ2  LYS  17           HZ2      LYS  17  14.901  -0.091  -9.639
  170    HZ3  LYS  17           HZ3      LYS  17  14.438  -0.392 -11.249
  Start of MODEL   18
    1    H1   GLU   1           HT1      GLU   1   3.984   0.032   4.753
    2    H2   GLU   1           HT2      GLU   1   3.806   1.283   5.889
    3    H3   GLU   1           HT3      GLU   1   2.483   0.809   4.934
    4    HA   GLU   1           HA       GLU   1   1.894  -0.378   6.679
    5    HB2  GLU   1           HB2      GLU   1   2.694  -2.067   4.962
    6    HB3  GLU   1           HB1      GLU   1   4.289  -2.091   5.793
    7    HG2  GLU   1           HG2      GLU   1   3.213  -2.966   7.885
    8    HG3  GLU   1           HG1      GLU   1   1.595  -2.916   7.077
    9    H    MET   2           HN       MET   2   5.481   0.067   6.692
   10    HA   MET   2           HA       MET   2   5.251   0.263   9.609
   11    HB2  MET   2           HB2      MET   2   7.519  -1.045   7.992
   12    HB3  MET   2           HB1      MET   2   7.635  -0.638   9.739
   13    HG2  MET   2           HG2      MET   2   5.591  -2.122  10.133
   14    HG3  MET   2           HG1      MET   2   5.714  -2.641   8.422
   15    HE1  MET   2           HE1      MET   2   7.344  -3.764   7.333
   16    HE2  MET   2           HE2      MET   2   8.696  -4.751   7.988
   17    HE3  MET   2           HE3      MET   2   8.888  -2.973   7.807
   18    H    ARG   3           HN       ARG   3   6.488   1.972  10.529
   19    HA   ARG   3           HA       ARG   3   7.217   3.951   8.561
   20    HB2  ARG   3           HB2      ARG   3   6.081   4.678  10.712
   21    HB3  ARG   3           HB1      ARG   3   7.525   4.088  11.618
   22    HG2  ARG   3           HG2      ARG   3   8.974   5.738  10.565
   23    HG3  ARG   3           HG1      ARG   3   7.696   6.216   9.394
   24    HD2  ARG   3           HD2      ARG   3   6.317   7.171  11.264
   25    HD3  ARG   3           HD1      ARG   3   7.572   6.638  12.469
   26    HE   ARG   3           HE       ARG   3   8.951   8.172  10.528
   27   HH11  ARG   3          HH11      ARG   3   6.265   8.565  12.833
   28   HH12  ARG   3          HH12      ARG   3   6.546  10.252  13.110
   29   HH21  ARG   3          HH21      ARG   3   9.333  10.465  10.903
   30   HH22  ARG   3          HH22      ARG   3   8.320  11.350  11.993
   31    H    LEU   4           HN       LEU   4   8.757   1.316  10.158
   32    HA   LEU   4           HA       LEU   4  11.259   2.435  10.583
   33    HB2  LEU   4           HB2      LEU   4  10.724   0.117  11.361
   34    HB3  LEU   4           HB1      LEU   4  10.623  -0.424   9.644
   35    HG   LEU   4           HG       LEU   4  12.991   0.144   9.274
   36   HD11  LEU   4          HD11      LEU   4  13.322   2.058  10.718
   37   HD12  LEU   4          HD12      LEU   4  14.444   0.765  11.298
   38   HD13  LEU   4          HD13      LEU   4  12.917   1.107  12.198
   39   HD21  LEU   4          HD21      LEU   4  12.357  -2.140  10.156
   40   HD22  LEU   4          HD22      LEU   4  12.707  -1.559  11.828
   41   HD23  LEU   4          HD23      LEU   4  14.030  -1.635  10.603
   42    H    SER   5           HN       SER   5   9.682   1.181   7.583
   43    HA   SER   5           HA       SER   5  12.093   1.571   6.088
   44    HB2  SER   5           HB2      SER   5   9.171   1.238   5.154
   45    HB3  SER   5           HB1      SER   5  10.605   1.275   4.051
   46    HG   SER   5           HG       SER   5   9.981  -0.826   4.567
   47    H    LYS   6           HN       LYS   6  12.133   3.813   7.357
   48    HA   LYS   6           HA       LYS   6  10.894   5.774   5.550
   49    HB2  LYS   6           HB2      LYS   6   9.798   6.010   7.772
   50    HB3  LYS   6           HB1      LYS   6  11.422   5.969   8.569
   51    HG2  LYS   6           HG2      LYS   6  11.218   8.059   6.450
   52    HG3  LYS   6           HG1      LYS   6  10.002   8.282   7.748
   53    HD2  LYS   6           HD2      LYS   6  11.682   8.533   9.431
   54    HD3  LYS   6           HD1      LYS   6  12.962   7.810   8.399
   55    HE2  LYS   6           HE2      LYS   6  11.567  10.387   7.485
   56    HE3  LYS   6           HE1      LYS   6  12.857  10.464   8.747
   57    H    PHE   7           HN       PHE   7  13.448   5.038   7.936
   58    HA   PHE   7           HA       PHE   7  15.005   7.216   7.480
   59    HB2  PHE   7           HB2      PHE   7  15.796   4.336   8.046
   60    HB3  PHE   7           HB1      PHE   7  16.843   5.774   8.356
   61    HD1  PHE   7           HD1      PHE   7  14.257   3.636   9.496
   62    HD2  PHE   7           HD2      PHE   7  16.034   7.456  10.011
   63    HE1  PHE   7           HE1      PHE   7  13.194   3.835  11.680
   64    HE2  PHE   7           HE2      PHE   7  14.961   7.646  12.204
   65    HZ   PHE   7           HZ       PHE   7  13.552   5.822  12.990
   66    H    PHE   8           HN       PHE   8  14.878   4.091   5.576
   67    HA   PHE   8           HA       PHE   8  16.943   5.239   3.936
   68    HB2  PHE   8           HB2      PHE   8  16.181   3.012   2.496
   69    HB3  PHE   8           HB1      PHE   8  17.498   3.035   3.722
   70    HD1  PHE   8           HD1      PHE   8  14.262   1.753   2.832
   71    HD2  PHE   8           HD2      PHE   8  16.962   2.386   6.047
   72    HE1  PHE   8           HE1      PHE   8  13.088   0.067   4.157
   73    HE2  PHE   8           HE2      PHE   8  15.788   0.710   7.366
   74    HZ   PHE   8           HZ       PHE   8  13.848  -0.458   6.426
   75    H    ARG   9           HN       ARG   9  13.469   5.053   4.110
   76    HA   ARG   9           HA       ARG   9  12.968   5.370   1.359
   77    HB2  ARG   9           HB2      ARG   9  11.241   4.816   3.208
   78    HB3  ARG   9           HB1      ARG   9  11.306   6.562   3.633
   79    HG2  ARG   9           HG2      ARG   9   9.940   7.114   1.936
   80    HG3  ARG   9           HG1      ARG   9  10.959   6.233   0.736
   81    HD2  ARG   9           HD2      ARG   9   8.875   5.065   0.612
   82    HD3  ARG   9           HD1      ARG   9   9.821   4.058   1.793
   83    HE   ARG   9           HE       ARG   9   8.416   4.831   3.548
   84   HH11  ARG   9          HH11      ARG   9   7.823   6.606   0.510
   85   HH12  ARG   9          HH12      ARG   9   6.359   7.352   1.055
   86   HH21  ARG   9          HH21      ARG   9   6.429   5.849   4.283
   87   HH22  ARG   9          HH22      ARG   9   5.554   6.915   3.237
   88    H    ASN  10           HN       ASN  10  13.695   7.538   4.097
   89    HA   ASN  10           HA       ASN  10  13.222   9.953   2.805
   90    HB2  ASN  10           HB2      ASN  10  15.230   9.183   5.012
   91    HB3  ASN  10           HB1      ASN  10  14.956  10.882   4.480
   92   HD21  ASN  10          HD21      ASN  10  14.469   9.482   7.156
   93    H    PHE  11           HN       PHE  11  16.051   7.707   2.843
   94    HA   PHE  11           HA       PHE  11  17.682   9.504   1.360
   95    HB2  PHE  11           HB2      PHE  11  17.817   6.503   2.008
   96    HB3  PHE  11           HB1      PHE  11  18.899   7.202   0.736
   97    HD1  PHE  11           HD1      PHE  11  18.610   6.450   4.147
   98    HD2  PHE  11           HD2      PHE  11  20.148   9.388   1.492
   99    HE1  PHE  11           HE1      PHE  11  20.193   7.177   5.866
  100    HE2  PHE  11           HE2      PHE  11  21.728  10.112   3.212
  101    HZ   PHE  11           HZ       PHE  11  21.757   9.009   5.403
  102    H    ILE  12           HN       ILE  12  16.020   6.384   0.505
  103    HA   ILE  12           HA       ILE  12  14.599   7.248  -1.636
  104    HB   ILE  12           HB       ILE  12  16.027   5.935  -3.451
  105   HG12  ILE  12          HG12      ILE  12  18.508   7.167  -2.881
  106   HG13  ILE  12          HG11      ILE  12  18.024   6.441  -1.312
  107   HG21  ILE  12          HG21      ILE  12  17.147   8.660  -3.368
  108   HG22  ILE  12          HG22      ILE  12  15.400   8.660  -2.921
  109   HG23  ILE  12          HG23      ILE  12  15.929   7.939  -4.486
  110   HD11  ILE  12          HD11      ILE  12  18.733   5.090  -3.918
  111   HD12  ILE  12          HD12      ILE  12  17.386   4.348  -2.972
  112   HD13  ILE  12          HD13      ILE  12  19.012   4.556  -2.216
  113    H    LEU  13           HN       LEU  13  13.231   5.506  -2.137
  114    HA   LEU  13           HA       LEU  13  14.288   2.877  -1.480
  115    HB2  LEU  13           HB2      LEU  13  12.896   3.615   0.492
  116    HB3  LEU  13           HB1      LEU  13  11.530   3.947  -0.629
  117    HG   LEU  13           HG       LEU  13  11.489   1.542  -1.291
  118   HD11  LEU  13          HD11      LEU  13  13.494   0.454  -1.002
  119   HD12  LEU  13          HD12      LEU  13  12.828   0.086   0.634
  120   HD13  LEU  13          HD13      LEU  13  13.970   1.466   0.414
  121   HD21  LEU  13          HD21      LEU  13   9.944   2.237   0.453
  122   HD22  LEU  13          HD22      LEU  13  11.231   2.154   1.716
  123   HD23  LEU  13          HD23      LEU  13  10.631   0.640   0.938
  124    H    GLN  14           HN       GLN  14  13.957   1.505  -3.184
  125    HA   GLN  14           HA       GLN  14  11.672   2.095  -4.896
  126    HB2  GLN  14           HB2      GLN  14  14.564   1.608  -5.834
  127    HB3  GLN  14           HB1      GLN  14  13.128   1.486  -6.915
  128    HG2  GLN  14           HG2      GLN  14  12.596   3.864  -6.603
  129    HG3  GLN  14           HG1      GLN  14  13.882   4.031  -5.343
  130   HE21  GLN  14          HE21      GLN  14  13.614   5.435  -7.988
  131   HE22  GLN  14          HE22      GLN  14  15.068   5.086  -8.861
  132    H    ARG  15           HN       ARG  15  12.168   0.295  -2.677
  133    HA   ARG  15           HA       ARG  15  12.830  -2.202  -3.896
  134    HB2  ARG  15           HB2      ARG  15  11.926  -1.374  -1.104
  135    HB3  ARG  15           HB1      ARG  15  11.889  -3.105  -1.588
  136    HG2  ARG  15           HG2      ARG  15  14.419  -1.394  -1.889
  137    HG3  ARG  15           HG1      ARG  15  14.008  -2.221  -0.348
  138    HD2  ARG  15           HD2      ARG  15  14.230  -3.705  -3.058
  139    HD3  ARG  15           HD1      ARG  15  15.594  -3.552  -1.863
  140    HE   ARG  15           HE       ARG  15  13.337  -4.525  -0.423
  141   HH11  ARG  15          HH11      ARG  15  15.447  -5.470  -3.133
  142   HH12  ARG  15          HH12      ARG  15  15.300  -7.174  -2.857
  143   HH21  ARG  15          HH21      ARG  15  13.139  -6.842  -0.044
  144   HH22  ARG  15          HH22      ARG  15  13.966  -7.966  -1.071
  145    H    LYS  16           HN       LYS  16  11.090  -1.841  -5.631
  146    HA   LYS  16           HA       LYS  16   8.406  -2.217  -4.600
  147    HB2  LYS  16           HB2      LYS  16   9.388  -2.154  -7.515
  148    HB3  LYS  16           HB1      LYS  16   7.675  -2.090  -6.970
  149    HG2  LYS  16           HG2      LYS  16   9.822   0.040  -6.377
  150    HG3  LYS  16           HG1      LYS  16   8.563   0.151  -7.653
  151    HD2  LYS  16           HD2      LYS  16   6.781   0.010  -5.876
  152    HD3  LYS  16           HD1      LYS  16   8.062  -0.042  -4.616
  153    HE2  LYS  16           HE2      LYS  16   8.874   2.225  -5.341
  154    HE3  LYS  16           HE1      LYS  16   7.575   2.278  -6.604
  155    HZ1  LYS  16           HZ1      LYS  16   6.172   2.953  -5.089
  156    HZ2  LYS  16           HZ2      LYS  16   7.418   3.005  -3.936
  157    HZ3  LYS  16           HZ3      LYS  16   6.467   1.607  -4.098
  158    H    LYS  17           HN       LYS  17   8.726  -4.314  -3.590
  159    HA   LYS  17           HA       LYS  17   9.105  -6.431  -5.597
  160    HB2  LYS  17           HB2      LYS  17   9.779  -6.264  -2.622
  161    HB3  LYS  17           HB1      LYS  17   9.430  -7.862  -3.371
  162    HG2  LYS  17           HG2      LYS  17  11.475  -5.986  -4.651
  163    HG3  LYS  17           HG1      LYS  17  11.927  -6.973  -3.219
  164    HD2  LYS  17           HD2      LYS  17  11.200  -9.050  -4.446
  165    HD3  LYS  17           HD1      LYS  17  10.805  -8.049  -5.884
  166    HE2  LYS  17           HE2      LYS  17  13.621  -8.138  -4.612
  167    HE3  LYS  17           HE1      LYS  17  13.094  -9.211  -5.975
  168    HZ1  LYS  17           HZ1      LYS  17  13.507  -7.581  -7.347
  169    HZ2  LYS  17           HZ2      LYS  17  14.020  -6.584  -6.071
  170    HZ3  LYS  17           HZ3      LYS  17  12.396  -6.560  -6.569
  Start of MODEL   19
    1    H1   GLU   1           HT1      GLU   1   3.640   0.734   6.494
    2    H2   GLU   1           HT2      GLU   1   2.173   0.221   5.811
    3    H3   GLU   1           HT3      GLU   1   3.550  -0.768   5.705
    4    HA   GLU   1           HA       GLU   1   1.659  -0.437   7.833
    5    HB2  GLU   1           HB2      GLU   1   3.791  -2.569   7.228
    6    HB3  GLU   1           HB1      GLU   1   2.454  -2.747   8.417
    7    HG2  GLU   1           HG2      GLU   1   2.043  -2.322   5.376
    8    HG3  GLU   1           HG1      GLU   1   1.993  -3.922   6.214
    9    H    MET   2           HN       MET   2   5.253  -0.400   7.462
   10    HA   MET   2           HA       MET   2   5.347   0.349  10.303
   11    HB2  MET   2           HB2      MET   2   7.561  -0.950   8.605
   12    HB3  MET   2           HB1      MET   2   7.712  -0.462  10.330
   13    HG2  MET   2           HG2      MET   2   5.798  -2.602   9.224
   14    HG3  MET   2           HG1      MET   2   7.358  -2.917  10.045
   15    HE1  MET   2           HE1      MET   2   4.721  -4.239  12.551
   16    HE2  MET   2           HE2      MET   2   6.099  -4.583  11.448
   17    HE3  MET   2           HE3      MET   2   4.490  -4.158  10.769
   18    H    ARG   3           HN       ARG   3   6.393   2.287  10.801
   19    HA   ARG   3           HA       ARG   3   6.911   3.940   8.485
   20    HB2  ARG   3           HB2      ARG   3   5.744   4.858  10.605
   21    HB3  ARG   3           HB1      ARG   3   7.340   4.699  11.428
   22    HG2  ARG   3           HG2      ARG   3   8.378   6.299   9.887
   23    HG3  ARG   3           HG1      ARG   3   6.913   6.336   8.851
   24    HD2  ARG   3           HD2      ARG   3   5.603   7.410  10.713
   25    HD3  ARG   3           HD1      ARG   3   7.072   7.339  11.784
   26    HE   ARG   3           HE       ARG   3   8.020   9.132  10.538
   27   HH11  ARG   3          HH11      ARG   3   5.136   7.804   8.910
   28   HH12  ARG   3          HH12      ARG   3   5.040   9.063   7.724
   29   HH21  ARG   3          HH21      ARG   3   7.885  10.835   8.925
   30   HH22  ARG   3          HH22      ARG   3   6.630  10.813   7.733
   31    H    LEU   4           HN       LEU   4   8.658   1.703  10.380
   32    HA   LEU   4           HA       LEU   4  11.081   2.990  10.691
   33    HB2  LEU   4           HB2      LEU   4  10.140   0.258  10.861
   34    HB3  LEU   4           HB1      LEU   4  11.605   0.259   9.817
   35    HG   LEU   4           HG       LEU   4  12.121  -0.122  12.224
   36   HD11  LEU   4          HD11      LEU   4  13.935   1.664  12.427
   37   HD12  LEU   4          HD12      LEU   4  13.228   2.471  10.975
   38   HD13  LEU   4          HD13      LEU   4  13.900   0.801  10.843
   39   HD21  LEU   4          HD21      LEU   4  11.630   1.354  13.969
   40   HD22  LEU   4          HD22      LEU   4  10.181   1.600  12.923
   41   HD23  LEU   4          HD23      LEU   4  11.534   2.794  12.887
   42    H    SER   5           HN       SER   5   9.494   1.722   7.758
   43    HA   SER   5           HA       SER   5  11.933   2.001   6.243
   44    HB2  SER   5           HB2      SER   5   9.001   1.488   5.441
   45    HB3  SER   5           HB1      SER   5  10.313   1.744   4.221
   46    HG   SER   5           HG       SER   5   9.738  -0.478   4.976
   47    H    LYS   6           HN       LYS   6  12.162   4.244   7.264
   48    HA   LYS   6           HA       LYS   6  10.850   6.163   5.495
   49    HB2  LYS   6           HB2      LYS   6   9.578   6.559   7.504
   50    HB3  LYS   6           HB1      LYS   6  10.989   6.135   8.539
   51    HG2  LYS   6           HG2      LYS   6  10.340   8.603   8.541
   52    HG3  LYS   6           HG1      LYS   6  12.058   8.261   8.161
   53    HD2  LYS   6           HD2      LYS   6  11.266   8.380   5.639
   54    HD3  LYS   6           HD1      LYS   6   9.815   9.198   6.302
   55    HE2  LYS   6           HE2      LYS   6  11.031  11.142   6.172
   56    HE3  LYS   6           HE1      LYS   6  11.965  10.530   7.593
   57    H    PHE   7           HN       PHE   7  13.211   5.659   8.120
   58    HA   PHE   7           HA       PHE   7  14.838   7.761   7.613
   59    HB2  PHE   7           HB2      PHE   7  15.570   4.918   8.409
   60    HB3  PHE   7           HB1      PHE   7  16.576   6.380   8.739
   61    HD1  PHE   7           HD1      PHE   7  14.013   4.215   9.810
   62    HD2  PHE   7           HD2      PHE   7  15.521   8.166  10.189
   63    HE1  PHE   7           HE1      PHE   7  12.781   4.482  11.896
   64    HE2  PHE   7           HE2      PHE   7  14.285   8.425  12.285
   65    HZ   PHE   7           HZ       PHE   7  12.930   6.573  13.097
   66    H    PHE   8           HN       PHE   8  14.849   4.478   5.998
   67    HA   PHE   8           HA       PHE   8  16.982   5.527   4.354
   68    HB2  PHE   8           HB2      PHE   8  16.653   3.032   3.306
   69    HB3  PHE   8           HB1      PHE   8  17.745   3.381   4.695
   70    HD1  PHE   8           HD1      PHE   8  14.634   1.841   3.613
   71    HD2  PHE   8           HD2      PHE   8  17.055   2.881   6.939
   72    HE1  PHE   8           HE1      PHE   8  13.369   0.297   5.024
   73    HE2  PHE   8           HE2      PHE   8  15.795   1.342   8.341
   74    HZ   PHE   8           HZ       PHE   8  13.951   0.039   7.388
   75    H    ARG   9           HN       ARG   9  13.552   5.198   4.369
   76    HA   ARG   9           HA       ARG   9  13.225   4.798   1.591
   77    HB2  ARG   9           HB2      ARG   9  11.380   4.529   3.352
   78    HB3  ARG   9           HB1      ARG   9  11.360   6.323   3.476
   79    HG2  ARG   9           HG2      ARG   9  11.145   5.135   0.703
   80    HG3  ARG   9           HG1      ARG   9   9.732   4.927   1.812
   81    HD2  ARG   9           HD2      ARG   9   9.817   7.470   2.231
   82    HD3  ARG   9           HD1      ARG   9  11.045   7.558   0.894
   83    HE   ARG   9           HE       ARG   9   8.779   6.077  -0.066
   84   HH11  ARG   9          HH11      ARG   9   9.720   9.335   1.020
   85   HH12  ARG   9          HH12      ARG   9   8.579  10.168   0.017
   86   HH21  ARG   9          HH21      ARG   9   7.226   7.207  -1.432
   87   HH22  ARG   9          HH22      ARG   9   7.136   8.935  -1.401
   88    H    ASN  10           HN       ASN  10  13.616   7.623   3.763
   89    HA   ASN  10           HA       ASN  10  13.123   9.543   1.802
   90    HB2  ASN  10           HB2      ASN  10  14.921   9.633   4.297
   91    HB3  ASN  10           HB1      ASN  10  14.572  11.075   3.269
   92   HD21  ASN  10          HD21      ASN  10  13.764   9.875   6.171
   93    H    PHE  11           HN       PHE  11  16.069   7.645   2.691
   94    HA   PHE  11           HA       PHE  11  17.740   9.113   0.952
   95    HB2  PHE  11           HB2      PHE  11  17.909   6.333   2.235
   96    HB3  PHE  11           HB1      PHE  11  19.053   6.773   0.904
   97    HD1  PHE  11           HD1      PHE  11  18.592   6.756   4.371
   98    HD2  PHE  11           HD2      PHE  11  20.175   9.142   1.231
   99    HE1  PHE  11           HE1      PHE  11  20.043   7.905   5.974
  100    HE2  PHE  11           HE2      PHE  11  21.622  10.288   2.835
  101    HZ   PHE  11           HZ       PHE  11  21.562   9.672   5.209
  102    H    ILE  12           HN       ILE  12  16.020   5.897   0.612
  103    HA   ILE  12           HA       ILE  12  14.831   6.320  -1.729
  104    HB   ILE  12           HB       ILE  12  16.905   6.775  -2.936
  105   HG12  ILE  12          HG12      ILE  12  16.966   4.794  -4.520
  106   HG13  ILE  12          HG11      ILE  12  15.840   3.943  -3.413
  107   HG21  ILE  12          HG21      ILE  12  18.842   5.271  -2.863
  108   HG22  ILE  12          HG22      ILE  12  17.942   4.067  -1.869
  109   HG23  ILE  12          HG23      ILE  12  18.392   5.664  -1.163
  110   HD11  ILE  12          HD11      ILE  12  15.141   5.708  -5.544
  111   HD12  ILE  12          HD12      ILE  12  14.834   6.655  -4.039
  112   HD13  ILE  12          HD13      ILE  12  14.038   5.053  -4.275
  113    H    LEU  13           HN       LEU  13  13.557   4.546  -2.129
  114    HA   LEU  13           HA       LEU  13  14.541   1.999  -1.161
  115    HB2  LEU  13           HB2      LEU  13  12.127   3.470  -0.145
  116    HB3  LEU  13           HB1      LEU  13  11.822   1.769  -0.643
  117    HG   LEU  13           HG       LEU  13  14.008   2.653   1.321
  118   HD11  LEU  13          HD11      LEU  13  12.520   2.564   3.034
  119   HD12  LEU  13          HD12      LEU  13  11.805   1.017   2.441
  120   HD13  LEU  13          HD13      LEU  13  11.217   2.592   1.787
  121   HD21  LEU  13          HD21      LEU  13  13.651   0.006   1.857
  122   HD22  LEU  13          HD22      LEU  13  14.824   0.599   0.623
  123   HD23  LEU  13          HD23      LEU  13  13.204  -0.010   0.108
  124    H    GLN  14           HN       GLN  14  13.801   0.251  -2.411
  125    HA   GLN  14           HA       GLN  14  12.001   0.964  -4.588
  126    HB2  GLN  14           HB2      GLN  14  14.721  -0.448  -4.872
  127    HB3  GLN  14           HB1      GLN  14  13.438  -0.501  -6.136
  128    HG2  GLN  14           HG2      GLN  14  13.546   1.931  -6.458
  129    HG3  GLN  14           HG1      GLN  14  14.677   2.113  -5.060
  130   HE21  GLN  14          HE21      GLN  14  15.114   2.812  -7.943
  131   HE22  GLN  14          HE22      GLN  14  16.504   1.913  -8.449
  132    H    ARG  15           HN       ARG  15  10.969  -0.088  -2.488
  133    HA   ARG  15           HA       ARG  15  11.439  -2.797  -2.073
  134    HB2  ARG  15           HB2      ARG  15   8.913  -1.122  -1.590
  135    HB3  ARG  15           HB1      ARG  15   9.084  -2.831  -1.057
  136    HG2  ARG  15           HG2      ARG  15  10.927  -0.524  -0.180
  137    HG3  ARG  15           HG1      ARG  15   9.529  -1.144   0.766
  138    HD2  ARG  15           HD2      ARG  15  10.655  -3.461   0.768
  139    HD3  ARG  15           HD1      ARG  15  12.118  -2.669   0.031
  140    HE   ARG  15           HE       ARG  15  11.308  -1.170   2.359
  141   HH11  ARG  15          HH11      ARG  15  12.694  -4.292   1.350
  142   HH12  ARG  15          HH12      ARG  15  13.589  -4.542   2.812
  143   HH21  ARG  15          HH21      ARG  15  12.520  -1.511   4.350
  144   HH22  ARG  15          HH22      ARG  15  13.488  -2.933   4.546
  145    H    LYS  16           HN       LYS  16   9.239  -0.986  -4.262
  146    HA   LYS  16           HA       LYS  16   8.235  -3.527  -5.262
  147    HB2  LYS  16           HB2      LYS  16   7.556  -0.669  -6.178
  148    HB3  LYS  16           HB1      LYS  16   6.701  -2.174  -6.665
  149    HG2  LYS  16           HG2      LYS  16   6.825  -1.029  -3.807
  150    HG3  LYS  16           HG1      LYS  16   5.444  -0.865  -4.943
  151    HD2  LYS  16           HD2      LYS  16   5.214  -3.372  -4.994
  152    HD3  LYS  16           HD1      LYS  16   6.565  -3.508  -3.817
  153    HE2  LYS  16           HE2      LYS  16   5.229  -2.196  -2.132
  154    HE3  LYS  16           HE1      LYS  16   3.864  -2.083  -3.320
  155    HZ1  LYS  16           HZ1      LYS  16   4.606  -4.749  -3.176
  156    HZ2  LYS  16           HZ2      LYS  16   3.201  -4.012  -2.571
  157    HZ3  LYS  16           HZ3      LYS  16   4.564  -4.185  -1.575
  158    H    LYS  17           HN       LYS  17  10.255  -4.304  -6.177
  159    HA   LYS  17           HA       LYS  17  11.352  -2.611  -8.269
  160    HB2  LYS  17           HB2      LYS  17  12.846  -3.931  -6.603
  161    HB3  LYS  17           HB1      LYS  17  12.268  -5.418  -7.431
  162    HG2  LYS  17           HG2      LYS  17  13.221  -4.678  -9.566
  163    HG3  LYS  17           HG1      LYS  17  13.648  -3.076  -8.871
  164    HD2  LYS  17           HD2      LYS  17  15.678  -4.384  -8.934
  165    HD3  LYS  17           HD1      LYS  17  15.169  -4.288  -7.214
  166    HE2  LYS  17           HE2      LYS  17  14.222  -6.592  -7.330
  167    HE3  LYS  17           HE1      LYS  17  14.635  -6.689  -9.093
  168    HZ1  LYS  17           HZ1      LYS  17  16.639  -7.318  -8.540
  169    HZ2  LYS  17           HZ2      LYS  17  16.233  -7.271  -6.891
  170    HZ3  LYS  17           HZ3      LYS  17  16.908  -5.904  -7.639
  Start of MODEL   20
    1    H1   GLU   1           HT1      GLU   1   0.876  -1.354   9.119
    2    H2   GLU   1           HT2      GLU   1   2.457  -1.131   8.541
    3    H3   GLU   1           HT3      GLU   1   1.137  -0.521   7.663
    4    HA   GLU   1           HA       GLU   1   1.573   1.384   8.650
    5    HB2  GLU   1           HB2      GLU   1   0.511  -0.127  11.112
    6    HB3  GLU   1           HB1      GLU   1   0.515   1.660  10.913
    7    HG2  GLU   1           HG2      GLU   1  -1.057  -0.336   9.142
    8    HG3  GLU   1           HG1      GLU   1  -1.752   0.695  10.453
    9    H    MET   2           HN       MET   2   4.039   0.581   8.414
   10    HA   MET   2           HA       MET   2   5.159   0.801  11.122
   11    HB2  MET   2           HB2      MET   2   6.395  -0.600   8.678
   12    HB3  MET   2           HB1      MET   2   7.183  -0.411  10.284
   13    HG2  MET   2           HG2      MET   2   4.593  -1.978   9.728
   14    HG3  MET   2           HG1      MET   2   6.224  -2.693   9.924
   15    HE1  MET   2           HE1      MET   2   4.300  -3.886  13.068
   16    HE2  MET   2           HE2      MET   2   5.171  -4.309  11.554
   17    HE3  MET   2           HE3      MET   2   3.563  -3.511  11.471
   18    H    ARG   3           HN       ARG   3   6.678   2.438  11.424
   19    HA   ARG   3           HA       ARG   3   6.958   4.199   9.113
   20    HB2  ARG   3           HB2      ARG   3   6.339   5.107  11.481
   21    HB3  ARG   3           HB1      ARG   3   8.033   4.696  11.938
   22    HG2  ARG   3           HG2      ARG   3   8.935   6.251  10.264
   23    HG3  ARG   3           HG1      ARG   3   7.300   6.546   9.584
   24    HD2  ARG   3           HD2      ARG   3   7.886   8.460  11.014
   25    HD3  ARG   3           HD1      ARG   3   6.623   7.496  11.902
   26    HE   ARG   3           HE       ARG   3   9.244   6.538  12.643
   27   HH11  ARG   3          HH11      ARG   3   7.078   9.349  12.944
   28   HH12  ARG   3          HH12      ARG   3   7.699   9.859  14.479
   29   HH21  ARG   3          HH21      ARG   3  10.088   7.229  14.731
   30   HH22  ARG   3          HH22      ARG   3   9.440   8.632  15.511
   31    H    LEU   4           HN       LEU   4   8.524   1.527  10.391
   32    HA   LEU   4           HA       LEU   4  11.166   2.342  10.485
   33    HB2  LEU   4           HB2      LEU   4   9.803  -0.163  10.592
   34    HB3  LEU   4           HB1      LEU   4  10.924  -0.302   9.192
   35    HG   LEU   4           HG       LEU   4  11.977  -1.104  11.270
   36   HD11  LEU   4          HD11      LEU   4  13.326   0.067   9.427
   37   HD12  LEU   4          HD12      LEU   4  14.100   0.055  11.058
   38   HD13  LEU   4          HD13      LEU   4  13.301   1.554  10.448
   39   HD21  LEU   4          HD21      LEU   4  12.140   1.680  12.472
   40   HD22  LEU   4          HD22      LEU   4  12.136   0.063  13.272
   41   HD23  LEU   4          HD23      LEU   4  10.593   0.771  12.661
   42    H    SER   5           HN       SER   5   8.991   1.770   7.710
   43    HA   SER   5           HA       SER   5  11.205   1.860   5.870
   44    HB2  SER   5           HB2      SER   5   8.159   2.095   5.417
   45    HB3  SER   5           HB1      SER   5   9.390   2.074   4.090
   46    HG   SER   5           HG       SER   5   8.402   0.036   4.617
   47    H    LYS   6           HN       LYS   6  12.012   3.863   7.073
   48    HA   LYS   6           HA       LYS   6  10.895   6.191   5.724
   49    HB2  LYS   6           HB2      LYS   6   9.878   6.464   7.918
   50    HB3  LYS   6           HB1      LYS   6  11.355   5.818   8.723
   51    HG2  LYS   6           HG2      LYS   6  10.979   8.347   8.949
   52    HG3  LYS   6           HG1      LYS   6  12.594   7.849   8.345
   53    HD2  LYS   6           HD2      LYS   6  11.594   8.210   5.954
   54    HD3  LYS   6           HD1      LYS   6  10.253   9.067   6.781
   55    HE2  LYS   6           HE2      LYS   6  11.569  10.941   6.617
   56    HE3  LYS   6           HE1      LYS   6  12.564  10.220   7.944
   57    H    PHE   7           HN       PHE   7  13.330   4.975   8.025
   58    HA   PHE   7           HA       PHE   7  15.260   6.824   7.571
   59    HB2  PHE   7           HB2      PHE   7  15.528   3.829   8.016
   60    HB3  PHE   7           HB1      PHE   7  16.807   5.048   8.376
   61    HD1  PHE   7           HD1      PHE   7  13.918   3.315   9.455
   62    HD2  PHE   7           HD2      PHE   7  16.297   6.766  10.121
   63    HE1  PHE   7           HE1      PHE   7  12.930   3.564  11.668
   64    HE2  PHE   7           HE2      PHE   7  15.305   7.008  12.345
   65    HZ   PHE   7           HZ       PHE   7  13.630   5.397  13.074
   66    H    PHE   8           HN       PHE   8  14.565   3.777   5.667
   67    HA   PHE   8           HA       PHE   8  16.693   4.644   3.909
   68    HB2  PHE   8           HB2      PHE   8  16.111   2.388   2.682
   69    HB3  PHE   8           HB1      PHE   8  17.041   2.334   4.224
   70    HD1  PHE   8           HD1      PHE   8  13.799   1.724   2.624
   71    HD2  PHE   8           HD2      PHE   8  16.064   1.525   6.207
   72    HE1  PHE   8           HE1      PHE   8  12.108   0.272   3.619
   73    HE2  PHE   8           HE2      PHE   8  14.377   0.078   7.195
   74    HZ   PHE   8           HZ       PHE   8  12.394  -0.560   5.908
   75    H    ARG   9           HN       ARG   9  13.269   4.815   4.252
   76    HA   ARG   9           HA       ARG   9  12.631   4.736   1.507
   77    HB2  ARG   9           HB2      ARG   9  10.961   4.589   3.466
   78    HB3  ARG   9           HB1      ARG   9  11.191   6.361   3.665
   79    HG2  ARG   9           HG2      ARG   9   9.715   6.788   2.027
   80    HG3  ARG   9           HG1      ARG   9  10.661   5.795   0.856
   81    HD2  ARG   9           HD2      ARG   9   9.417   3.794   1.378
   82    HD3  ARG   9           HD1      ARG   9   8.734   4.514   2.898
   83    HE   ARG   9           HE       ARG   9   7.168   5.754   1.585
   84   HH11  ARG   9          HH11      ARG   9   9.544   4.028  -0.439
   85   HH12  ARG   9          HH12      ARG   9   8.675   4.256  -1.918
   86   HH21  ARG   9          HH21      ARG   9   5.993   6.058  -0.426
   87   HH22  ARG   9          HH22      ARG   9   6.624   5.428  -1.910
   88    H    ASN  10           HN       ASN  10  13.736   7.268   3.811
   89    HA   ASN  10           HA       ASN  10  13.350   9.382   1.955
   90    HB2  ASN  10           HB2      ASN  10  15.194   9.182   4.414
   91    HB3  ASN  10           HB1      ASN  10  14.877  10.700   3.494
   92   HD21  ASN  10          HD21      ASN  10  14.239   9.617   6.382
   93    H    PHE  11           HN       PHE  11  15.601   6.768   2.168
   94    HA   PHE  11           HA       PHE  11  17.641   8.287   0.742
   95    HB2  PHE  11           HB2      PHE  11  17.573   5.597   2.168
   96    HB3  PHE  11           HB1      PHE  11  18.714   5.794   0.779
   97    HD1  PHE  11           HD1      PHE  11  17.632   7.614   3.862
   98    HD2  PHE  11           HD2      PHE  11  20.800   6.565   1.235
   99    HE1  PHE  11           HE1      PHE  11  19.220   8.746   5.326
  100    HE2  PHE  11           HE2      PHE  11  22.392   7.699   2.708
  101    HZ   PHE  11           HZ       PHE  11  21.608   8.792   4.761
  102    H    ILE  12           HN       ILE  12  14.756   7.260  -0.081
  103    HA   ILE  12           HA       ILE  12  13.838   6.774  -2.029
  104    HB   ILE  12           HB       ILE  12  16.534   6.034  -3.223
  105   HG12  ILE  12          HG12      ILE  12  16.686   8.381  -2.440
  106   HG13  ILE  12          HG11      ILE  12  16.576   8.315  -4.231
  107   HG21  ILE  12          HG21      ILE  12  13.674   6.386  -4.204
  108   HG22  ILE  12          HG22      ILE  12  14.912   5.152  -4.651
  109   HG23  ILE  12          HG23      ILE  12  15.025   6.824  -5.317
  110   HD11  ILE  12          HD11      ILE  12  14.430   9.191  -2.216
  111   HD12  ILE  12          HD12      ILE  12  13.987   8.687  -3.892
  112   HD13  ILE  12          HD13      ILE  12  15.094  10.087  -3.634
  113    H    LEU  13           HN       LEU  13  12.674   4.966  -2.137
  114    HA   LEU  13           HA       LEU  13  14.100   2.473  -1.577
  115    HB2  LEU  13           HB2      LEU  13  12.461   3.033   0.222
  116    HB3  LEU  13           HB1      LEU  13  11.184   3.269  -1.018
  117    HG   LEU  13           HG       LEU  13  11.372   0.870  -1.673
  118   HD11  LEU  13          HD11      LEU  13  12.600  -0.572   0.258
  119   HD12  LEU  13          HD12      LEU  13  13.619   0.912   0.371
  120   HD13  LEU  13          HD13      LEU  13  13.485   0.028  -1.195
  121   HD21  LEU  13          HD21      LEU  13   9.639   0.686  -0.234
  122   HD22  LEU  13          HD22      LEU  13  10.337   1.950   0.850
  123   HD23  LEU  13          HD23      LEU  13  10.808   0.219   1.060
  124    H    GLN  14           HN       GLN  14  14.309   1.251  -3.395
  125    HA   GLN  14           HA       GLN  14  12.025   1.245  -5.215
  126    HB2  GLN  14           HB2      GLN  14  14.988   1.531  -5.998
  127    HB3  GLN  14           HB1      GLN  14  13.691   1.057  -7.155
  128    HG2  GLN  14           HG2      GLN  14  12.549   3.213  -6.881
  129    HG3  GLN  14           HG1      GLN  14  13.674   3.688  -5.546
  130   HE21  GLN  14          HE21      GLN  14  13.206   5.013  -8.204
  131   HE22  GLN  14          HE22      GLN  14  14.748   5.064  -8.988
  132    H    ARG  15           HN       ARG  15  13.263  -0.358  -2.930
  133    HA   ARG  15           HA       ARG  15  14.528  -2.557  -4.073
  134    HB2  ARG  15           HB2      ARG  15  12.920  -2.322  -1.478
  135    HB3  ARG  15           HB1      ARG  15  13.796  -3.816  -1.961
  136    HG2  ARG  15           HG2      ARG  15  15.148  -1.070  -1.628
  137    HG3  ARG  15           HG1      ARG  15  15.041  -2.304  -0.325
  138    HD2  ARG  15           HD2      ARG  15  16.289  -3.944  -1.821
  139    HD3  ARG  15           HD1      ARG  15  16.475  -2.619  -3.054
  140    HE   ARG  15           HE       ARG  15  17.392  -1.638  -0.511
  141   HH11  ARG  15          HH11      ARG  15  18.174  -4.030  -3.031
  142   HH12  ARG  15          HH12      ARG  15  19.884  -3.986  -2.760
  143   HH21  ARG  15          HH21      ARG  15  19.717  -1.576  -0.140
  144   HH22  ARG  15          HH22      ARG  15  20.776  -2.566  -1.087
  145    H    LYS  16           HN       LYS  16  11.094  -1.735  -3.448
  146    HA   LYS  16           HA       LYS  16  10.322  -4.328  -4.498
  147    HB2  LYS  16           HB2      LYS  16   8.552  -1.957  -3.652
  148    HB3  LYS  16           HB1      LYS  16   7.986  -3.620  -4.037
  149    HG2  LYS  16           HG2      LYS  16   9.839  -2.861  -1.694
  150    HG3  LYS  16           HG1      LYS  16   8.073  -3.170  -1.574
  151    HD2  LYS  16           HD2      LYS  16   8.447  -5.514  -2.422
  152    HD3  LYS  16           HD1      LYS  16  10.215  -5.195  -2.485
  153    HE2  LYS  16           HE2      LYS  16   9.677  -6.416  -0.402
  154    HE3  LYS  16           HE1      LYS  16  10.164  -4.723   0.026
  155    HZ1  LYS  16           HZ1      LYS  16   7.374  -4.907  -0.473
  156    HZ2  LYS  16           HZ2      LYS  16   8.205  -4.387   0.913
  157    HZ3  LYS  16           HZ3      LYS  16   7.848  -6.034   0.704
  158    H    LYS  17           HN       LYS  17  11.238  -4.041  -6.653
  159    HA   LYS  17           HA       LYS  17  10.021  -1.879  -8.174
  160    HB2  LYS  17           HB2      LYS  17  12.496  -2.317  -8.458
  161    HB3  LYS  17           HB1      LYS  17  12.107  -3.989  -8.994
  162    HG2  LYS  17           HG2      LYS  17  10.841  -3.085 -10.943
  163    HG3  LYS  17           HG1      LYS  17  11.191  -1.406 -10.403
  164    HD2  LYS  17           HD2      LYS  17  13.644  -1.835 -10.665
  165    HD3  LYS  17           HD1      LYS  17  13.295  -3.516 -11.198
  166    HE2  LYS  17           HE2      LYS  17  12.045  -2.634 -13.190
  167    HE3  LYS  17           HE1      LYS  17  12.384  -0.938 -12.648
  168    HZ1  LYS  17           HZ1      LYS  17  14.044  -2.781 -14.041
  169    HZ2  LYS  17           HZ2      LYS  17  14.811  -2.212 -12.635
  170    HZ3  LYS  17           HZ3      LYS  17  14.228  -1.112 -13.790