*HEADER    SIGNALING PROTEIN                       12-MAR-18   6COS              
*TITLE     CSP1-F11                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COMPETENCE-STIMULATING PEPTIDE TYPE 1;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 25-41;                                        
*COMPND   5 SYNONYM: CSP-1;                                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE;                       
*SOURCE   4 ORGANISM_TAXID: 1313                                                 
*KEYWDS    PNEUMOCOCCUS, QUORUM SENSING, SIGNALING MOLECULE, CSP, SIGNALING      
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.YANG                                                                
*REVDAT   1   29-AUG-18 6COS    0                                                
# Restraints file 1: CSP1f11_hbda.tbl
!helix 1
!
assign (resid  8 and name n)(resid  8 and name hn) (resid  4 and name o)
assign (resid  9 and name n)(resid  9 and name hn) (resid  5 and name o)
assign (resid 10 and name n)(resid 10 and name hn) (resid  6 and name o)

# Restraints file 2: CSP1f11_hbonds.tbl
!! helix 1:
assign ( resid  4  and name O ) ( resid  8  and name HN ) 1.9 0.4 0.6
assign ( resid  4  and name O ) ( resid  8  and name N  ) 2.9 0.5 0.7

assign ( resid  5  and name O ) ( resid  9  and name HN ) 1.9 0.4 0.6
assign ( resid  5  and name O ) ( resid  9  and name N  ) 2.9 0.5 0.7

assign ( resid  6  and name O ) ( resid 10  and name HN ) 1.9 0.4 0.6
assign ( resid  6  and name O ) ( resid 10  and name N  ) 2.9 0.5 0.7

!
!



# Restraints file 3: CSP1f11_phi_psi_dihe.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  -60.2   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  -31.8   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  -64.0   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  -33.1   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  -66.3   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  -34.5   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  -68.2   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -35.1   20.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -72.1   21.7 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -26.1   30.2 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -62.8   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  -31.4   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  -71.7   20.0 2
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   30.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name CB   ) (resid    6 and name CG   )    1.0  -60.0   30.0 2
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   30.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name CG   )    1.0  -60.0   30.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name CG   )    1.0  -60.0   30.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name CB   ) (resid   13 and name CG   )    1.0  -60.0   30.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name CG   )    1.0  -60.0   30.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name CB   ) (resid   15 and name CG   )    1.0  -60.0   30.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name CB   ) (resid   16 and name CG   )    1.0  -60.0   30.0 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 4: CSP1f11_NOErestraint.tbl
assign (resid   2 and name HA  ) (resid   2 and name HE#  )  2.3  0.8  1.2
assign (resid   2 and name HA  ) (resid   2 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid   2 and name HA  ) (resid   2 and (name HG2 or name HG1  )) 2.4  0.8  0.8
assign (resid   2 and name HE#  ) (resid   2 and (name HG1 or name HG2  )) 2.3  0.8  0.8
assign (resid   2 and name HE#  ) (resid   2 and (name HG2 or name HG1  )) 2.3  0.8  0.8
assign (resid   2 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   2 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 3.2  1.1  1.1
assign (resid   2 and name HA  ) (resid   3 and name HN  )  2.4  0.8  0.8
assign (resid   2 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.7  0.9  0.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.7  0.9  0.9
assign (resid   2 and name HE#  ) (resid   3 and name HA  )  2.5  0.9  0.9
assign (resid   2 and name HE#  ) (resid   3 and name HN  )  2.4  0.8  0.8
assign (resid   2 and (name HG1 or name HG2  )) (resid   3 and name HN  )  2.7  0.9  0.9
assign (resid   2 and (name HG2 or name HG1  )) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   2 and name HA  ) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and (name HD2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.7  0.9  0.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   4 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   2 and (name HB2 or name HB1  )) (resid   4 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   2 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   2 and name HE#  ) (resid   4 and (name HD1# or name HD2#  )) 2.4  0.8  1.2
assign (resid   2 and name HE#  ) (resid   4 and (name HD2# or name HD1#  )) 2.5  0.9  1.1
assign (resid   2 and name HE#  ) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   2 and (name HG1 or name HG2  )) (resid   4 and (name HD1# or name HD2#  )) 3.1  1.1  1.1
assign (resid   2 and (name HG1 or name HG2  )) (resid   4 and (name HD2# or name HD1#  )) 3.0  1.0  1.0
assign (resid   2 and (name HG1 or name HG2  )) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   2 and (name HG2 or name HG1  )) (resid   4 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   2 and (name HG2 or name HG1  )) (resid   4 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   2 and (name HG2 or name HG1  )) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   2 and name HA  ) (resid   5 and name HN  )  2.6  0.9  2.0
assign (resid   2 and (name HB1 or name HB2  )) (resid   5 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   5 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   5 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   2 and (name HB2 or name HB1  )) (resid   5 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid   2 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   2 and name HE#  ) (resid   5 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   2 and name HE#  ) (resid   5 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   2 and name HE#  ) (resid   5 and name HN  )  2.4  0.8  0.8
assign (resid   2 and (name HG1 or name HG2  )) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   2 and (name HG2 or name HG1  )) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   7 and name HE#  )  2.7  0.9  3.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.7  0.9  0.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   8 and name HZ  )  2.7  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid   3 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 2.3  0.8  0.8
assign (resid   3 and name HA  ) (resid   3 and (name HD1 or name HD2  )) 2.4  0.8  0.8
assign (resid   3 and name HA  ) (resid   3 and (name HD2 or name HD1  )) 2.5  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and name HG#  )  2.3  0.8  0.8
assign (resid   3 and name HA  ) (resid   3 and name HN  )  2.4  0.8  0.8
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and (name HD1 or name HD2  )) 2.3  0.8  0.8
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and (name HD2 or name HD1  )) 2.2  0.8  0.8
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HE  )  2.5  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.4  0.8  0.8
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 HE  )  2.6  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.5  0.9  0.9
assign (resid   3 and (name HD1 or name HD2  )) (resid   3 and name HE  )  2.5  0.9  0.9
assign (resid   3 and (name HD1 or name HD2  )) (resid   3 and name HG#  )  2.3  0.8  0.8
assign (resid   3 and (name HD1 or name HD2  )) (resid   3 and name HN  )  2.6  0.9  1.1
assign (resid   3 and (name HD2 or name HD1  )) (resid   3 and name HE  )  2.6  0.9  0.9
assign (resid   3 and name HE  ) (resid   3 and name HG#  )  2.6  0.9  0.9
assign (resid   3 and name HG#  ) (resid   3 and name HN  )  2.5  0.9  1.3
assign (resid   3 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 2.5  0.9  1.3
assign (resid   3 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 2.6  0.9  1.3
assign (resid   3 and name HA  ) (resid   4 and name HG  )  2.3  0.8  2.4
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   3 and (name HB1 or name HB2  )) (resid   4 and name HA  )  2.5  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   4 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
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 HD1 or name HD2  )) (resid   4 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   3 and (name HD1 or name HD2  )) (resid   4 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   3 and (name HD1 or name HD2  )) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   3 and (name HD2 or name HD1  )) (resid   4 and (name HD1# or name HD2#  )) 2.7  0.9  0.9
assign (resid   3 and (name HD2 or name HD1  )) (resid   4 and name HN  )  2.7  0.9  0.9
assign (resid   3 and name HN  ) (resid   4 and name HA  )  2.7  0.9  1.1
assign (resid   3 and name HN  ) (resid   4 and (name HB1 or name HB2  )) 2.2  0.8  1.4
assign (resid   3 and name HN  ) (resid   4 and name HG  )  2.3  0.8  0.8
assign (resid   3 and name HN  ) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   3 and name HA  ) (resid   5 and name HN  )  2.6  0.9  1.2
assign (resid   3 and (name HB1 or name HB2  )) (resid   5 and (name HB1 or name HB2  )) 2.3  0.8  2.3
assign (resid   3 and (name HB1 or name HB2  )) (resid   5 and (name HB2 or name HB1  )) 5.0  1.8  1.8
assign (resid   3 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.3  0.8  1.7
assign (resid   3 and name HN  ) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   7 and name HN  )  2.4  0.8  3.5
assign (resid   3 and (name HB1 or name HB2  )) (resid   7 and name HD#  )  2.6  0.9  2.5
assign (resid   3 and (name HB1 or name HB2  )) (resid   7 and name HE#  )  2.7  0.9  3.6
assign (resid   4 and name HA  ) (resid   4 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and (name HB2 or name HB1  )) 2.2  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 2.2  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and (name HD2# or name HD1#  )) 2.3  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   4 and (name HD1# or name HD2#  )) (resid   4 and name HG  )  2.2  0.8  0.8
assign (resid   4 and (name HD1# or name HD2#  )) (resid   4 and name HN  )  2.4  0.8  0.8
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HG  )  2.3  0.8  0.8
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HN  )  2.4  0.8  0.8
assign (resid   4 and name HG  ) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   5 and (name HB1 or name HB2  )) 2.6  0.9  1.1
assign (resid   4 and (name HB2 or name HB1  )) (resid   5 and (name HB2 or name HB1  )) 2.5  0.9  1.2
assign (resid   4 and (name HD1# or name HD2#  )) (resid   5 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   5 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   5 and name HN  )  2.4  0.8  0.8
assign (resid   4 and (name HD2# or name HD1#  )) (resid   5 and name HA  )  2.5  0.9  1.2
assign (resid   4 and (name HD2# or name HD1#  )) (resid   5 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   5 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   4 and name HG  ) (resid   5 and (name HB1 or name HB2  )) 2.2  0.8  0.8
assign (resid   4 and name HG  ) (resid   5 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   4 and name HN  ) (resid   5 and name HA  )  2.5  0.9  1.9
assign (resid   4 and name HN  ) (resid   5 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   4 and name HN  ) (resid   5 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   4 and name HN  ) (resid   5 and name HN  )  2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   7 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   7 and name HE#  )  2.5  0.9  1.4
assign (resid   4 and name HA  ) (resid   7 and name HN  )  2.3  0.8  1.3
assign (resid   4 and (name HB1 or name HB2  )) (resid   7 and name HD#  )  2.4  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   7 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and (name HB1 or name HB2  )) 2.4  0.8  1.0
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HE#  )  2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HN  )  2.5  0.9  1.7
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HA  )  2.3  0.8  3.3
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and (name HB1 or name HB2  )) 2.4  0.8  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and (name HB2 or name HB1  )) 2.4  0.8  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HE#  )  2.4  0.8  0.8
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HN  )  2.5  0.9  1.7
assign (resid   4 and name HG  ) (resid   7 and name HD#  )  2.5  0.9  1.7
assign (resid   4 and name HG  ) (resid   7 and name HE#  )  2.5  0.9  2.7
assign (resid   4 and name HN  ) (resid   7 and name HD#  )  2.7  0.9  1.6
assign (resid   4 and name HA  ) (resid   8 and (name HB1 or name HB2  )) 2.7  0.9  3.5
assign (resid   4 and name HA  ) (resid   8 and name HE#  )  2.5  0.9  1.3
assign (resid   4 and name HA  ) (resid   8 and name HN  )  2.5  0.9  2.1
assign (resid   4 and name HA  ) (resid   8 and name HZ  )  2.5  0.9  3.5
assign (resid   4 and (name HB1 or name HB2  )) (resid   8 and name HD#  )  2.7  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   8 and name HD#  )  2.4  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   8 and name HZ  )  2.5  0.9  1.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HA  )  2.6  0.9  2.1
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HZ  )  2.4  0.8  0.8
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HZ  )  2.4  0.8  0.8
assign (resid   4 and name HG  ) (resid   8 and name HE#  )  2.4  0.8  0.8
assign (resid   4 and name HG  ) (resid   8 and name HZ  )  2.4  0.8  1.5
assign (resid   4 and name HN  ) (resid   8 and name HE#  )  2.8  1.0  1.0
assign (resid   4 and name HA  ) (resid   9 and name HN  )  2.4  0.8  3.6
assign (resid   4 and name HN  ) (resid   9 and name HN  )  2.5  0.9  3.7
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.3  0.8  0.8
assign (resid   5 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.3  0.8  0.8
assign (resid   5 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.3  0.8  0.8
assign (resid   5 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   5 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   5 and name HA  ) (resid   7 and name HD#  )  2.5  0.9  2.0
assign (resid   5 and (name HB1 or name HB2  )) (resid   7 and (name HB1 or name HB2  )) 2.4  0.8  1.6
assign (resid   5 and (name HB1 or name HB2  )) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   5 and (name HB2 or name HB1  )) (resid   7 and (name HB1 or name HB2  )) 2.8  1.0  1.2
assign (resid   5 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.4  0.8  1.0
assign (resid   5 and name HN  ) (resid   7 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   5 and name HN  ) (resid   7 and name HD#  )  2.7  0.9  1.5
assign (resid   5 and name HN  ) (resid   7 and name HE#  )  2.8  1.0  2.9
assign (resid   5 and name HA  ) (resid   8 and (name HB1 or name HB2  )) 2.4  0.8  1.4
assign (resid   5 and name HA  ) (resid   8 and name HD#  )  2.8  1.0  1.0
assign (resid   5 and name HA  ) (resid   8 and name HE#  )  2.4  0.8  0.8
assign (resid   5 and name HA  ) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   5 and name HA  ) (resid   8 and name HZ  )  2.6  0.9  0.9
assign (resid   5 and (name HB1 or name HB2  )) (resid   8 and (name HB1 or name HB2  )) 2.7  0.9  1.8
assign (resid   5 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   5 and (name HB1 or name HB2  )) (resid   8 and name HN  )  2.6  0.9  1.1
assign (resid   5 and (name HB1 or name HB2  )) (resid   8 and name HZ  )  2.4  0.8  0.8
assign (resid   5 and (name HB2 or name HB1  )) (resid   8 and (name HB1 or name HB2  )) 2.6  0.9  1.9
assign (resid   5 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.7  0.9  0.9
assign (resid   5 and (name HB2 or name HB1  )) (resid   8 and name HN  )  2.6  0.9  1.1
assign (resid   5 and (name HB2 or name HB1  )) (resid   8 and name HZ  )  2.7  0.9  0.9
assign (resid   5 and name HN  ) (resid   8 and (name HB1 or name HB2  )) 2.6  0.9  2.2
assign (resid   5 and name HN  ) (resid   8 and name HE#  )  2.6  0.9  0.9
assign (resid   5 and name HN  ) (resid   8 and name HN  )  2.6  0.9  1.3
assign (resid   5 and name HA  ) (resid   9 and name HN  )  2.4  0.8  0.8
assign (resid   5 and (name HB1 or name HB2  )) (resid   9 and name HN  )  2.3  0.8  0.8
assign (resid   5 and (name HB2 or name HB1  )) (resid   9 and name HN  )  2.8  1.0  1.0
assign (resid   5 and name HN  ) (resid   9 and (name HB1 or name HB2  )) 2.3  0.8  1.6
assign (resid   5 and name HN  ) (resid   9 and name HN  )  2.3  0.8  1.8
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and name HD#  ) (resid   6 and name HN  )  2.7  0.9  0.9
assign (resid   6 and name HG#  ) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and name HN  ) (resid   7 and name HA  )  2.5  0.9  1.5
assign (resid   6 and (name HB2 or name HB1  )) (resid  10 and name HA  )  2.5  0.9  3.5
assign (resid   7 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid   7 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.3  0.8  0.8
assign (resid   7 and name HA  ) (resid   7 and name HD#  )  2.4  0.8  0.8
assign (resid   7 and name HA  ) (resid   7 and name HE#  )  2.4  0.8  2.2
assign (resid   7 and name HA  ) (resid   7 and name HN  )  2.3  0.8  0.8
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HD#  )  2.3  0.8  0.8
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HE#  )  2.5  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HN  )  2.3  0.8  0.8
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HD#  )  2.4  0.8  0.8
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HE#  )  2.4  0.8  0.8
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.3  0.8  0.8
assign (resid   7 and name HD#  ) (resid   7 and name HN  )  2.3  0.8  1.1
assign (resid   7 and name HE#  ) (resid   7 and name HN  )  2.5  0.9  2.8
assign (resid   7 and name HA  ) (resid   8 and name HE#  )  2.5  0.9  3.3
assign (resid   7 and name HA  ) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HA  )  2.3  0.8  1.3
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and (name HB1 or name HB2  )) 2.2  0.8  0.8
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.3  0.8  1.1
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HN  )  2.3  0.8  0.8
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HA  )  2.4  0.8  1.1
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.4  0.8  1.0
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   7 and name HD#  ) (resid   8 and name HA  )  2.6  0.9  0.9
assign (resid   7 and name HD#  ) (resid   8 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   7 and name HD#  ) (resid   8 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   7 and name HD#  ) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   7 and name HE#  ) (resid   8 and name HA  )  2.6  0.9  0.9
assign (resid   7 and name HE#  ) (resid   8 and name HN  )  2.6  0.9  1.7
assign (resid   7 and name HN  ) (resid   8 and name HA  )  2.4  0.8  2.0
assign (resid   7 and name HN  ) (resid   8 and (name HB1 or name HB2  )) 2.3  0.8  2.4
assign (resid   7 and name HN  ) (resid   8 and name HE#  )  2.4  0.8  1.3
assign (resid   7 and name HN  ) (resid   8 and name HN  )  2.3  0.8  0.8
assign (resid   7 and name HN  ) (resid   8 and name HZ  )  2.5  0.9  2.8
assign (resid   7 and (name HB1 or name HB2  )) (resid   9 and (name HB1 or name HB2  )) 2.6  0.9  1.4
assign (resid   7 and name HE#  ) (resid   9 and (name HB1 or name HB2  )) 2.7  0.9  3.9
assign (resid   7 and name HN  ) (resid   9 and name HA  )  2.3  0.8  3.0
assign (resid   7 and name HN  ) (resid   9 and (name HB1 or name HB2  )) 2.2  0.8  0.8
assign (resid   7 and name HN  ) (resid   9 and name HG#  )  2.2  0.8  2.5
assign (resid   7 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.4  0.8  1.3
assign (resid   7 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.4  0.8  1.3
assign (resid   7 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.4  0.8  1.1
assign (resid   7 and (name HB2 or name HB1  )) (resid  10 and name HA  )  2.5  0.9  3.0
assign (resid   7 and name HD#  ) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid   7 and name HE#  ) (resid  10 and name HN  )  2.8  1.0  2.4
assign (resid   7 and name HN  ) (resid  10 and name HA  )  2.6  0.9  2.4
assign (resid   7 and name HN  ) (resid  10 and name HN  )  2.3  0.8  1.0
assign (resid   7 and name HD#  ) (resid  11 and (name HB1 or name HB2  )) 2.3  0.8  2.8
assign (resid   7 and name HD#  ) (resid  11 and name HN  )  2.8  1.0  1.0
assign (resid   7 and name HE#  ) (resid  11 and (name HB1 or name HB2  )) 2.5  0.9  3.1
assign (resid   7 and name HE#  ) (resid  11 and name HN  )  2.8  1.0  1.7
assign (resid   7 and name HN  ) (resid  11 and name HZ  )  2.7  0.9  4.0
assign (resid   7 and (name HB1 or name HB2  )) (resid  12 and name HD#  )  2.4  0.8  2.1
assign (resid   7 and name HD#  ) (resid  12 and name HD#  )  2.4  0.8  1.0
assign (resid   7 and name HE#  ) (resid  12 and name HA  )  2.5  0.9  2.1
assign (resid   7 and name HE#  ) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid   7 and name HE#  ) (resid  12 and (name HG12 or name HG11  )) 2.6  0.9  0.9
assign (resid   7 and name HE#  ) (resid  12 and name HN  )  2.9  1.0  1.9
assign (resid   7 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 2.6  0.9  2.6
assign (resid   7 and (name HB2 or name HB1  )) (resid  13 and (name HD2# or name HD1#  )) 2.6  0.9  2.6
assign (resid   7 and name HE#  ) (resid  13 and (name HB2 or name HB1  )) 2.4  0.8  4.5
assign (resid   7 and name HE#  ) (resid  13 and (name HD2# or name HD1#  )) 2.6  0.9  2.0
assign (resid   7 and name HE#  ) (resid  13 and name HG  )  2.6  0.9  2.9
assign (resid   8 and name HA  ) (resid   8 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid   8 and name HA  ) (resid   8 and name HE#  )  2.3  0.8  2.4
assign (resid   8 and name HA  ) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   8 and name HA  ) (resid   8 and name HZ  )  2.6  0.9  3.7
assign (resid   8 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.3  0.8  0.8
assign (resid   8 and (name HB1 or name HB2  )) (resid   8 and name HN  )  2.3  0.8  0.8
assign (resid   8 and (name HB1 or name HB2  )) (resid   8 and name HZ  )  2.5  0.9  1.8
assign (resid   8 and (name HB2 or name HB1  )) (resid   8 and name HD#  )  2.4  0.8  0.8
assign (resid   8 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.3  0.8  0.8
assign (resid   8 and (name HB2 or name HB1  )) (resid   8 and name HN  )  2.3  0.8  0.8
assign (resid   8 and (name HB2 or name HB1  )) (resid   8 and name HZ  )  2.4  0.8  1.9
assign (resid   8 and name HE#  ) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   8 and name HN  ) (resid   8 and name HZ  )  2.5  0.9  2.0
assign (resid   8 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.4  0.8  2.1
assign (resid   8 and name HA  ) (resid   9 and name HN  )  2.3  0.8  0.8
assign (resid   8 and (name HB1 or name HB2  )) (resid   9 and name HA  )  2.5  0.9  1.5
assign (resid   8 and (name HB2 or name HB1  )) (resid   9 and name HA  )  2.2  0.8  1.9
assign (resid   8 and name HE#  ) (resid   9 and name HA  )  2.4  0.8  1.2
assign (resid   8 and name HE#  ) (resid   9 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   8 and name HE#  ) (resid   9 and name HD#  )  2.7  0.9  0.9
assign (resid   8 and name HE#  ) (resid   9 and name HG#  )  2.5  0.9  0.9
assign (resid   8 and name HN  ) (resid   9 and name HA  )  2.4  0.8  1.5
assign (resid   8 and name HN  ) (resid   9 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   8 and name HN  ) (resid   9 and name HG#  )  2.6  0.9  1.6
assign (resid   8 and name HZ  ) (resid   9 and name HA  )  3.5  1.2  1.8
assign (resid   8 and name HA  ) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid   8 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid   8 and (name HB2 or name HB1  )) (resid  10 and name HN  )  2.4  0.8  1.1
assign (resid   8 and name HE#  ) (resid  10 and name HN  )  2.6  0.9  2.2
assign (resid   8 and name HN  ) (resid  10 and name HA  )  2.6  0.9  2.2
assign (resid   8 and name HN  ) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.5  0.9  1.8
assign (resid   8 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.5  0.9  1.8
assign (resid   8 and name HA  ) (resid  11 and name HE#  )  2.2  0.8  1.4
assign (resid   8 and name HA  ) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid  11 and name HZ  )  2.4  0.8  2.3
assign (resid   8 and (name HB1 or name HB2  )) (resid  11 and name HE#  )  2.7  0.9  1.3
assign (resid   8 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid   8 and (name HB1 or name HB2  )) (resid  11 and name HZ  )  2.6  0.9  2.6
assign (resid   8 and (name HB2 or name HB1  )) (resid  11 and name HE#  )  2.5  0.9  1.5
assign (resid   8 and (name HB2 or name HB1  )) (resid  11 and name HZ  )  2.5  0.9  2.7
assign (resid   8 and name HE#  ) (resid  11 and name HN  )  2.6  0.9  3.4
assign (resid   8 and name HN  ) (resid  11 and name HZ  )  2.7  0.9  2.7
assign (resid   8 and name HA  ) (resid  12 and name HB  )  2.6  0.9  1.6
assign (resid   8 and name HA  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid   8 and (name HB1 or name HB2  )) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid   8 and (name HB2 or name HB1  )) (resid  12 and (name HG12 or name HG11  )) 2.4  0.8  0.8
assign (resid   8 and name HD#  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid   8 and name HE#  ) (resid  12 and name HD#  )  2.4  0.8  2.1
assign (resid   8 and name HE#  ) (resid  12 and (name HG12 or name HG11  )) 2.2  0.8  3.2
assign (resid   8 and name HE#  ) (resid  12 and name HN  )  2.7  0.9  4.7
assign (resid   8 and name HN  ) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid   8 and name HZ  ) (resid  12 and name HD#  )  2.4  0.8  3.4
assign (resid   8 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid   8 and name HD#  ) (resid  13 and (name HB2 or name HB1  )) 2.8  1.0  1.3
assign (resid   8 and name HD#  ) (resid  13 and (name HD2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   8 and name HE#  ) (resid  13 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   8 and name HE#  ) (resid  13 and name HG  )  2.3  0.8  3.2
assign (resid   8 and name HN  ) (resid  13 and name HN  )  2.7  0.9  3.7
assign (resid   8 and name HZ  ) (resid  13 and (name HD2# or name HD1#  )) 3.0  1.0  1.6
assign (resid   9 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.2  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and (name HB2 or name HB1  )) 2.2  0.8  0.8
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 HG#  )  2.3  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and name HN  )  2.2  0.8  0.8
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HD#  )  2.2  0.8  0.8
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HE  )  2.7  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HN  )  2.2  0.8  0.8
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and name HD#  )  2.2  0.8  0.8
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and name HE  )  2.5  0.9  0.9
assign (resid   9 and name HD#  ) (resid   9 and name HE  )  2.4  0.8  0.8
assign (resid   9 and name HD#  ) (resid   9 and name HN  )  2.4  0.8  1.7
assign (resid   9 and name HE  ) (resid   9 and name HG#  )  2.5  0.9  0.9
assign (resid   9 and name HG#  ) (resid   9 and name HN  )  2.2  0.8  0.8
assign (resid   9 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.2  0.8  1.8
assign (resid   9 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.6  0.9  1.4
assign (resid   9 and name HA  ) (resid  10 and name HN  )  2.3  0.8  0.8
assign (resid   9 and (name HB1 or name HB2  )) (resid  10 and name HA  )  2.4  0.8  1.2
assign (resid   9 and name HN  ) (resid  10 and name HA  )  2.5  0.9  1.6
assign (resid   9 and name HN  ) (resid  10 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   9 and name HN  ) (resid  10 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.7  0.9  2.8
assign (resid   9 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.5  0.9  3.0
assign (resid   9 and name HA  ) (resid  11 and name HN  )  2.5  0.9  1.1
assign (resid   9 and name HA  ) (resid  11 and name HZ  )  2.8  1.0  1.0
assign (resid   9 and (name HB1 or name HB2  )) (resid  11 and name HE#  )  2.7  0.9  1.2
assign (resid   9 and (name HB1 or name HB2  )) (resid  11 and name HZ  )  2.8  1.0  1.0
assign (resid   9 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.3  0.8  2.0
assign (resid   9 and name HN  ) (resid  11 and (name HB1 or name HB2  )) 2.7  0.9  3.4
assign (resid   9 and name HN  ) (resid  11 and name HN  )  2.4  0.8  0.9
assign (resid   9 and name HA  ) (resid  12 and name HN  )  2.6  0.9  2.7
assign (resid   9 and name HN  ) (resid  12 and name HD#  )  2.5  0.9  1.0
assign (resid   9 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.9  1.0  1.0
assign (resid   9 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 3.1  1.1  1.1
assign (resid   9 and name HD#  ) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   9 and name HN  ) (resid  13 and name HN  )  2.3  0.8  3.7
assign (resid  10 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid  10 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.3  0.8  0.8
assign (resid  10 and name HA  ) (resid  10 and name HN  )  2.4  0.8  0.8
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.3  0.8  0.8
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and name HN  )  2.3  0.8  0.8
assign (resid  10 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.5  0.9  1.5
assign (resid  10 and name HA  ) (resid  11 and name HN  )  2.4  0.8  0.8
assign (resid  10 and name HA  ) (resid  11 and name HZ  )  2.4  0.8  0.8
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and (name HB1 or name HB2  )) 2.5  0.9  2.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HE#  )  2.7  0.9  1.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.4  0.8  0.8
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HZ  )  2.5  0.9  1.8
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and (name HB1 or name HB2  )) 2.5  0.9  2.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HE#  )  2.7  0.9  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.4  0.8  0.8
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HZ  )  2.6  0.9  1.7
assign (resid  10 and name HN  ) (resid  11 and (name HB1 or name HB2  )) 2.5  0.9  2.1
assign (resid  10 and name HN  ) (resid  11 and (name HB2 or name HB1  )) 2.4  0.8  2.2
assign (resid  10 and name HN  ) (resid  11 and name HE#  )  2.3  0.8  1.0
assign (resid  10 and name HN  ) (resid  11 and name HN  )  2.3  0.8  0.8
assign (resid  10 and name HN  ) (resid  11 and name HZ  )  2.8  1.0  1.0
assign (resid  10 and name HN  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid  10 and name HN  ) (resid  12 and (name HG2# or name HD1#  )) 2.3  0.8  0.9
assign (resid  10 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.5  0.9  3.3
assign (resid  10 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.6  0.9  2.0
assign (resid  10 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.6  0.9  2.0
assign (resid  10 and name HA  ) (resid  13 and name HG  )  2.7  0.9  2.9
assign (resid  10 and name HA  ) (resid  13 and name HN  )  2.3  0.8  3.6
assign (resid  10 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 2.5  0.9  2.3
assign (resid  10 and (name HB2 or name HB1  )) (resid  13 and (name HD1# or name HD2#  )) 2.6  0.9  2.2
assign (resid  10 and name HN  ) (resid  13 and name HG  )  2.5  0.9  1.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  14 and name HE2#  )  2.7  0.9  3.5
assign (resid  11 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid  11 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.3  0.8  0.8
assign (resid  11 and name HA  ) (resid  11 and name HN  )  2.2  0.8  0.8
assign (resid  11 and name HA  ) (resid  11 and name HZ  )  2.3  0.8  3.2
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.3  0.8  0.8
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HZ  )  2.3  0.8  2.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.3  0.8  0.8
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HZ  )  2.3  0.8  2.0
assign (resid  11 and name HN  ) (resid  11 and name HZ  )  2.4  0.8  0.9
assign (resid  11 and name HA  ) (resid  12 and name HD#  )  2.5  0.9  1.3
assign (resid  11 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid  11 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.6  0.9  0.9
assign (resid  11 and name HA  ) (resid  12 and name HN  )  2.3  0.8  0.8
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HA  )  2.5  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and (name HG12 or name HG11  )) 2.5  0.9  1.1
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HA  )  2.7  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  11 and name HE#  ) (resid  12 and name HB  )  2.3  0.8  3.2
assign (resid  11 and name HE#  ) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid  11 and name HE#  ) (resid  12 and (name HG12 or name HG11  )) 2.6  0.9  1.7
assign (resid  11 and name HE#  ) (resid  12 and (name HG2# or name HD1#  )) 2.9  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid  11 and name HN  ) (resid  12 and (name HG12 or name HG11  )) 2.6  0.9  0.9
assign (resid  11 and name HN  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  11 and name HN  ) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  11 and name HZ  ) (resid  12 and name HD#  )  2.4  0.8  1.6
assign (resid  11 and name HZ  ) (resid  12 and (name HG12 or name HG11  )) 2.6  0.9  3.0
assign (resid  11 and name HZ  ) (resid  12 and (name HG2# or name HD1#  )) 2.4  0.8  1.6
assign (resid  11 and name HZ  ) (resid  12 and name HN  )  2.5  0.9  2.1
assign (resid  11 and name HA  ) (resid  13 and name HN  )  2.5  0.9  1.8
assign (resid  11 and (name HB1 or name HB2  )) (resid  13 and (name HB1 or name HB2  )) 2.5  0.9  1.5
assign (resid  11 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  1.5
assign (resid  11 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 2.5  0.9  1.5
assign (resid  11 and (name HB1 or name HB2  )) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  13 and (name HB2 or name HB1  )) 2.3  0.8  0.8
assign (resid  11 and name HE#  ) (resid  13 and (name HD1# or name HD2#  )) 2.9  1.0  1.0
assign (resid  11 and name HE#  ) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  11 and name HN  ) (resid  13 and (name HD1# or name HD2#  )) 2.7  0.9  0.9
assign (resid  11 and name HN  ) (resid  13 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid  11 and name HZ  ) (resid  13 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  11 and name HZ  ) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid  11 and name HZ  ) (resid  13 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  11 and name HZ  ) (resid  13 and name HN  )  2.8  1.0  1.4
assign (resid  11 and name HA  ) (resid  14 and name HN  )  2.2  0.8  3.1
assign (resid  11 and (name HB1 or name HB2  )) (resid  14 and (name HB1 or name HB2  )) 2.6  0.9  1.5
assign (resid  11 and (name HB1 or name HB2  )) (resid  14 and (name HB2 or name HB1  )) 2.5  0.9  1.6
assign (resid  11 and (name HB1 or name HB2  )) (resid  14 and name HG#  )  2.6  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  14 and name HE2#  )  2.8  1.0  1.2
assign (resid  11 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  11 and name HZ  ) (resid  14 and (name HB1 or name HB2  )) 2.8  1.0  1.6
assign (resid  11 and name HZ  ) (resid  14 and (name HB2 or name HB1  )) 2.7  0.9  1.7
assign (resid  11 and name HZ  ) (resid  14 and name HG#  )  2.6  0.9  0.9
assign (resid  11 and name HZ  ) (resid  14 and name HN  )  2.6  0.9  1.2
assign (resid  11 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  11 and name HZ  ) (resid  15 and name HG#  )  2.7  0.9  3.2
assign (resid  11 and (name HB1 or name HB2  )) (resid  16 and name HD#  )  3.0  1.0  3.0
assign (resid  12 and name HA  ) (resid  12 and name HB  )  2.2  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and name HD#  )  2.2  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.3  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.3  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and name HN  )  2.3  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and name HD#  )  2.2  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and name HN  )  2.3  0.8  1.0
assign (resid  12 and name HD#  ) (resid  12 and (name HG12 or name HG11  )) 2.2  0.8  0.8
assign (resid  12 and name HD#  ) (resid  12 and name HN  )  2.3  0.8  0.8
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and (name HG2# or name HD1#  )) 2.2  0.8  0.8
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  12 and (name HG2# or name HD1#  )) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.6  0.9  1.2
assign (resid  12 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.5  0.9  1.3
assign (resid  12 and name HA  ) (resid  13 and name HG  )  2.4  0.8  2.0
assign (resid  12 and name HA  ) (resid  13 and name HN  )  2.3  0.8  0.8
assign (resid  12 and name HD#  ) (resid  13 and name HA  )  2.4  0.8  0.8
assign (resid  12 and name HD#  ) (resid  13 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  12 and name HD#  ) (resid  13 and name HG  )  2.5  0.9  0.9
assign (resid  12 and name HD#  ) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  12 and (name HG12 or name HG11  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and name HA  )  2.5  0.9  1.3
assign (resid  12 and name HN  ) (resid  13 and (name HB2 or name HB1  )) 2.4  0.8  0.9
assign (resid  12 and name HN  ) (resid  13 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid  12 and name HN  ) (resid  13 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and name HG  )  2.5  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and name HN  )  2.3  0.8  0.8
assign (resid  12 and name HD#  ) (resid  14 and name HE2#  )  2.7  0.9  1.4
assign (resid  12 and name HD#  ) (resid  14 and name HG#  )  2.6  0.9  1.8
assign (resid  12 and name HD#  ) (resid  14 and name HN  )  2.4  0.8  1.0
assign (resid  12 and (name HG12 or name HG11  )) (resid  14 and name HN  )  2.3  0.8  2.8
assign (resid  12 and name HN  ) (resid  14 and name HA  )  2.4  0.8  3.0
assign (resid  12 and name HA  ) (resid  15 and name HD#  )  2.7  0.9  0.9
assign (resid  12 and name HD#  ) (resid  15 and name HD#  )  2.4  0.8  1.1
assign (resid  12 and name HD#  ) (resid  16 and name HA  )  2.3  0.8  2.2
assign (resid  12 and name HD#  ) (resid  17 and name HN  )  2.4  0.8  1.9
assign (resid  12 and name HN  ) (resid  17 and name HA  )  2.5  0.9  3.1
assign (resid  13 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.2  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.3  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and name HG  )  2.3  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.3  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.2  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 2.3  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HN  )  2.2  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and (name HD1# or name HD2#  )) 2.2  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and (name HD2# or name HD1#  )) 2.2  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.3  0.8  0.8
assign (resid  13 and (name HD1# or name HD2#  )) (resid  13 and name HG  )  2.3  0.8  0.8
assign (resid  13 and (name HD1# or name HD2#  )) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HD2# or name HD1#  )) (resid  13 and name HG  )  2.3  0.8  0.8
assign (resid  13 and (name HD2# or name HD1#  )) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  13 and name HG  ) (resid  13 and name HN  )  2.3  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HE2#  )  2.5  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.3  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and name HE2#  )  2.7  0.9  0.9
assign (resid  13 and (name HD1# or name HD2#  )) (resid  14 and name HE2#  )  2.8  1.0  1.2
assign (resid  13 and (name HD1# or name HD2#  )) (resid  14 and name HG#  )  2.7  0.9  0.9
assign (resid  13 and (name HD1# or name HD2#  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and name HE2#  )  2.8  1.0  1.2
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and name HG#  )  2.7  0.9  0.9
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  13 and name HG  ) (resid  14 and name HE2#  )  2.8  1.0  1.2
assign (resid  13 and name HG  ) (resid  14 and name HN  )  2.3  0.8  0.8
assign (resid  13 and (name HD1# or name HD2#  )) (resid  15 and name HD#  )  2.6  0.9  1.9
assign (resid  13 and (name HD1# or name HD2#  )) (resid  15 and name HN  )  2.5  0.9  1.6
assign (resid  13 and (name HD2# or name HD1#  )) (resid  15 and name HD#  )  2.6  0.9  1.9
assign (resid  13 and (name HD2# or name HD1#  )) (resid  15 and name HN  )  2.5  0.9  1.6
assign (resid  13 and name HG  ) (resid  15 and name HN  )  2.4  0.8  2.0
assign (resid  13 and name HA  ) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HD1# or name HD2#  )) (resid  16 and name HA  )  2.3  0.8  0.8
assign (resid  13 and (name HD2# or name HD1#  )) (resid  16 and name HA  )  2.4  0.8  0.8
assign (resid  13 and name HG  ) (resid  16 and name HN  )  2.6  0.9  1.8
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.2  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HE2#  )  2.6  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HG#  )  2.3  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.3  0.8  0.8
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HE2#  )  2.6  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HG#  )  2.3  0.8  0.8
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.3  0.8  0.8
assign (resid  14 and name HE2#  ) (resid  14 and name HG#  )  2.4  0.8  0.8
assign (resid  14 and name HE2#  ) (resid  14 and name HN  )  2.7  0.9  0.9
assign (resid  14 and name HG#  ) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HA  )  2.3  0.8  1.3
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  14 and (name HB2 or name HB1  )) (resid  15 and name HA  )  2.3  0.8  1.3
assign (resid  14 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  14 and name HE2#  ) (resid  15 and name HA  )  2.5  0.9  3.4
assign (resid  14 and name HE2#  ) (resid  15 and name HN  )  2.9  1.0  1.0
assign (resid  14 and name HG#  ) (resid  15 and name HA  )  2.4  0.8  2.7
assign (resid  14 and name HG#  ) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  14 and name HN  ) (resid  15 and name HD#  )  2.7  0.9  1.5
assign (resid  15 and name HA  ) (resid  15 and name HN  )  2.2  0.8  0.8
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HE  )  2.6  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.3  0.8  0.8
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HE  )  2.6  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.3  0.8  0.8
assign (resid  15 and name HD#  ) (resid  15 and name HE  )  2.4  0.8  0.8
assign (resid  15 and name HD#  ) (resid  15 and name HG#  )  2.2  0.8  0.8
assign (resid  15 and name HD#  ) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  15 and name HE  ) (resid  15 and name HG#  )  2.5  0.9  0.9
assign (resid  15 and name HG#  ) (resid  15 and name HN  )  2.3  0.8  0.8
assign (resid  15 and name HD#  ) (resid  16 and name HA  )  2.3  0.8  2.6
assign (resid  15 and name HG#  ) (resid  16 and name HA  )  2.3  0.8  2.6
assign (resid  15 and name HG#  ) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  15 and name HN  ) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  15 and (name HB2 or name HB1  )) (resid  17 and name HE#  )  2.2  0.8  0.8
assign (resid  15 and name HE  ) (resid  17 and name HD#  )  2.3  0.8  0.8
assign (resid  15 and name HN  ) (resid  17 and name HN  )  2.3  0.8  1.0
assign (resid  16 and name HA  ) (resid  16 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and (name HB2 or name HB1  )) 2.2  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and name HN  )  2.3  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.3  0.8  0.8
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.3  0.8  0.8
assign (resid  16 and name HD#  ) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  16 and name HG#  ) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  16 and name HA  ) (resid  17 and name HN  )  2.3  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  16 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.4  0.8  0.8
assign (resid  16 and name HN  ) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  17 and name HA  ) (resid  17 and name HG#  )  2.4  0.8  0.8
assign (resid  17 and name HA  ) (resid  17 and name HN  )  2.3  0.8  0.8
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.4  0.8  0.8
assign (resid  17 and name HD#  ) (resid  17 and name HN  )  2.9  1.0  1.0
assign (resid  17 and name HE#  ) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  17 and name HG#  ) (resid  17 and name HN  )  2.4  0.8  0.8
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           HT1      GLU   1   0.381  -9.504  -6.136
    2    H2   GLU   1           HT2      GLU   1  -0.012  -8.006  -5.439
    3    H3   GLU   1           HT3      GLU   1  -1.061  -8.718  -6.571
    4    HA   GLU   1           HA       GLU   1  -1.830 -10.274  -5.141
    5    HB2  GLU   1           HB2      GLU   1  -0.661 -10.962  -3.044
    6    HB3  GLU   1           HB1      GLU   1   0.399 -11.159  -4.484
    7    HG2  GLU   1           HG2      GLU   1   1.515  -8.945  -3.950
    8    HG3  GLU   1           HG1      GLU   1   0.493  -8.815  -2.464
    9    H    MET   2           HN       MET   2  -1.914  -7.188  -5.275
   10    HA   MET   2           HA       MET   2  -3.360  -6.923  -2.770
   11    HB2  MET   2           HB2      MET   2  -0.987  -5.308  -3.588
   12    HB3  MET   2           HB1      MET   2  -2.409  -4.346  -3.063
   13    HG2  MET   2           HG2      MET   2  -0.548  -6.103  -1.482
   14    HG3  MET   2           HG1      MET   2  -1.336  -4.551  -1.065
   15    HE1  MET   2           HE1      MET   2  -3.771  -4.532  -1.582
   16    HE2  MET   2           HE2      MET   2  -4.558  -4.888  -0.008
   17    HE3  MET   2           HE3      MET   2  -4.923  -5.901  -1.450
   18    H    ARG   3           HN       ARG   3  -4.368  -4.490  -2.944
   19    HA   ARG   3           HA       ARG   3  -5.716  -4.553  -5.456
   20    HB2  ARG   3           HB2      ARG   3  -6.865  -5.383  -3.240
   21    HB3  ARG   3           HB1      ARG   3  -6.801  -3.624  -2.827
   22    HG2  ARG   3           HG2      ARG   3  -7.980  -4.396  -5.509
   23    HG3  ARG   3           HG1      ARG   3  -8.953  -4.746  -4.034
   24    HD2  ARG   3           HD2      ARG   3  -7.709  -2.064  -3.882
   25    HD3  ARG   3           HD1      ARG   3  -8.754  -2.233  -5.367
   26    HE   ARG   3           HE       ARG   3 -10.182  -3.337  -3.126
   27   HH11  ARG   3          HH11      ARG   3  -8.910  -0.253  -4.369
   28   HH12  ARG   3          HH12      ARG   3 -10.124   0.729  -3.621
   29   HH21  ARG   3          HH21      ARG   3 -11.838  -2.003  -2.107
   30   HH22  ARG   3          HH22      ARG   3 -11.818  -0.284  -2.312
   31    H    LEU   4           HN       LEU   4  -4.229  -3.019  -2.869
   32    HA   LEU   4           HA       LEU   4  -5.121  -0.440  -3.393
   33    HB2  LEU   4           HB2      LEU   4  -2.465  -0.611  -2.332
   34    HB3  LEU   4           HB1      LEU   4  -3.910   0.057  -1.562
   35    HG   LEU   4           HG       LEU   4  -3.311  -2.845  -1.736
   36   HD11  LEU   4          HD11      LEU   4  -2.886  -1.843   0.927
   37   HD12  LEU   4          HD12      LEU   4  -1.952  -0.836  -0.265
   38   HD13  LEU   4          HD13      LEU   4  -1.728  -2.627  -0.230
   39   HD21  LEU   4          HD21      LEU   4  -4.935  -2.698   0.396
   40   HD22  LEU   4          HD22      LEU   4  -5.584  -2.772  -1.296
   41   HD23  LEU   4          HD23      LEU   4  -5.476  -1.184  -0.431
   42    H    SER   5           HN       SER   5  -2.454  -2.395  -3.822
   43    HA   SER   5           HA       SER   5  -0.456  -1.176  -4.614
   44    HB2  SER   5           HB2      SER   5   0.345  -3.157  -5.059
   45    HB3  SER   5           HB1      SER   5  -1.326  -3.675  -4.559
   46    HG   SER   5           HG       SER   5  -0.462  -3.141  -7.241
   47    H    LYS   6           HN       LYS   6  -3.130  -0.668  -6.573
   48    HA   LYS   6           HA       LYS   6  -1.458   0.245  -8.747
   49    HB2  LYS   6           HB2      LYS   6  -4.371   0.912  -7.953
   50    HB3  LYS   6           HB1      LYS   6  -3.552   1.443  -9.465
   51    HG2  LYS   6           HG2      LYS   6  -3.361  -0.908 -10.230
   52    HG3  LYS   6           HG1      LYS   6  -4.098  -1.490  -8.695
   53    HD2  LYS   6           HD2      LYS   6  -6.186  -0.248  -9.219
   54    HD3  LYS   6           HD1      LYS   6  -5.462   0.350 -10.752
   55    HE2  LYS   6           HE2      LYS   6  -5.269  -2.015 -11.588
   56    HE3  LYS   6           HE1      LYS   6  -5.996  -2.616 -10.039
   57    HZ1  LYS   6           HZ1      LYS   6  -7.943  -1.227 -10.555
   58    HZ2  LYS   6           HZ2      LYS   6  -7.659  -2.453 -11.694
   59    HZ3  LYS   6           HZ3      LYS   6  -7.263  -0.844 -12.062
   60    H    PHE   7           HN       PHE   7  -1.761   0.451  -5.488
   61    HA   PHE   7           HA       PHE   7  -2.136   3.207  -4.991
   62    HB2  PHE   7           HB2      PHE   7  -3.147   1.274  -3.932
   63    HB3  PHE   7           HB1      PHE   7  -1.635   0.833  -3.184
   64    HD1  PHE   7           HD1      PHE   7  -4.573   1.558  -2.432
   65    HD2  PHE   7           HD2      PHE   7  -0.789   3.380  -2.362
   66    HE1  PHE   7           HE1      PHE   7  -4.998   2.478  -0.266
   67    HE2  PHE   7           HE2      PHE   7  -1.048   4.330  -0.380
   68    HZ   PHE   7           HZ       PHE   7  -3.297   3.980   0.872
   69    H    PHE   8           HN       PHE   8  -0.177   0.609  -3.647
   70    HA   PHE   8           HA       PHE   8   1.223   2.681  -2.330
   71    HB2  PHE   8           HB2      PHE   8   2.635   0.556  -1.567
   72    HB3  PHE   8           HB1      PHE   8   1.090   0.917  -0.754
   73    HD1  PHE   8           HD1      PHE   8   3.081  -1.168  -2.229
   74    HD2  PHE   8           HD2      PHE   8  -0.881  -0.070  -1.691
   75    HE1  PHE   8           HE1      PHE   8   2.472  -3.284  -2.871
   76    HE2  PHE   8           HE2      PHE   8  -1.536  -2.243  -2.371
   77    HZ   PHE   8           HZ       PHE   8   0.141  -3.866  -2.919
   78    H    ARG   9           HN       ARG   9   1.152   0.131  -4.345
   79    HA   ARG   9           HA       ARG   9   3.822   0.080  -4.805
   80    HB2  ARG   9           HB2      ARG   9   1.323  -1.055  -5.787
   81    HB3  ARG   9           HB1      ARG   9   2.615  -0.933  -7.058
   82    HG2  ARG   9           HG2      ARG   9   3.188  -2.206  -4.347
   83    HG3  ARG   9           HG1      ARG   9   2.328  -3.153  -5.606
   84    HD2  ARG   9           HD2      ARG   9   5.001  -1.721  -6.155
   85    HD3  ARG   9           HD1      ARG   9   4.916  -3.421  -5.513
   86    HE   ARG   9           HE       ARG   9   3.189  -3.296  -7.778
   87   HH11  ARG   9          HH11      ARG   9   6.629  -2.884  -6.953
   88   HH12  ARG   9          HH12      ARG   9   7.222  -3.420  -8.489
   89   HH21  ARG   9          HH21      ARG   9   3.994  -4.026  -9.869
   90   HH22  ARG   9          HH22      ARG   9   5.697  -4.080 -10.175
   91    H    ASP  10           HN       ASP  10   1.467   2.143  -5.030
   92    HA   ASP  10           HA       ASP  10   2.663   3.204  -7.292
   93    HB2  ASP  10           HB2      ASP  10   0.460   2.190  -7.377
   94    HB3  ASP  10           HB1      ASP  10  -0.067   3.735  -6.614
   95    H    DPN  11           HN       DPN  11   2.307   3.679  -3.993
   96    HA   DPN  11           HA       DPN  11   2.015   6.534  -4.472
   97    HB2  DPN  11           HB1      DPN  11   4.524   6.272  -3.238
   98    HB3  DPN  11           HB2      DPN  11   4.181   6.988  -4.857
   99    HD1  DPN  11           HD1      DPN  11   4.520   5.545  -6.849
  100    HD2  DPN  11           HD2      DPN  11   4.937   4.454  -2.874
  101    HE1  DPN  11           HE1      DPN  11   4.918   3.192  -7.450
  102    HE2  DPN  11           HE2      DPN  11   5.319   2.275  -3.426
  103    HZ   DPN  11           HZ       DPN  11   5.220   1.710  -5.566
  104    H    ILE  12           HN       ILE  12   3.898   4.847  -2.042
  105    HA   ILE  12           HA       ILE  12   3.387   6.740  -0.113
  106    HB   ILE  12           HB       ILE  12   2.495   4.661   1.359
  107   HG12  ILE  12          HG12      ILE  12   0.662   3.615   0.076
  108   HG13  ILE  12          HG11      ILE  12   1.216   4.506  -1.402
  109   HG21  ILE  12          HG21      ILE  12   1.270   6.557   1.884
  110   HG22  ILE  12          HG22      ILE  12   0.107   5.949   0.646
  111   HG23  ILE  12          HG23      ILE  12   1.346   7.178   0.190
  112   HD11  ILE  12          HD11      ILE  12   3.422   3.345  -0.073
  113   HD12  ILE  12          HD12      ILE  12   2.859   3.135  -1.746
  114   HD13  ILE  12          HD13      ILE  12   2.219   2.131  -0.371
  115    H    LEU  13           HN       LEU  13   4.939   4.307  -1.715
  116    HA   LEU  13           HA       LEU  13   6.645   3.516   0.530
  117    HB2  LEU  13           HB2      LEU  13   6.671   2.452  -2.310
  118    HB3  LEU  13           HB1      LEU  13   7.202   1.606  -0.811
  119    HG   LEU  13           HG       LEU  13   4.431   2.427  -1.604
  120   HD11  LEU  13          HD11      LEU  13   4.582  -0.397  -1.390
  121   HD12  LEU  13          HD12      LEU  13   6.071   0.124  -2.275
  122   HD13  LEU  13          HD13      LEU  13   4.451   0.617  -2.890
  123   HD21  LEU  13          HD21      LEU  13   3.716   1.181   0.446
  124   HD22  LEU  13          HD22      LEU  13   4.795   2.599   0.816
  125   HD23  LEU  13          HD23      LEU  13   5.453   0.904   0.867
  126    H    GLN  14           HN       GLN  14   6.639   4.420  -2.943
  127    HA   GLN  14           HA       GLN  14   9.468   4.734  -3.003
  128    HB2  GLN  14           HB2      GLN  14   7.468   6.308  -4.700
  129    HB3  GLN  14           HB1      GLN  14   9.197   5.995  -5.098
  130    HG2  GLN  14           HG2      GLN  14   6.868   4.092  -5.022
  131    HG3  GLN  14           HG1      GLN  14   7.911   4.485  -6.432
  132   HE21  GLN  14          HE21      GLN  14   7.270   2.490  -3.813
  133   HE22  GLN  14          HE22      GLN  14   8.724   1.531  -3.784
  134    H    ARG  15           HN       ARG  15   6.794   6.395  -1.770
  135    HA   ARG  15           HA       ARG  15   8.435   8.804  -1.589
  136    HB2  ARG  15           HB2      ARG  15   5.655   8.830  -0.459
  137    HB3  ARG  15           HB1      ARG  15   6.511  10.106  -1.386
  138    HG2  ARG  15           HG2      ARG  15   5.730   9.357  -3.409
  139    HG3  ARG  15           HG1      ARG  15   5.832   7.622  -2.929
  140    HD2  ARG  15           HD2      ARG  15   3.452   8.276  -3.192
  141    HD3  ARG  15           HD1      ARG  15   3.820   7.918  -1.448
  142    HE   ARG  15           HE       ARG  15   3.539  10.244  -0.959
  143   HH11  ARG  15          HH11      ARG  15   3.556   9.636  -4.478
  144   HH12  ARG  15          HH12      ARG  15   3.000  11.219  -4.907
  145   HH21  ARG  15          HH21      ARG  15   2.783  12.390  -1.551
  146   HH22  ARG  15          HH22      ARG  15   2.554  12.810  -3.215
  147    H    LYS  16           HN       LYS  16   6.863   6.140  -0.025
  148    HA   LYS  16           HA       LYS  16   7.020   5.219   1.905
  149    HB2  LYS  16           HB2      LYS  16   8.828   7.532   2.697
  150    HB3  LYS  16           HB1      LYS  16   8.462   6.149   3.768
  151    HG2  LYS  16           HG2      LYS  16   9.860   5.952   1.033
  152    HG3  LYS  16           HG1      LYS  16  10.696   5.957   2.624
  153    HD2  LYS  16           HD2      LYS  16   9.374   3.896   3.278
  154    HD3  LYS  16           HD1      LYS  16   8.653   3.875   1.630
  155    HE2  LYS  16           HE2      LYS  16  10.941   3.591   0.626
  156    HE3  LYS  16           HE1      LYS  16  11.670   3.616   2.286
  157    HZ1  LYS  16           HZ1      LYS  16   9.664   1.760   2.407
  158    HZ2  LYS  16           HZ2      LYS  16  11.331   1.465   2.282
  159    HZ3  LYS  16           HZ3      LYS  16  10.368   1.505   0.884
  160    H    LYS  17           HN       LYS  17   5.372   7.788   1.115
  161    HA   LYS  17           HA       LYS  17   3.698   7.555   3.319
  162    HB2  LYS  17           HB2      LYS  17   3.837  10.125   3.940
  163    HB3  LYS  17           HB1      LYS  17   4.966   8.970   4.722
  164    HG2  LYS  17           HG2      LYS  17   6.507  10.554   4.102
  165    HG3  LYS  17           HG1      LYS  17   6.506   9.598   2.587
  166    HD2  LYS  17           HD2      LYS  17   4.509  11.291   1.925
  167    HD3  LYS  17           HD1      LYS  17   5.297  12.329   3.165
  168    HE2  LYS  17           HE2      LYS  17   7.482  12.142   1.934
  169    HE3  LYS  17           HE1      LYS  17   6.678  11.099   0.686
  170    HZ1  LYS  17           HZ1      LYS  17   5.804  12.863  -0.264
  171    HZ2  LYS  17           HZ2      LYS  17   6.863  13.806   0.670
  172    HZ3  LYS  17           HZ3      LYS  17   5.270  13.545   1.196
  Start of MODEL    2
    1    H1   GLU   1           HT1      GLU   1   0.290 -11.130  -4.369
    2    H2   GLU   1           HT2      GLU   1  -0.036 -10.159  -3.014
    3    H3   GLU   1           HT3      GLU   1   0.686  -9.478  -4.392
    4    HA   GLU   1           HA       GLU   1  -1.214  -9.501  -5.606
    5    HB2  GLU   1           HB2      GLU   1  -1.708 -11.931  -5.181
    6    HB3  GLU   1           HB1      GLU   1  -2.346 -11.494  -3.556
    7    HG2  GLU   1           HG2      GLU   1  -4.174 -10.142  -4.606
    8    HG3  GLU   1           HG1      GLU   1  -3.525 -10.522  -6.251
    9    H    MET   2           HN       MET   2  -1.807  -7.381  -5.243
   10    HA   MET   2           HA       MET   2  -3.333  -6.923  -2.792
   11    HB2  MET   2           HB2      MET   2  -0.920  -5.417  -3.771
   12    HB3  MET   2           HB1      MET   2  -2.300  -4.428  -3.188
   13    HG2  MET   2           HG2      MET   2  -0.366  -6.153  -1.674
   14    HG3  MET   2           HG1      MET   2  -1.147  -4.603  -1.241
   15    HE1  MET   2           HE1      MET   2  -4.221  -4.849  -0.031
   16    HE2  MET   2           HE2      MET   2  -4.783  -6.000  -1.292
   17    HE3  MET   2           HE3      MET   2  -3.646  -4.683  -1.724
   18    H    ARG   3           HN       ARG   3  -4.318  -4.593  -3.037
   19    HA   ARG   3           HA       ARG   3  -5.588  -4.636  -5.615
   20    HB2  ARG   3           HB2      ARG   3  -6.567  -4.427  -2.810
   21    HB3  ARG   3           HB1      ARG   3  -7.527  -3.651  -4.124
   22    HG2  ARG   3           HG2      ARG   3  -8.580  -5.763  -3.862
   23    HG3  ARG   3           HG1      ARG   3  -7.462  -6.051  -5.245
   24    HD2  ARG   3           HD2      ARG   3  -6.208  -7.574  -4.051
   25    HD3  ARG   3           HD1      ARG   3  -6.159  -6.493  -2.590
   26    HE   ARG   3           HE       ARG   3  -8.175  -7.522  -1.795
   27   HH11  ARG   3          HH11      ARG   3  -7.248  -8.678  -5.040
   28   HH12  ARG   3          HH12      ARG   3  -8.311 -10.045  -5.024
   29   HH21  ARG   3          HH21      ARG   3  -9.620  -9.380  -1.780
   30   HH22  ARG   3          HH22      ARG   3  -9.682 -10.448  -3.141
   31    H    LEU   4           HN       LEU   4  -4.138  -3.160  -3.006
   32    HA   LEU   4           HA       LEU   4  -5.119  -0.578  -3.460
   33    HB2  LEU   4           HB2      LEU   4  -2.461  -0.704  -2.396
   34    HB3  LEU   4           HB1      LEU   4  -3.923  -0.087  -1.616
   35    HG   LEU   4           HG       LEU   4  -3.253  -2.968  -1.849
   36   HD11  LEU   4          HD11      LEU   4  -1.684  -2.746  -0.334
   37   HD12  LEU   4          HD12      LEU   4  -2.865  -2.012   0.835
   38   HD13  LEU   4          HD13      LEU   4  -1.949  -0.961  -0.332
   39   HD21  LEU   4          HD21      LEU   4  -4.895  -2.848   0.304
   40   HD22  LEU   4          HD22      LEU   4  -5.509  -3.018  -1.395
   41   HD23  LEU   4          HD23      LEU   4  -5.492  -1.394  -0.590
   42    H    SER   5           HN       SER   5  -2.411  -2.458  -3.924
   43    HA   SER   5           HA       SER   5  -0.436  -1.196  -4.698
   44    HB2  SER   5           HB2      SER   5   0.390  -3.159  -5.176
   45    HB3  SER   5           HB1      SER   5  -1.276  -3.710  -4.687
   46    HG   SER   5           HG       SER   5  -0.430  -3.103  -7.361
   47    H    LYS   6           HN       LYS   6  -3.113  -0.675  -6.619
   48    HA   LYS   6           HA       LYS   6  -1.452   0.297  -8.786
   49    HB2  LYS   6           HB2      LYS   6  -4.371   1.007  -8.056
   50    HB3  LYS   6           HB1      LYS   6  -3.521   1.424  -9.585
   51    HG2  LYS   6           HG2      LYS   6  -4.215  -1.434  -8.659
   52    HG3  LYS   6           HG1      LYS   6  -5.156  -0.469  -9.849
   53    HD2  LYS   6           HD2      LYS   6  -3.119  -0.351 -11.329
   54    HD3  LYS   6           HD1      LYS   6  -2.218  -1.364 -10.149
   55    HE2  LYS   6           HE2      LYS   6  -3.862  -3.237 -10.497
   56    HE3  LYS   6           HE1      LYS   6  -4.762  -2.215 -11.695
   57    HZ1  LYS   6           HZ1      LYS   6  -3.387  -3.008 -13.183
   58    HZ2  LYS   6           HZ2      LYS   6  -2.400  -3.755 -12.021
   59    HZ3  LYS   6           HZ3      LYS   6  -2.120  -2.139 -12.459
   60    H    PHE   7           HN       PHE   7  -1.770   0.429  -5.537
   61    HA   PHE   7           HA       PHE   7  -2.199   3.168  -4.979
   62    HB2  PHE   7           HB2      PHE   7  -3.171   1.191  -3.964
   63    HB3  PHE   7           HB1      PHE   7  -1.651   0.763  -3.226
   64    HD1  PHE   7           HD1      PHE   7  -4.607   1.426  -2.466
   65    HD2  PHE   7           HD2      PHE   7  -0.848   3.294  -2.342
   66    HE1  PHE   7           HE1      PHE   7  -5.049   2.289  -0.278
   67    HE2  PHE   7           HE2      PHE   7  -1.122   4.192  -0.339
   68    HZ   PHE   7           HZ       PHE   7  -3.370   3.784   0.900
   69    H    PHE   8           HN       PHE   8  -0.192   0.577  -3.693
   70    HA   PHE   8           HA       PHE   8   1.178   2.646  -2.337
   71    HB2  PHE   8           HB2      PHE   8   2.621   0.528  -1.616
   72    HB3  PHE   8           HB1      PHE   8   1.072   0.851  -0.795
   73    HD1  PHE   8           HD1      PHE   8   3.093  -1.168  -2.328
   74    HD2  PHE   8           HD2      PHE   8  -0.885  -0.156  -1.740
   75    HE1  PHE   8           HE1      PHE   8   2.521  -3.277  -3.015
   76    HE2  PHE   8           HE2      PHE   8  -1.503  -2.325  -2.470
   77    HZ   PHE   8           HZ       PHE   8   0.203  -3.904  -3.064
   78    H    ARG   9           HN       ARG   9   1.143   0.141  -4.411
   79    HA   ARG   9           HA       ARG   9   3.816   0.148  -4.865
   80    HB2  ARG   9           HB2      ARG   9   1.338  -1.008  -5.879
   81    HB3  ARG   9           HB1      ARG   9   2.630  -0.834  -7.143
   82    HG2  ARG   9           HG2      ARG   9   3.226  -2.158  -4.462
   83    HG3  ARG   9           HG1      ARG   9   2.376  -3.092  -5.738
   84    HD2  ARG   9           HD2      ARG   9   5.023  -1.607  -6.269
   85    HD3  ARG   9           HD1      ARG   9   4.969  -3.319  -5.655
   86    HE   ARG   9           HE       ARG   9   3.230  -3.181  -7.913
   87   HH11  ARG   9          HH11      ARG   9   6.668  -2.738  -7.091
   88   HH12  ARG   9          HH12      ARG   9   7.262  -3.242  -8.638
   89   HH21  ARG   9          HH21      ARG   9   4.037  -3.866 -10.017
   90   HH22  ARG   9          HH22      ARG   9   5.740  -3.893 -10.330
   91    H    ASP  10           HN       ASP  10   1.425   2.173  -5.040
   92    HA   ASP  10           HA       ASP  10   2.602   3.310  -7.274
   93    HB2  ASP  10           HB2      ASP  10   0.418   2.256  -7.390
   94    HB3  ASP  10           HB1      ASP  10  -0.141   3.773  -6.591
   95    H    DPN  11           HN       DPN  11   2.238   3.702  -3.968
   96    HA   DPN  11           HA       DPN  11   1.884   6.561  -4.378
   97    HB2  DPN  11           HB1      DPN  11   4.398   6.330  -3.156
   98    HB3  DPN  11           HB2      DPN  11   4.039   7.069  -4.758
   99    HD1  DPN  11           HD1      DPN  11   4.405   5.673  -6.777
  100    HD2  DPN  11           HD2      DPN  11   4.859   4.510  -2.824
  101    HE1  DPN  11           HE1      DPN  11   4.845   3.342  -7.429
  102    HE2  DPN  11           HE2      DPN  11   5.280   2.345  -3.425
  103    HZ   DPN  11           HZ       DPN  11   5.183   1.822  -5.582
  104    H    ILE  12           HN       ILE  12   3.820   4.877  -2.004
  105    HA   ILE  12           HA       ILE  12   3.223   6.687  -0.013
  106    HB   ILE  12           HB       ILE  12   2.399   4.541   1.399
  107   HG12  ILE  12          HG12      ILE  12   0.613   3.465   0.082
  108   HG13  ILE  12          HG11      ILE  12   1.139   4.413  -1.371
  109   HG21  ILE  12          HG21      ILE  12   0.005   5.851   0.430
  110   HG22  ILE  12          HG22      ILE  12   1.305   7.095   0.467
  111   HG23  ILE  12          HG23      ILE  12   0.889   6.179   1.966
  112   HD11  ILE  12          HD11      ILE  12   3.381   3.310  -0.071
  113   HD12  ILE  12          HD12      ILE  12   2.816   3.103  -1.745
  114   HD13  ILE  12          HD13      ILE  12   2.226   2.050  -0.383
  115    H    LEU  13           HN       LEU  13   4.831   4.277  -1.659
  116    HA   LEU  13           HA       LEU  13   6.583   3.505   0.555
  117    HB2  LEU  13           HB2      LEU  13   6.622   2.493  -2.301
  118    HB3  LEU  13           HB1      LEU  13   7.169   1.632  -0.816
  119    HG   LEU  13           HG       LEU  13   4.393   2.424  -1.596
  120   HD11  LEU  13          HD11      LEU  13   4.463   0.656  -2.933
  121   HD12  LEU  13          HD12      LEU  13   4.549  -0.389  -1.446
  122   HD13  LEU  13          HD13      LEU  13   6.062   0.138  -2.281
  123   HD21  LEU  13          HD21      LEU  13   3.700   1.132   0.443
  124   HD22  LEU  13          HD22      LEU  13   4.753   2.568   0.830
  125   HD23  LEU  13          HD23      LEU  13   5.445   0.884   0.853
  126    H    GLN  14           HN       GLN  14   6.565   4.471  -2.909
  127    HA   GLN  14           HA       GLN  14   9.397   4.757  -2.972
  128    HB2  GLN  14           HB2      GLN  14   7.415   6.394  -4.634
  129    HB3  GLN  14           HB1      GLN  14   9.141   6.073  -5.037
  130    HG2  GLN  14           HG2      GLN  14   6.795   4.190  -5.005
  131    HG3  GLN  14           HG1      GLN  14   7.837   4.610  -6.407
  132   HE21  GLN  14          HE21      GLN  14   7.194   2.558  -3.828
  133   HE22  GLN  14          HE22      GLN  14   8.640   1.588  -3.831
  134    H    ARG  15           HN       ARG  15   6.744   6.413  -1.717
  135    HA   ARG  15           HA       ARG  15   8.372   8.822  -1.506
  136    HB2  ARG  15           HB2      ARG  15   5.636   8.768  -0.237
  137    HB3  ARG  15           HB1      ARG  15   6.435  10.086  -1.162
  138    HG2  ARG  15           HG2      ARG  15   5.593   9.375  -3.177
  139    HG3  ARG  15           HG1      ARG  15   5.702   7.631  -2.731
  140    HD2  ARG  15           HD2      ARG  15   3.307   8.419  -2.914
  141    HD3  ARG  15           HD1      ARG  15   3.742   7.832  -1.251
  142    HE   ARG  15           HE       ARG  15   3.500  10.058  -0.439
  143   HH11  ARG  15          HH11      ARG  15   3.523   9.972  -4.010
  144   HH12  ARG  15          HH12      ARG  15   3.088  11.636  -4.205
  145   HH21  ARG  15          HH21      ARG  15   2.919  12.325  -0.717
  146   HH22  ARG  15          HH22      ARG  15   2.740  12.994  -2.303
  147    H    LYS  16           HN       LYS  16   6.894   6.081   0.079
  148    HA   LYS  16           HA       LYS  16   6.925   5.243   2.095
  149    HB2  LYS  16           HB2      LYS  16   9.310   7.112   2.272
  150    HB3  LYS  16           HB1      LYS  16   8.721   6.326   3.767
  151    HG2  LYS  16           HG2      LYS  16  10.054   4.572   3.245
  152    HG3  LYS  16           HG1      LYS  16   8.890   4.198   1.925
  153    HD2  LYS  16           HD2      LYS  16  10.937   4.303   0.771
  154    HD3  LYS  16           HD1      LYS  16  10.260   5.949   0.515
  155    HE2  LYS  16           HE2      LYS  16  11.711   6.863   2.327
  156    HE3  LYS  16           HE1      LYS  16  12.340   5.201   2.690
  157    HZ1  LYS  16           HZ1      LYS  16  13.549   6.873   1.084
  158    HZ2  LYS  16           HZ2      LYS  16  12.523   6.161  -0.067
  159    HZ3  LYS  16           HZ3      LYS  16  13.583   5.193   0.840
  160    H    LYS  17           HN       LYS  17   5.499   7.644   1.231
  161    HA   LYS  17           HA       LYS  17   4.216   9.245   1.930
  162    HB2  LYS  17           HB2      LYS  17   4.074   7.248   4.101
  163    HB3  LYS  17           HB1      LYS  17   3.795   8.914   4.724
  164    HG2  LYS  17           HG2      LYS  17   2.306   7.512   2.445
  165    HG3  LYS  17           HG1      LYS  17   1.653   7.933   4.066
  166    HD2  LYS  17           HD2      LYS  17   1.042   9.986   3.310
  167    HD3  LYS  17           HD1      LYS  17   2.741  10.348   2.849
  168    HE2  LYS  17           HE2      LYS  17   2.395   9.215   0.637
  169    HE3  LYS  17           HE1      LYS  17   0.666   8.885   1.093
  170    HZ1  LYS  17           HZ1      LYS  17   1.342  10.980  -0.255
  171    HZ2  LYS  17           HZ2      LYS  17   1.687  11.631   1.277
  172    HZ3  LYS  17           HZ3      LYS  17   0.127  11.058   0.929
  Start of MODEL    3
    1    H1   GLU   1           HT1      GLU   1  -0.259  -9.028  -3.440
    2    H2   GLU   1           HT2      GLU   1   0.552  -9.995  -4.577
    3    H3   GLU   1           HT3      GLU   1  -1.031 -10.389  -4.105
    4    HA   GLU   1           HA       GLU   1  -0.088  -8.518  -6.054
    5    HB2  GLU   1           HB2      GLU   1  -1.561 -10.483  -6.566
    6    HB3  GLU   1           HB1      GLU   1  -2.813  -9.816  -5.464
    7    HG2  GLU   1           HG2      GLU   1  -3.445  -9.320  -7.799
    8    HG3  GLU   1           HG1      GLU   1  -3.010  -7.771  -6.977
    9    H    MET   2           HN       MET   2  -2.519  -8.520  -3.368
   10    HA   MET   2           HA       MET   2  -3.518  -6.839  -2.312
   11    HB2  MET   2           HB2      MET   2  -1.086  -5.413  -3.338
   12    HB3  MET   2           HB1      MET   2  -2.469  -4.375  -2.859
   13    HG2  MET   2           HG2      MET   2  -0.597  -6.026  -1.185
   14    HG3  MET   2           HG1      MET   2  -1.360  -4.437  -0.876
   15    HE1  MET   2           HE1      MET   2  -4.401  -4.499   0.307
   16    HE2  MET   2           HE2      MET   2  -5.029  -5.714  -0.856
   17    HE3  MET   2           HE3      MET   2  -3.839  -4.489  -1.400
   18    H    ARG   3           HN       ARG   3  -4.333  -4.397  -2.786
   19    HA   ARG   3           HA       ARG   3  -5.699  -4.627  -5.297
   20    HB2  ARG   3           HB2      ARG   3  -6.646  -4.222  -2.502
   21    HB3  ARG   3           HB1      ARG   3  -7.605  -3.511  -3.854
   22    HG2  ARG   3           HG2      ARG   3  -8.722  -5.550  -3.611
   23    HG3  ARG   3           HG1      ARG   3  -7.458  -6.049  -4.793
   24    HD2  ARG   3           HD2      ARG   3  -6.894  -7.681  -3.262
   25    HD3  ARG   3           HD1      ARG   3  -6.156  -6.322  -2.292
   26    HE   ARG   3           HE       ARG   3  -8.984  -6.438  -1.736
   27   HH11  ARG   3          HH11      ARG   3  -5.963  -8.270  -1.289
   28   HH12  ARG   3          HH12      ARG   3  -6.446  -9.001   0.205
   29   HH21  ARG   3          HH21      ARG   3  -9.644  -7.434   0.294
   30   HH22  ARG   3          HH22      ARG   3  -8.576  -8.518   1.119
   31    H    LEU   4           HN       LEU   4  -4.269  -3.009  -2.749
   32    HA   LEU   4           HA       LEU   4  -5.162  -0.440  -3.391
   33    HB2  LEU   4           HB2      LEU   4  -2.528  -0.567  -2.265
   34    HB3  LEU   4           HB1      LEU   4  -3.992   0.128  -1.552
   35    HG   LEU   4           HG       LEU   4  -3.384  -2.780  -1.604
   36   HD11  LEU   4          HD11      LEU   4  -1.843  -2.504  -0.069
   37   HD12  LEU   4          HD12      LEU   4  -3.031  -1.675   1.029
   38   HD13  LEU   4          HD13      LEU   4  -2.064  -0.717  -0.179
   39   HD21  LEU   4          HD21      LEU   4  -5.066  -2.474   0.513
   40   HD22  LEU   4          HD22      LEU   4  -5.640  -2.778  -1.181
   41   HD23  LEU   4          HD23      LEU   4  -5.622  -1.093  -0.513
   42    H    SER   5           HN       SER   5  -2.497  -2.418  -3.689
   43    HA   SER   5           HA       SER   5  -0.474  -1.254  -4.488
   44    HB2  SER   5           HB2      SER   5   0.318  -3.260  -4.900
   45    HB3  SER   5           HB1      SER   5  -1.343  -3.724  -4.315
   46    HG   SER   5           HG       SER   5  -1.113  -4.803  -6.179
   47    H    LYS   6           HN       LYS   6  -3.109  -0.802  -6.521
   48    HA   LYS   6           HA       LYS   6  -1.388   0.013  -8.694
   49    HB2  LYS   6           HB2      LYS   6  -4.308   0.740  -7.982
   50    HB3  LYS   6           HB1      LYS   6  -3.453   1.212  -9.495
   51    HG2  LYS   6           HG2      LYS   6  -3.295  -1.143 -10.204
   52    HG3  LYS   6           HG1      LYS   6  -4.006  -1.698  -8.649
   53    HD2  LYS   6           HD2      LYS   6  -6.110  -0.460  -9.175
   54    HD3  LYS   6           HD1      LYS   6  -5.410   0.073 -10.742
   55    HE2  LYS   6           HE2      LYS   6  -5.832  -2.885  -9.931
   56    HE3  LYS   6           HE1      LYS   6  -6.957  -1.924 -10.980
   57    HZ1  LYS   6           HZ1      LYS   6  -5.697  -2.533 -12.645
   58    HZ2  LYS   6           HZ2      LYS   6  -4.520  -3.219 -11.633
   59    HZ3  LYS   6           HZ3      LYS   6  -4.439  -1.571 -12.034
   60    H    PHE   7           HN       PHE   7  -1.748   0.351  -5.452
   61    HA   PHE   7           HA       PHE   7  -2.104   3.127  -5.068
   62    HB2  PHE   7           HB2      PHE   7  -3.153   1.245  -3.957
   63    HB3  PHE   7           HB1      PHE   7  -1.660   0.818  -3.163
   64    HD1  PHE   7           HD1      PHE   7  -4.606   1.605  -2.502
   65    HD2  PHE   7           HD2      PHE   7  -0.801   3.381  -2.417
   66    HE1  PHE   7           HE1      PHE   7  -5.062   2.606  -0.379
   67    HE2  PHE   7           HE2      PHE   7  -1.088   4.404  -0.476
   68    HZ   PHE   7           HZ       PHE   7  -3.367   4.127   0.740
   69    H    PHE   8           HN       PHE   8  -0.198   0.565  -3.590
   70    HA   PHE   8           HA       PHE   8   1.202   2.670  -2.326
   71    HB2  PHE   8           HB2      PHE   8   2.576   0.558  -1.459
   72    HB3  PHE   8           HB1      PHE   8   1.020   0.967  -0.688
   73    HD1  PHE   8           HD1      PHE   8   3.012  -1.190  -2.063
   74    HD2  PHE   8           HD2      PHE   8  -0.944  -0.035  -1.612
   75    HE1  PHE   8           HE1      PHE   8   2.389  -3.320  -2.639
   76    HE2  PHE   8           HE2      PHE   8  -1.614  -2.222  -2.225
   77    HZ   PHE   8           HZ       PHE   8   0.052  -3.882  -2.696
   78    H    ARG   9           HN       ARG   9   1.134   0.058  -4.260
   79    HA   ARG   9           HA       ARG   9   3.815  -0.039  -4.657
   80    HB2  ARG   9           HB2      ARG   9   1.329  -1.194  -5.640
   81    HB3  ARG   9           HB1      ARG   9   2.640  -1.125  -6.894
   82    HG2  ARG   9           HG2      ARG   9   3.157  -2.305  -4.129
   83    HG3  ARG   9           HG1      ARG   9   2.320  -3.291  -5.373
   84    HD2  ARG   9           HD2      ARG   9   5.011  -1.887  -5.912
   85    HD3  ARG   9           HD1      ARG   9   4.904  -3.565  -5.218
   86    HE   ARG   9           HE       ARG   9   3.224  -3.508  -7.520
   87   HH11  ARG   9          HH11      ARG   9   6.649  -3.075  -6.642
   88   HH12  ARG   9          HH12      ARG   9   7.270  -3.659  -8.149
   89   HH21  ARG   9          HH21      ARG   9   4.067  -4.303  -9.571
   90   HH22  ARG   9          HH22      ARG   9   5.776  -4.368  -9.843
   91    H    ASP  10           HN       ASP  10   1.484   2.035  -4.999
   92    HA   ASP  10           HA       ASP  10   2.740   3.002  -7.271
   93    HB2  ASP  10           HB2      ASP  10   0.559   2.025  -7.450
   94    HB3  ASP  10           HB1      ASP  10  -0.006   3.532  -6.642
   95    H    DPN  11           HN       DPN  11   2.326   3.594  -4.001
   96    HA   DPN  11           HA       DPN  11   2.066   6.432  -4.580
   97    HB2  DPN  11           HB1      DPN  11   4.552   6.195  -3.296
   98    HB3  DPN  11           HB2      DPN  11   4.242   6.855  -4.945
   99    HD1  DPN  11           HD1      DPN  11   4.608   5.343  -6.879
  100    HD2  DPN  11           HD2      DPN  11   4.940   4.386  -2.861
  101    HE1  DPN  11           HE1      DPN  11   4.994   2.966  -7.391
  102    HE2  DPN  11           HE2      DPN  11   5.310   2.186  -3.331
  103    HZ   DPN  11           HZ       DPN  11   5.246   1.547  -5.451
  104    H    ILE  12           HN       ILE  12   3.900   4.823  -2.059
  105    HA   ILE  12           HA       ILE  12   3.370   6.776  -0.210
  106    HB   ILE  12           HB       ILE  12   2.425   4.763   1.318
  107   HG12  ILE  12          HG12      ILE  12   0.606   3.688   0.042
  108   HG13  ILE  12          HG11      ILE  12   1.191   4.522  -1.456
  109   HG21  ILE  12          HG21      ILE  12   1.336   7.254   0.049
  110   HG22  ILE  12          HG22      ILE  12   1.203   6.681   1.756
  111   HG23  ILE  12          HG23      ILE  12   0.066   6.057   0.501
  112   HD11  ILE  12          HD11      ILE  12   2.831   3.132  -1.730
  113   HD12  ILE  12          HD12      ILE  12   2.163   2.177  -0.327
  114   HD13  ILE  12          HD13      ILE  12   3.364   3.384  -0.052
  115    H    LEU  13           HN       LEU  13   4.921   4.273  -1.697
  116    HA   LEU  13           HA       LEU  13   6.579   3.543   0.604
  117    HB2  LEU  13           HB2      LEU  13   6.644   2.383  -2.197
  118    HB3  LEU  13           HB1      LEU  13   7.139   1.583  -0.660
  119    HG   LEU  13           HG       LEU  13   4.392   2.404  -1.532
  120   HD11  LEU  13          HD11      LEU  13   4.424   0.554  -2.761
  121   HD12  LEU  13          HD12      LEU  13   4.501  -0.410  -1.221
  122   HD13  LEU  13          HD13      LEU  13   6.019   0.057  -2.084
  123   HD21  LEU  13          HD21      LEU  13   3.626   1.235   0.545
  124   HD22  LEU  13          HD22      LEU  13   4.710   2.658   0.885
  125   HD23  LEU  13          HD23      LEU  13   5.353   0.959   1.009
  126    H    GLN  14           HN       GLN  14   6.639   4.335  -2.896
  127    HA   GLN  14           HA       GLN  14   9.473   4.617  -2.917
  128    HB2  GLN  14           HB2      GLN  14   7.516   6.153  -4.698
  129    HB3  GLN  14           HB1      GLN  14   9.249   5.816  -5.055
  130    HG2  GLN  14           HG2      GLN  14   6.905   3.933  -4.960
  131    HG3  GLN  14           HG1      GLN  14   7.976   4.273  -6.363
  132   HE21  GLN  14          HE21      GLN  14   7.272   2.370  -3.691
  133   HE22  GLN  14          HE22      GLN  14   8.717   1.400  -3.606
  134    H    ARG  15           HN       ARG  15   6.792   6.341  -1.785
  135    HA   ARG  15           HA       ARG  15   8.455   8.736  -1.649
  136    HB2  ARG  15           HB2      ARG  15   5.653   8.821  -0.570
  137    HB3  ARG  15           HB1      ARG  15   6.540  10.062  -1.515
  138    HG2  ARG  15           HG2      ARG  15   5.810   9.251  -3.538
  139    HG3  ARG  15           HG1      ARG  15   5.858   7.534  -2.992
  140    HD2  ARG  15           HD2      ARG  15   3.507   8.236  -3.354
  141    HD3  ARG  15           HD1      ARG  15   3.809   7.930  -1.583
  142    HE   ARG  15           HE       ARG  15   4.351  10.689  -2.011
  143   HH11  ARG  15          HH11      ARG  15   1.605   8.439  -2.403
  144   HH12  ARG  15          HH12      ARG  15   0.392   9.648  -2.140
  145   HH21  ARG  15          HH21      ARG  15   2.695  12.314  -1.651
  146   HH22  ARG  15          HH22      ARG  15   1.020  11.881  -1.705
  147    H    LYS  16           HN       LYS  16   6.829   6.140  -0.030
  148    HA   LYS  16           HA       LYS  16   6.949   5.275   1.926
  149    HB2  LYS  16           HB2      LYS  16   8.780   7.583   2.674
  150    HB3  LYS  16           HB1      LYS  16   8.378   6.240   3.783
  151    HG2  LYS  16           HG2      LYS  16   9.809   5.935   1.075
  152    HG3  LYS  16           HG1      LYS  16  10.625   5.979   2.677
  153    HD2  LYS  16           HD2      LYS  16   9.260   3.960   3.377
  154    HD3  LYS  16           HD1      LYS  16   8.563   3.897   1.719
  155    HE2  LYS  16           HE2      LYS  16  10.861   3.545   0.761
  156    HE3  LYS  16           HE1      LYS  16  11.566   3.613   2.430
  157    HZ1  LYS  16           HZ1      LYS  16  11.184   1.473   2.510
  158    HZ2  LYS  16           HZ2      LYS  16  10.273   1.474   1.076
  159    HZ3  LYS  16           HZ3      LYS  16   9.518   1.792   2.563
  160    H    LYS  17           HN       LYS  17   5.346   7.848   1.044
  161    HA   LYS  17           HA       LYS  17   3.702   7.697   3.308
  162    HB2  LYS  17           HB2      LYS  17   3.799  10.350   3.640
  163    HB3  LYS  17           HB1      LYS  17   4.901   9.277   4.563
  164    HG2  LYS  17           HG2      LYS  17   6.379  10.906   3.789
  165    HG3  LYS  17           HG1      LYS  17   6.565   9.633   2.543
  166    HD2  LYS  17           HD2      LYS  17   4.742  10.932   1.189
  167    HD3  LYS  17           HD1      LYS  17   5.008  12.273   2.357
  168    HE2  LYS  17           HE2      LYS  17   7.468  12.279   1.744
  169    HE3  LYS  17           HE1      LYS  17   7.128  10.987   0.516
  170    HZ1  LYS  17           HZ1      LYS  17   5.964  13.724   0.598
  171    HZ2  LYS  17           HZ2      LYS  17   5.546  12.512  -0.515
  172    HZ3  LYS  17           HZ3      LYS  17   7.126  13.132  -0.489
  Start of MODEL    4
    1    H1   GLU   1           HT1      GLU   1  -2.721  -9.315  -5.897
    2    H2   GLU   1           HT2      GLU   1  -1.793 -10.692  -6.253
    3    H3   GLU   1           HT3      GLU   1  -1.244  -9.155  -6.722
    4    HA   GLU   1           HA       GLU   1  -1.015 -10.516  -4.221
    5    HB2  GLU   1           HB2      GLU   1   0.333  -8.005  -5.376
    6    HB3  GLU   1           HB1      GLU   1   0.905  -8.919  -3.937
    7    HG2  GLU   1           HG2      GLU   1   0.740 -10.036  -6.821
    8    HG3  GLU   1           HG1      GLU   1   2.244  -9.497  -5.975
    9    H    MET   2           HN       MET   2  -1.975  -7.181  -5.290
   10    HA   MET   2           HA       MET   2  -3.371  -6.924  -2.767
   11    HB2  MET   2           HB2      MET   2  -1.003  -5.296  -3.563
   12    HB3  MET   2           HB1      MET   2  -2.431  -4.338  -3.046
   13    HG2  MET   2           HG2      MET   2  -0.578  -6.100  -1.458
   14    HG3  MET   2           HG1      MET   2  -1.365  -4.547  -1.042
   15    HE1  MET   2           HE1      MET   2  -4.594  -4.882  -0.001
   16    HE2  MET   2           HE2      MET   2  -4.951  -5.885  -1.452
   17    HE3  MET   2           HE3      MET   2  -3.796  -4.519  -1.568
   18    H    ARG   3           HN       ARG   3  -4.381  -4.482  -2.934
   19    HA   ARG   3           HA       ARG   3  -5.734  -4.548  -5.443
   20    HB2  ARG   3           HB2      ARG   3  -6.878  -5.374  -3.222
   21    HB3  ARG   3           HB1      ARG   3  -6.812  -3.614  -2.813
   22    HG2  ARG   3           HG2      ARG   3  -7.999  -4.388  -5.491
   23    HG3  ARG   3           HG1      ARG   3  -8.968  -4.736  -4.012
   24    HD2  ARG   3           HD2      ARG   3  -7.719  -2.054  -3.872
   25    HD3  ARG   3           HD1      ARG   3  -8.778  -2.227  -5.348
   26    HE   ARG   3           HE       ARG   3 -10.192  -3.325  -3.101
   27   HH11  ARG   3          HH11      ARG   3  -8.909  -0.241  -4.331
   28   HH12  ARG   3          HH12      ARG   3 -10.111   0.743  -3.566
   29   HH21  ARG   3          HH21      ARG   3 -11.830  -1.989  -2.059
   30   HH22  ARG   3          HH22      ARG   3 -11.800  -0.269  -2.251
   31    H    LEU   4           HN       LEU   4  -4.239  -3.012  -2.863
   32    HA   LEU   4           HA       LEU   4  -5.130  -0.432  -3.392
   33    HB2  LEU   4           HB2      LEU   4  -2.473  -0.606  -2.330
   34    HB3  LEU   4           HB1      LEU   4  -3.916   0.068  -1.563
   35    HG   LEU   4           HG       LEU   4  -3.324  -2.835  -1.727
   36   HD11  LEU   4          HD11      LEU   4  -1.739  -2.614  -0.225
   37   HD12  LEU   4          HD12      LEU   4  -2.897  -1.829   0.932
   38   HD13  LEU   4          HD13      LEU   4  -1.963  -0.824  -0.260
   39   HD21  LEU   4          HD21      LEU   4  -5.599  -2.754  -1.289
   40   HD22  LEU   4          HD22      LEU   4  -5.484  -1.164  -0.424
   41   HD23  LEU   4          HD23      LEU   4  -4.950  -2.681   0.402
   42    H    SER   5           HN       SER   5  -2.465  -2.393  -3.814
   43    HA   SER   5           HA       SER   5  -0.465  -1.183  -4.613
   44    HB2  SER   5           HB2      SER   5   0.332  -3.166  -5.046
   45    HB3  SER   5           HB1      SER   5  -1.341  -3.680  -4.546
   46    HG   SER   5           HG       SER   5  -0.489  -3.149  -7.232
   47    H    LYS   6           HN       LYS   6  -3.126  -0.656  -6.550
   48    HA   LYS   6           HA       LYS   6  -1.443   0.230  -8.736
   49    HB2  LYS   6           HB2      LYS   6  -4.348   1.019  -8.028
   50    HB3  LYS   6           HB1      LYS   6  -3.488   1.378  -9.565
   51    HG2  LYS   6           HG2      LYS   6  -4.260  -1.434  -8.564
   52    HG3  LYS   6           HG1      LYS   6  -5.160  -0.482  -9.792
   53    HD2  LYS   6           HD2      LYS   6  -2.213  -1.345 -10.076
   54    HD3  LYS   6           HD1      LYS   6  -3.607  -2.260 -10.743
   55    HE2  LYS   6           HE2      LYS   6  -4.248  -0.222 -12.119
   56    HE3  LYS   6           HE1      LYS   6  -2.764   0.620 -11.501
   57    HZ1  LYS   6           HZ1      LYS   6  -3.046  -1.361 -13.535
   58    HZ2  LYS   6           HZ2      LYS   6  -1.888  -1.815 -12.379
   59    HZ3  LYS   6           HZ3      LYS   6  -1.748  -0.325 -13.180
   60    H    PHE   7           HN       PHE   7  -1.767   0.446  -5.489
   61    HA   PHE   7           HA       PHE   7  -2.139   3.206  -5.000
   62    HB2  PHE   7           HB2      PHE   7  -3.152   1.276  -3.936
   63    HB3  PHE   7           HB1      PHE   7  -1.642   0.836  -3.185
   64    HD1  PHE   7           HD1      PHE   7  -4.580   1.568  -2.438
   65    HD2  PHE   7           HD2      PHE   7  -0.792   3.382  -2.369
   66    HE1  PHE   7           HE1      PHE   7  -5.005   2.496  -0.274
   67    HE2  PHE   7           HE2      PHE   7  -1.051   4.338  -0.390
   68    HZ   PHE   7           HZ       PHE   7  -3.303   3.998   0.861
   69    H    PHE   8           HN       PHE   8  -0.185   0.609  -3.647
   70    HA   PHE   8           HA       PHE   8   1.220   2.681  -2.337
   71    HB2  PHE   8           HB2      PHE   8   2.628   0.557  -1.569
   72    HB3  PHE   8           HB1      PHE   8   1.084   0.921  -0.757
   73    HD1  PHE   8           HD1      PHE   8   3.071  -1.167  -2.233
   74    HD2  PHE   8           HD2      PHE   8  -0.889  -0.066  -1.686
   75    HE1  PHE   8           HE1      PHE   8   2.460  -3.283  -2.870
   76    HE2  PHE   8           HE2      PHE   8  -1.546  -2.240  -2.362
   77    HZ   PHE   8           HZ       PHE   8   0.129  -3.865  -2.911
   78    H    ARG   9           HN       ARG   9   1.136   0.139  -4.359
   79    HA   ARG   9           HA       ARG   9   3.810   0.076  -4.811
   80    HB2  ARG   9           HB2      ARG   9   1.310  -1.054  -5.795
   81    HB3  ARG   9           HB1      ARG   9   2.602  -0.934  -7.064
   82    HG2  ARG   9           HG2      ARG   9   3.171  -2.210  -4.353
   83    HG3  ARG   9           HG1      ARG   9   2.310  -3.155  -5.613
   84    HD2  ARG   9           HD2      ARG   9   4.986  -1.728  -6.162
   85    HD3  ARG   9           HD1      ARG   9   4.898  -3.427  -5.517
   86    HE   ARG   9           HE       ARG   9   3.172  -3.294  -7.786
   87   HH11  ARG   9          HH11      ARG   9   6.612  -2.914  -6.950
   88   HH12  ARG   9          HH12      ARG   9   7.205  -3.456  -8.484
   89   HH21  ARG   9          HH21      ARG   9   3.976  -4.033  -9.873
   90   HH22  ARG   9          HH22      ARG   9   5.679  -4.104 -10.175
   91    H    ASP  10           HN       ASP  10   1.459   2.145  -5.034
   92    HA   ASP  10           HA       ASP  10   2.668   3.203  -7.291
   93    HB2  ASP  10           HB2      ASP  10   0.493   2.215  -7.471
   94    HB3  ASP  10           HB1      ASP  10  -0.072   3.685  -6.598
   95    H    DPN  11           HN       DPN  11   2.304   3.678  -3.996
   96    HA   DPN  11           HA       DPN  11   2.018   6.533  -4.475
   97    HB2  DPN  11           HB1      DPN  11   4.527   6.266  -3.243
   98    HB3  DPN  11           HB2      DPN  11   4.185   6.981  -4.862
   99    HD1  DPN  11           HD1      DPN  11   4.525   5.538  -6.852
  100    HD2  DPN  11           HD2      DPN  11   4.935   4.447  -2.877
  101    HE1  DPN  11           HE1      DPN  11   4.921   3.184  -7.453
  102    HE2  DPN  11           HE2      DPN  11   5.314   2.267  -3.429
  103    HZ   DPN  11           HZ       DPN  11   5.217   1.703  -5.569
  104    H    ILE  12           HN       ILE  12   3.898   4.843  -2.046
  105    HA   ILE  12           HA       ILE  12   3.389   6.736  -0.115
  106    HB   ILE  12           HB       ILE  12   2.489   4.659   1.354
  107   HG12  ILE  12          HG12      ILE  12   0.656   3.616   0.069
  108   HG13  ILE  12          HG11      ILE  12   1.213   4.507  -1.408
  109   HG21  ILE  12          HG21      ILE  12   0.105   5.952   0.638
  110   HG22  ILE  12          HG22      ILE  12   1.347   7.178   0.184
  111   HG23  ILE  12          HG23      ILE  12   1.267   6.557   1.878
  112   HD11  ILE  12          HD11      ILE  12   2.855   3.136  -1.755
  113   HD12  ILE  12          HD12      ILE  12   2.219   2.130  -0.372
  114   HD13  ILE  12          HD13      ILE  12   3.416   3.337  -0.080
  115    H    LEU  13           HN       LEU  13   4.936   4.301  -1.717
  116    HA   LEU  13           HA       LEU  13   6.638   3.505   0.530
  117    HB2  LEU  13           HB2      LEU  13   6.666   2.442  -2.310
  118    HB3  LEU  13           HB1      LEU  13   7.195   1.596  -0.812
  119    HG   LEU  13           HG       LEU  13   4.426   2.420  -1.606
  120   HD11  LEU  13          HD11      LEU  13   6.062   0.114  -2.275
  121   HD12  LEU  13          HD12      LEU  13   4.445   0.610  -2.895
  122   HD13  LEU  13          HD13      LEU  13   4.573  -0.405  -1.392
  123   HD21  LEU  13          HD21      LEU  13   3.707   1.173   0.442
  124   HD22  LEU  13          HD22      LEU  13   4.787   2.591   0.814
  125   HD23  LEU  13          HD23      LEU  13   5.444   0.896   0.866
  126    H    GLN  14           HN       GLN  14   6.639   4.409  -2.943
  127    HA   GLN  14           HA       GLN  14   9.468   4.718  -3.000
  128    HB2  GLN  14           HB2      GLN  14   7.473   6.297  -4.698
  129    HB3  GLN  14           HB1      GLN  14   9.201   5.980  -5.094
  130    HG2  GLN  14           HG2      GLN  14   6.868   4.083  -5.022
  131    HG3  GLN  14           HG1      GLN  14   7.912   4.474  -6.430
  132   HE21  GLN  14          HE21      GLN  14   7.266   2.479  -3.814
  133   HE22  GLN  14          HE22      GLN  14   8.718   1.517  -3.785
  134    H    ARG  15           HN       ARG  15   6.797   6.383  -1.769
  135    HA   ARG  15           HA       ARG  15   8.442   8.788  -1.585
  136    HB2  ARG  15           HB2      ARG  15   5.661   8.820  -0.459
  137    HB3  ARG  15           HB1      ARG  15   6.521  10.095  -1.386
  138    HG2  ARG  15           HG2      ARG  15   5.742   9.347  -3.409
  139    HG3  ARG  15           HG1      ARG  15   5.839   7.612  -2.930
  140    HD2  ARG  15           HD2      ARG  15   3.461   8.269  -3.196
  141    HD3  ARG  15           HD1      ARG  15   3.824   7.914  -1.450
  142    HE   ARG  15           HE       ARG  15   3.549  10.242  -0.967
  143   HH11  ARG  15          HH11      ARG  15   3.569   9.626  -4.484
  144   HH12  ARG  15          HH12      ARG  15   3.015  11.209  -4.916
  145   HH21  ARG  15          HH21      ARG  15   2.795  12.388  -1.564
  146   HH22  ARG  15          HH22      ARG  15   2.569  12.804  -3.229
  147    H    LYS  16           HN       LYS  16   6.860   6.128  -0.023
  148    HA   LYS  16           HA       LYS  16   7.011   5.208   1.908
  149    HB2  LYS  16           HB2      LYS  16   8.823   7.516   2.702
  150    HB3  LYS  16           HB1      LYS  16   8.450   6.134   3.773
  151    HG2  LYS  16           HG2      LYS  16   9.854   5.933   1.042
  152    HG3  LYS  16           HG1      LYS  16  10.687   5.936   2.635
  153    HD2  LYS  16           HD2      LYS  16   9.356   3.879   3.284
  154    HD3  LYS  16           HD1      LYS  16   8.640   3.860   1.634
  155    HE2  LYS  16           HE2      LYS  16  10.932   3.569   0.639
  156    HE3  LYS  16           HE1      LYS  16  11.654   3.591   2.302
  157    HZ1  LYS  16           HZ1      LYS  16   9.626   1.742   2.390
  158    HZ2  LYS  16           HZ2      LYS  16  11.296   1.446   2.321
  159    HZ3  LYS  16           HZ3      LYS  16  10.380   1.480   0.891
  160    H    LYS  17           HN       LYS  17   5.371   7.780   1.113
  161    HA   LYS  17           HA       LYS  17   3.691   7.554   3.313
  162    HB2  LYS  17           HB2      LYS  17   3.837  10.125   3.930
  163    HB3  LYS  17           HB1      LYS  17   4.958   8.967   4.719
  164    HG2  LYS  17           HG2      LYS  17   6.509  10.542   4.102
  165    HG3  LYS  17           HG1      LYS  17   6.509   9.585   2.588
  166    HD2  LYS  17           HD2      LYS  17   4.522  11.287   1.918
  167    HD3  LYS  17           HD1      LYS  17   5.311  12.322   3.159
  168    HE2  LYS  17           HE2      LYS  17   7.499  12.125   1.935
  169    HE3  LYS  17           HE1      LYS  17   6.696  11.081   0.687
  170    HZ1  LYS  17           HZ1      LYS  17   6.904  13.770   0.627
  171    HZ2  LYS  17           HZ2      LYS  17   5.323  13.559   1.209
  172    HZ3  LYS  17           HZ3      LYS  17   5.791  12.841  -0.257
  Start of MODEL    5
    1    H1   GLU   1           HT1      GLU   1  -4.283 -10.256  -3.329
    2    H2   GLU   1           HT2      GLU   1  -4.022 -11.810  -2.697
    3    H3   GLU   1           HT3      GLU   1  -3.206 -11.317  -4.103
    4    HA   GLU   1           HA       GLU   1  -2.506 -10.975  -1.393
    5    HB2  GLU   1           HB2      GLU   1  -1.161 -10.408  -4.092
    6    HB3  GLU   1           HB1      GLU   1  -0.310 -10.186  -2.522
    7    HG2  GLU   1           HG2      GLU   1  -0.551 -12.588  -1.976
    8    HG3  GLU   1           HG1      GLU   1  -1.561 -12.858  -3.452
    9    H    MET   2           HN       MET   2  -2.733  -8.633  -4.181
   10    HA   MET   2           HA       MET   2  -3.508  -6.601  -2.355
   11    HB2  MET   2           HB2      MET   2  -1.757  -5.028  -2.635
   12    HB3  MET   2           HB1      MET   2  -1.004  -6.546  -2.073
   13    HG2  MET   2           HG2      MET   2  -0.670  -5.020  -4.560
   14    HG3  MET   2           HG1      MET   2   0.473  -6.075  -3.699
   15    HE1  MET   2           HE1      MET   2  -2.041  -5.275  -5.975
   16    HE2  MET   2           HE2      MET   2  -2.189  -6.547  -7.245
   17    HE3  MET   2           HE3      MET   2  -0.690  -5.558  -7.137
   18    H    ARG   3           HN       ARG   3  -4.068  -4.622  -3.397
   19    HA   ARG   3           HA       ARG   3  -4.595  -4.924  -6.239
   20    HB2  ARG   3           HB2      ARG   3  -6.502  -4.356  -3.979
   21    HB3  ARG   3           HB1      ARG   3  -6.913  -3.999  -5.696
   22    HG2  ARG   3           HG2      ARG   3  -7.945  -6.085  -5.506
   23    HG3  ARG   3           HG1      ARG   3  -6.299  -6.627  -5.997
   24    HD2  ARG   3           HD2      ARG   3  -6.585  -7.979  -4.095
   25    HD3  ARG   3           HD1      ARG   3  -5.890  -6.493  -3.295
   26    HE   ARG   3           HE       ARG   3  -8.759  -6.214  -3.483
   27   HH11  ARG   3          HH11      ARG   3  -6.209  -8.088  -1.849
   28   HH12  ARG   3          HH12      ARG   3  -7.120  -8.358  -0.401
   29   HH21  ARG   3          HH21      ARG   3 -10.001  -6.582  -1.515
   30   HH22  ARG   3          HH22      ARG   3  -9.314  -7.489  -0.210
   31    H    LEU   4           HN       LEU   4  -3.692  -3.368  -3.547
   32    HA   LEU   4           HA       LEU   4  -4.749  -0.860  -3.704
   33    HB2  LEU   4           HB2      LEU   4  -2.008  -0.938  -2.866
   34    HB3  LEU   4           HB1      LEU   4  -3.442  -0.599  -1.883
   35    HG   LEU   4           HG       LEU   4  -2.589  -3.350  -2.663
   36   HD11  LEU   4          HD11      LEU   4  -1.248  -1.548  -0.951
   37   HD12  LEU   4          HD12      LEU   4  -0.904  -3.290  -1.289
   38   HD13  LEU   4          HD13      LEU   4  -1.988  -2.833   0.097
   39   HD21  LEU   4          HD21      LEU   4  -4.723  -3.742  -1.982
   40   HD22  LEU   4          HD22      LEU   4  -4.810  -2.220  -1.003
   41   HD23  LEU   4          HD23      LEU   4  -3.975  -3.677  -0.334
   42    H    SER   5           HN       SER   5  -1.977  -2.463  -4.643
   43    HA   SER   5           HA       SER   5  -0.162  -0.966  -5.368
   44    HB2  SER   5           HB2      SER   5   0.750  -2.755  -6.211
   45    HB3  SER   5           HB1      SER   5  -0.833  -3.515  -5.721
   46    HG   SER   5           HG       SER   5  -0.235  -2.400  -8.297
   47    H    LYS   6           HN       LYS   6  -3.011  -0.349  -6.987
   48    HA   LYS   6           HA       LYS   6  -1.590   1.062  -9.082
   49    HB2  LYS   6           HB2      LYS   6  -4.479   1.440  -8.047
   50    HB3  LYS   6           HB1      LYS   6  -3.780   2.144  -9.547
   51    HG2  LYS   6           HG2      LYS   6  -4.229  -0.863  -9.036
   52    HG3  LYS   6           HG1      LYS   6  -5.313   0.203  -9.994
   53    HD2  LYS   6           HD2      LYS   6  -3.410   0.686 -11.572
   54    HD3  LYS   6           HD1      LYS   6  -2.361  -0.427 -10.627
   55    HE2  LYS   6           HE2      LYS   6  -3.913  -2.338 -11.151
   56    HE3  LYS   6           HE1      LYS   6  -4.961  -1.213 -12.112
   57    HZ1  LYS   6           HZ1      LYS   6  -3.030  -0.752 -13.506
   58    HZ2  LYS   6           HZ2      LYS   6  -3.463  -2.394 -13.519
   59    HZ3  LYS   6           HZ3      LYS   6  -2.109  -1.879 -12.633
   60    H    PHE   7           HN       PHE   7  -1.649   0.671  -5.838
   61    HA   PHE   7           HA       PHE   7  -2.205   3.253  -4.826
   62    HB2  PHE   7           HB2      PHE   7  -2.969   1.075  -4.073
   63    HB3  PHE   7           HB1      PHE   7  -1.372   0.659  -3.511
   64    HD1  PHE   7           HD1      PHE   7  -4.306   0.981  -2.468
   65    HD2  PHE   7           HD2      PHE   7  -0.666   3.071  -2.296
   66    HE1  PHE   7           HE1      PHE   7  -4.637   1.467  -0.148
   67    HE2  PHE   7           HE2      PHE   7  -0.845   3.640  -0.165
   68    HZ   PHE   7           HZ       PHE   7  -2.968   2.887   1.138
   69    H    PHE   8           HN       PHE   8   0.058   0.650  -4.114
   70    HA   PHE   8           HA       PHE   8   1.395   2.575  -2.534
   71    HB2  PHE   8           HB2      PHE   8   3.038   0.493  -2.282
   72    HB3  PHE   8           HB1      PHE   8   1.547   0.552  -1.308
   73    HD1  PHE   8           HD1      PHE   8   3.565  -1.049  -3.265
   74    HD2  PHE   8           HD2      PHE   8  -0.409  -0.421  -2.282
   75    HE1  PHE   8           HE1      PHE   8   3.069  -3.063  -4.244
   76    HE2  PHE   8           HE2      PHE   8  -0.954  -2.485  -3.304
   77    HZ   PHE   8           HZ       PHE   8   0.792  -3.833  -4.252
   78    H    ARG   9           HN       ARG   9   1.344   0.442  -4.984
   79    HA   ARG   9           HA       ARG   9   3.965   0.721  -5.629
   80    HB2  ARG   9           HB2      ARG   9   1.494  -0.449  -6.630
   81    HB3  ARG   9           HB1      ARG   9   2.646   0.036  -7.946
   82    HG2  ARG   9           HG2      ARG   9   3.465  -1.721  -5.580
   83    HG3  ARG   9           HG1      ARG   9   2.723  -2.427  -7.051
   84    HD2  ARG   9           HD2      ARG   9   5.279  -0.684  -7.026
   85    HD3  ARG   9           HD1      ARG   9   5.270  -2.500  -7.070
   86    HE   ARG   9           HE       ARG   9   4.560  -0.666  -9.293
   87   HH11  ARG   9          HH11      ARG   9   4.372  -3.943  -7.896
   88   HH12  ARG   9          HH12      ARG   9   4.077  -4.734  -9.407
   89   HH21  ARG   9          HH21      ARG   9   4.160  -1.746 -11.342
   90   HH22  ARG   9          HH22      ARG   9   3.955  -3.464 -11.398
   91    H    ASP  10           HN       ASP  10   1.444   2.564  -5.295
   92    HA   ASP  10           HA       ASP  10   2.367   4.123  -7.391
   93    HB2  ASP  10           HB2      ASP  10   0.273   2.978  -7.602
   94    HB3  ASP  10           HB1      ASP  10  -0.334   4.207  -6.434
   95    H    DPN  11           HN       DPN  11   2.246   3.959  -4.049
   96    HA   DPN  11           HA       DPN  11   1.688   6.815  -3.970
   97    HB2  DPN  11           HB1      DPN  11   4.305   6.571  -2.978
   98    HB3  DPN  11           HB2      DPN  11   3.771   7.529  -4.409
   99    HD1  DPN  11           HD1      DPN  11   4.058   6.507  -6.653
  100    HD2  DPN  11           HD2      DPN  11   4.889   4.762  -2.986
  101    HE1  DPN  11           HE1      DPN  11   4.593   4.347  -7.707
  102    HE2  DPN  11           HE2      DPN  11   5.397   2.764  -3.959
  103    HZ   DPN  11           HZ       DPN  11   5.167   2.586  -6.157
  104    H    ILE  12           HN       ILE  12   3.894   4.902  -2.028
  105    HA   ILE  12           HA       ILE  12   3.395   6.365   0.249
  106    HB   ILE  12           HB       ILE  12   2.798   3.979   1.363
  107   HG12  ILE  12          HG12      ILE  12   0.954   3.015   0.033
  108   HG13  ILE  12          HG11      ILE  12   1.310   4.206  -1.286
  109   HG21  ILE  12          HG21      ILE  12   0.264   5.145   1.066
  110   HG22  ILE  12          HG22      ILE  12   1.357   6.547   0.766
  111   HG23  ILE  12          HG23      ILE  12   1.473   5.625   2.315
  112   HD11  ILE  12          HD11      ILE  12   3.705   3.037  -0.347
  113   HD12  ILE  12          HD12      ILE  12   3.024   3.079  -1.990
  114   HD13  ILE  12          HD13      ILE  12   2.581   1.788  -0.785
  115    H    LEU  13           HN       LEU  13   4.998   4.415  -1.877
  116    HA   LEU  13           HA       LEU  13   6.944   3.400   0.062
  117    HB2  LEU  13           HB2      LEU  13   6.819   2.868  -2.920
  118    HB3  LEU  13           HB1      LEU  13   7.538   1.822  -1.643
  119    HG   LEU  13           HG       LEU  13   4.655   2.505  -2.085
  120   HD11  LEU  13          HD11      LEU  13   4.714   0.963  -3.682
  121   HD12  LEU  13          HD12      LEU  13   5.054  -0.286  -2.406
  122   HD13  LEU  13          HD13      LEU  13   6.414   0.526  -3.278
  123   HD21  LEU  13          HD21      LEU  13   5.993   0.670  -0.009
  124   HD22  LEU  13          HD22      LEU  13   4.212   0.852  -0.258
  125   HD23  LEU  13          HD23      LEU  13   5.202   2.277   0.297
  126    H    GLN  14           HN       GLN  14   6.577   4.904  -3.175
  127    HA   GLN  14           HA       GLN  14   9.357   5.490  -3.364
  128    HB2  GLN  14           HB2      GLN  14   7.101   7.145  -4.604
  129    HB3  GLN  14           HB1      GLN  14   8.811   7.073  -5.167
  130    HG2  GLN  14           HG2      GLN  14   6.658   4.975  -5.289
  131    HG3  GLN  14           HG1      GLN  14   7.545   5.710  -6.669
  132   HE21  GLN  14          HE21      GLN  14   7.287   3.229  -4.427
  133   HE22  GLN  14          HE22      GLN  14   8.811   2.422  -4.673
  134    H    ARG  15           HN       ARG  15   6.668   6.646  -1.670
  135    HA   ARG  15           HA       ARG  15   8.119   9.127  -1.158
  136    HB2  ARG  15           HB2      ARG  15   5.451   8.692   0.142
  137    HB3  ARG  15           HB1      ARG  15   6.121  10.186  -0.590
  138    HG2  ARG  15           HG2      ARG  15   5.235   9.738  -2.659
  139    HG3  ARG  15           HG1      ARG  15   5.516   7.964  -2.516
  140    HD2  ARG  15           HD2      ARG  15   3.079   8.424  -2.492
  141    HD3  ARG  15           HD1      ARG  15   3.618   7.801  -0.871
  142    HE   ARG  15           HE       ARG  15   3.194   9.967   0.054
  143   HH11  ARG  15          HH11      ARG  15   2.957   9.991  -3.510
  144   HH12  ARG  15          HH12      ARG  15   2.240  11.564  -3.603
  145   HH21  ARG  15          HH21      ARG  15   2.217  12.102  -0.082
  146   HH22  ARG  15          HH22      ARG  15   1.813  12.783  -1.622
  147    H    LYS  16           HN       LYS  16   6.903   6.091  -0.011
  148    HA   LYS  16           HA       LYS  16   7.292   4.861   1.701
  149    HB2  LYS  16           HB2      LYS  16   8.965   7.158   2.786
  150    HB3  LYS  16           HB1      LYS  16   8.803   5.575   3.603
  151    HG2  LYS  16           HG2      LYS  16   9.980   6.006   0.791
  152    HG3  LYS  16           HG1      LYS  16  10.944   5.810   2.297
  153    HD2  LYS  16           HD2      LYS  16   9.856   3.546   2.644
  154    HD3  LYS  16           HD1      LYS  16   9.004   3.749   1.073
  155    HE2  LYS  16           HE2      LYS  16  11.216   3.872  -0.117
  156    HE3  LYS  16           HE1      LYS  16  12.077   3.672   1.466
  157    HZ1  LYS  16           HZ1      LYS  16  10.878   1.727  -0.217
  158    HZ2  LYS  16           HZ2      LYS  16  10.227   1.642   1.350
  159    HZ3  LYS  16           HZ3      LYS  16  11.906   1.531   1.119
  160    H    LYS  17           HN       LYS  17   5.382   7.362   1.510
  161    HA   LYS  17           HA       LYS  17   3.921   6.585   3.740
  162    HB2  LYS  17           HB2      LYS  17   3.904   9.005   4.813
  163    HB3  LYS  17           HB1      LYS  17   5.184   7.844   5.291
  164    HG2  LYS  17           HG2      LYS  17   6.536   9.649   4.870
  165    HG3  LYS  17           HG1      LYS  17   6.483   8.983   3.208
  166    HD2  LYS  17           HD2      LYS  17   4.307  10.572   3.013
  167    HD3  LYS  17           HD1      LYS  17   5.115  11.442   4.363
  168    HE2  LYS  17           HE2      LYS  17   7.191  11.687   2.968
  169    HE3  LYS  17           HE1      LYS  17   6.374  10.802   1.611
  170    HZ1  LYS  17           HZ1      LYS  17   5.205  12.585   1.086
  171    HZ2  LYS  17           HZ2      LYS  17   6.349  13.457   1.990
  172    HZ3  LYS  17           HZ3      LYS  17   4.868  13.017   2.693
  Start of MODEL    6
    1    H1   GLU   1           HT1      GLU   1  -0.957  -9.031  -6.620
    2    H2   GLU   1           HT2      GLU   1  -2.563  -9.080  -6.063
    3    H3   GLU   1           HT3      GLU   1  -1.743 -10.524  -6.424
    4    HA   GLU   1           HA       GLU   1  -1.335 -10.637  -4.280
    5    HB2  GLU   1           HB2      GLU   1   0.892  -9.994  -5.291
    6    HB3  GLU   1           HB1      GLU   1   0.519  -8.271  -4.932
    7    HG2  GLU   1           HG2      GLU   1   0.474  -8.764  -2.474
    8    HG3  GLU   1           HG1      GLU   1   0.798 -10.511  -2.811
    9    H    MET   2           HN       MET   2  -1.860  -7.190  -5.224
   10    HA   MET   2           HA       MET   2  -3.357  -6.909  -2.744
   11    HB2  MET   2           HB2      MET   2  -0.979  -5.305  -3.571
   12    HB3  MET   2           HB1      MET   2  -2.403  -4.339  -3.056
   13    HG2  MET   2           HG2      MET   2  -0.542  -6.080  -1.458
   14    HG3  MET   2           HG1      MET   2  -1.336  -4.527  -1.055
   15    HE1  MET   2           HE1      MET   2  -4.559  -4.862  -0.004
   16    HE2  MET   2           HE2      MET   2  -4.919  -5.888  -1.437
   17    HE3  MET   2           HE3      MET   2  -3.770  -4.519  -1.581
   18    H    ARG   3           HN       ARG   3  -4.367  -4.486  -2.944
   19    HA   ARG   3           HA       ARG   3  -5.697  -4.566  -5.463
   20    HB2  ARG   3           HB2      ARG   3  -6.861  -5.383  -3.250
   21    HB3  ARG   3           HB1      ARG   3  -6.801  -3.621  -2.848
   22    HG2  ARG   3           HG2      ARG   3  -7.962  -4.413  -5.532
   23    HG3  ARG   3           HG1      ARG   3  -8.945  -4.752  -4.060
   24    HD2  ARG   3           HD2      ARG   3  -7.704  -2.069  -3.918
   25    HD3  ARG   3           HD1      ARG   3  -8.737  -2.249  -5.411
   26    HE   ARG   3           HE       ARG   3 -10.183  -3.339  -3.175
   27   HH11  ARG   3          HH11      ARG   3  -8.904  -0.263  -4.432
   28   HH12  ARG   3          HH12      ARG   3 -10.127   0.724  -3.702
   29   HH21  ARG   3          HH21      ARG   3 -11.848  -2.000  -2.180
   30   HH22  ARG   3          HH22      ARG   3 -11.830  -0.282  -2.399
   31    H    LEU   4           HN       LEU   4  -4.227  -3.013  -2.878
   32    HA   LEU   4           HA       LEU   4  -5.121  -0.439  -3.419
   33    HB2  LEU   4           HB2      LEU   4  -2.468  -0.601  -2.347
   34    HB3  LEU   4           HB1      LEU   4  -3.917   0.069  -1.586
   35    HG   LEU   4           HG       LEU   4  -3.313  -2.833  -1.743
   36   HD11  LEU   4          HD11      LEU   4  -2.898  -1.823   0.915
   37   HD12  LEU   4          HD12      LEU   4  -1.966  -0.813  -0.275
   38   HD13  LEU   4          HD13      LEU   4  -1.733  -2.602  -0.236
   39   HD21  LEU   4          HD21      LEU   4  -4.946  -2.676   0.382
   40   HD22  LEU   4          HD22      LEU   4  -5.588  -2.761  -1.311
   41   HD23  LEU   4          HD23      LEU   4  -5.486  -1.168  -0.455
   42    H    SER   5           HN       SER   5  -2.449  -2.391  -3.828
   43    HA   SER   5           HA       SER   5  -0.451  -1.176  -4.621
   44    HB2  SER   5           HB2      SER   5   0.355  -3.157  -5.058
   45    HB3  SER   5           HB1      SER   5  -1.315  -3.674  -4.552
   46    HG   SER   5           HG       SER   5  -0.454  -3.157  -7.239
   47    H    LYS   6           HN       LYS   6  -3.114  -0.672  -6.581
   48    HA   LYS   6           HA       LYS   6  -1.432   0.226  -8.758
   49    HB2  LYS   6           HB2      LYS   6  -4.352   0.913  -8.006
   50    HB3  LYS   6           HB1      LYS   6  -3.511   1.421  -9.513
   51    HG2  LYS   6           HG2      LYS   6  -3.413  -0.862 -10.341
   52    HG3  LYS   6           HG1      LYS   6  -3.955  -1.529  -8.761
   53    HD2  LYS   6           HD2      LYS   6  -5.843  -1.584 -10.282
   54    HD3  LYS   6           HD1      LYS   6  -6.152  -0.310  -9.053
   55    HE2  LYS   6           HE2      LYS   6  -5.490   1.464 -10.681
   56    HE3  LYS   6           HE1      LYS   6  -5.084   0.200 -11.916
   57    HZ1  LYS   6           HZ1      LYS   6  -7.182   0.096 -12.474
   58    HZ2  LYS   6           HZ2      LYS   6  -7.523   1.393 -11.431
   59    HZ3  LYS   6           HZ3      LYS   6  -7.687  -0.206 -10.882
   60    H    PHE   7           HN       PHE   7  -1.755   0.447  -5.505
   61    HA   PHE   7           HA       PHE   7  -2.139   3.205  -5.022
   62    HB2  PHE   7           HB2      PHE   7  -3.147   1.274  -3.957
   63    HB3  PHE   7           HB1      PHE   7  -1.638   0.839  -3.201
   64    HD1  PHE   7           HD1      PHE   7  -4.582   1.565  -2.465
   65    HD2  PHE   7           HD2      PHE   7  -0.799   3.388  -2.385
   66    HE1  PHE   7           HE1      PHE   7  -5.016   2.494  -0.304
   67    HE2  PHE   7           HE2      PHE   7  -1.066   4.346  -0.408
   68    HZ   PHE   7           HZ       PHE   7  -3.321   4.001   0.835
   69    H    PHE   8           HN       PHE   8  -0.179   0.618  -3.660
   70    HA   PHE   8           HA       PHE   8   1.215   2.698  -2.347
   71    HB2  PHE   8           HB2      PHE   8   2.628   0.575  -1.574
   72    HB3  PHE   8           HB1      PHE   8   1.080   0.937  -0.767
   73    HD1  PHE   8           HD1      PHE   8   3.077  -1.146  -2.242
   74    HD2  PHE   8           HD2      PHE   8  -0.887  -0.057  -1.698
   75    HE1  PHE   8           HE1      PHE   8   2.473  -3.265  -2.877
   76    HE2  PHE   8           HE2      PHE   8  -1.538  -2.233  -2.373
   77    HZ   PHE   8           HZ       PHE   8   0.143  -3.854  -2.918
   78    H    ARG   9           HN       ARG   9   1.147   0.152  -4.367
   79    HA   ARG   9           HA       ARG   9   3.822   0.099  -4.811
   80    HB2  ARG   9           HB2      ARG   9   1.330  -1.043  -5.799
   81    HB3  ARG   9           HB1      ARG   9   2.624  -0.918  -7.067
   82    HG2  ARG   9           HG2      ARG   9   3.192  -2.191  -4.354
   83    HG3  ARG   9           HG1      ARG   9   2.342  -3.139  -5.619
   84    HD2  ARG   9           HD2      ARG   9   5.012  -1.695  -6.152
   85    HD3  ARG   9           HD1      ARG   9   4.930  -3.397  -5.513
   86    HE   ARG   9           HE       ARG   9   3.212  -3.277  -7.786
   87   HH11  ARG   9          HH11      ARG   9   6.647  -2.843  -6.947
   88   HH12  ARG   9          HH12      ARG   9   7.248  -3.371  -8.484
   89   HH21  ARG   9          HH21      ARG   9   4.030  -3.995  -9.875
   90   HH22  ARG   9          HH22      ARG   9   5.733  -4.037 -10.176
   91    H    ASP  10           HN       ASP  10   1.462   2.156  -5.045
   92    HA   ASP  10           HA       ASP  10   2.673   3.219  -7.298
   93    HB2  ASP  10           HB2      ASP  10   0.504   2.218  -7.486
   94    HB3  ASP  10           HB1      ASP  10  -0.072   3.685  -6.616
   95    H    DPN  11           HN       DPN  11   2.299   3.692  -4.005
   96    HA   DPN  11           HA       DPN  11   1.990   6.543  -4.480
   97    HB2  DPN  11           HB1      DPN  11   4.499   6.312  -3.261
   98    HB3  DPN  11           HB2      DPN  11   4.147   7.009  -4.884
   99    HD1  DPN  11           HD1      DPN  11   4.511   5.561  -6.862
  100    HD2  DPN  11           HD2      DPN  11   4.924   4.493  -2.878
  101    HE1  DPN  11           HE1      DPN  11   4.923   3.207  -7.451
  102    HE2  DPN  11           HE2      DPN  11   5.315   2.311  -3.421
  103    HZ   DPN  11           HZ       DPN  11   5.225   1.734  -5.561
  104    H    ILE  12           HN       ILE  12   3.889   4.868  -2.049
  105    HA   ILE  12           HA       ILE  12   3.373   6.755  -0.119
  106    HB   ILE  12           HB       ILE  12   2.472   4.680   1.351
  107   HG12  ILE  12          HG12      ILE  12   0.644   3.631   0.065
  108   HG13  ILE  12          HG11      ILE  12   1.197   4.523  -1.412
  109   HG21  ILE  12          HG21      ILE  12   0.090   5.980   0.603
  110   HG22  ILE  12          HG22      ILE  12   1.347   7.206   0.191
  111   HG23  ILE  12          HG23      ILE  12   1.230   6.562   1.874
  112   HD11  ILE  12          HD11      ILE  12   2.846   3.158  -1.759
  113   HD12  ILE  12          HD12      ILE  12   2.208   2.149  -0.379
  114   HD13  ILE  12          HD13      ILE  12   3.403   3.358  -0.082
  115    H    LEU  13           HN       LEU  13   4.926   4.318  -1.716
  116    HA   LEU  13           HA       LEU  13   6.612   3.519   0.542
  117    HB2  LEU  13           HB2      LEU  13   6.660   2.474  -2.303
  118    HB3  LEU  13           HB1      LEU  13   7.185   1.620  -0.807
  119    HG   LEU  13           HG       LEU  13   4.418   2.441  -1.611
  120   HD11  LEU  13          HD11      LEU  13   4.456   0.639  -2.906
  121   HD12  LEU  13          HD12      LEU  13   4.569  -0.382  -1.406
  122   HD13  LEU  13          HD13      LEU  13   6.066   0.139  -2.273
  123   HD21  LEU  13          HD21      LEU  13   4.770   2.609   0.811
  124   HD22  LEU  13          HD22      LEU  13   5.428   0.912   0.862
  125   HD23  LEU  13          HD23      LEU  13   3.695   1.192   0.434
  126    H    GLN  14           HN       GLN  14   6.632   4.446  -2.918
  127    HA   GLN  14           HA       GLN  14   9.463   4.760  -2.964
  128    HB2  GLN  14           HB2      GLN  14   7.465   6.327  -4.672
  129    HB3  GLN  14           HB1      GLN  14   9.196   6.025  -5.060
  130    HG2  GLN  14           HG2      GLN  14   6.871   4.116  -5.016
  131    HG3  GLN  14           HG1      GLN  14   7.937   4.512  -6.408
  132   HE21  GLN  14          HE21      GLN  14   7.254   2.514  -3.805
  133   HE22  GLN  14          HE22      GLN  14   8.707   1.553  -3.756
  134    H    ARG  15           HN       ARG  15   6.756   6.431  -1.788
  135    HA   ARG  15           HA       ARG  15   8.390   8.844  -1.592
  136    HB2  ARG  15           HB2      ARG  15   5.612   8.856  -0.459
  137    HB3  ARG  15           HB1      ARG  15   6.460  10.138  -1.384
  138    HG2  ARG  15           HG2      ARG  15   5.677   9.392  -3.404
  139    HG3  ARG  15           HG1      ARG  15   5.797   7.656  -2.933
  140    HD2  ARG  15           HD2      ARG  15   3.408   8.306  -3.192
  141    HD3  ARG  15           HD1      ARG  15   3.787   7.913  -1.456
  142    HE   ARG  15           HE       ARG  15   3.487  10.223  -0.913
  143   HH11  ARG  15          HH11      ARG  15   3.511   9.702  -4.446
  144   HH12  ARG  15          HH12      ARG  15   2.946  11.292  -4.836
  145   HH21  ARG  15          HH21      ARG  15   2.719  12.378  -1.453
  146   HH22  ARG  15          HH22      ARG  15   2.490  12.838  -3.106
  147    H    LYS  16           HN       LYS  16   6.915   6.139  -0.070
  148    HA   LYS  16           HA       LYS  16   7.080   5.194   1.845
  149    HB2  LYS  16           HB2      LYS  16   9.097   7.390   2.299
  150    HB3  LYS  16           HB1      LYS  16   8.515   6.481   3.726
  151    HG2  LYS  16           HG2      LYS  16  10.172   4.997   3.253
  152    HG3  LYS  16           HG1      LYS  16   9.089   4.429   1.933
  153    HD2  LYS  16           HD2      LYS  16  11.126   4.808   0.808
  154    HD3  LYS  16           HD1      LYS  16  10.197   6.313   0.481
  155    HE2  LYS  16           HE2      LYS  16  11.450   7.515   2.271
  156    HE3  LYS  16           HE1      LYS  16  12.334   5.990   2.702
  157    HZ1  LYS  16           HZ1      LYS  16  13.287   7.774   1.050
  158    HZ2  LYS  16           HZ2      LYS  16  12.401   6.874  -0.086
  159    HZ3  LYS  16           HZ3      LYS  16  13.587   6.113   0.862
  160    H    LYS  17           HN       LYS  17   5.401   7.774   1.146
  161    HA   LYS  17           HA       LYS  17   3.775   7.468   3.383
  162    HB2  LYS  17           HB2      LYS  17   3.871  10.027   4.037
  163    HB3  LYS  17           HB1      LYS  17   5.057   8.897   4.766
  164    HG2  LYS  17           HG2      LYS  17   6.522  10.544   4.119
  165    HG3  LYS  17           HG1      LYS  17   6.516   9.587   2.604
  166    HD2  LYS  17           HD2      LYS  17   4.458  11.206   1.977
  167    HD3  LYS  17           HD1      LYS  17   5.213  12.271   3.214
  168    HE2  LYS  17           HE2      LYS  17   7.394  12.178   1.958
  169    HE3  LYS  17           HE1      LYS  17   6.615  11.116   0.710
  170    HZ1  LYS  17           HZ1      LYS  17   6.693  13.830   0.722
  171    HZ2  LYS  17           HZ2      LYS  17   5.116  13.497   1.257
  172    HZ3  LYS  17           HZ3      LYS  17   5.667  12.854  -0.214
  Start of MODEL    7
    1    H1   GLU   1           HT1      GLU   1  -0.953  -9.074  -6.767
    2    H2   GLU   1           HT2      GLU   1  -2.549  -9.135  -6.187
    3    H3   GLU   1           HT3      GLU   1  -1.723 -10.573  -6.556
    4    HA   GLU   1           HA       GLU   1  -1.271 -10.679  -4.422
    5    HB2  GLU   1           HB2      GLU   1   0.552  -8.370  -5.295
    6    HB3  GLU   1           HB1      GLU   1   0.708  -9.177  -3.693
    7    HG2  GLU   1           HG2      GLU   1   1.209 -11.353  -4.770
    8    HG3  GLU   1           HG1      GLU   1   0.917 -10.645  -6.408
    9    H    MET   2           HN       MET   2  -1.851  -7.231  -5.339
   10    HA   MET   2           HA       MET   2  -3.340  -6.994  -2.852
   11    HB2  MET   2           HB2      MET   2  -0.975  -5.360  -3.657
   12    HB3  MET   2           HB1      MET   2  -2.406  -4.412  -3.127
   13    HG2  MET   2           HG2      MET   2  -0.531  -6.163  -1.557
   14    HG3  MET   2           HG1      MET   2  -1.335  -4.621  -1.130
   15    HE1  MET   2           HE1      MET   2  -3.770  -4.624  -1.653
   16    HE2  MET   2           HE2      MET   2  -4.553  -4.994  -0.080
   17    HE3  MET   2           HE3      MET   2  -4.910  -6.005  -1.527
   18    H    ARG   3           HN       ARG   3  -4.367  -4.575  -3.014
   19    HA   ARG   3           HA       ARG   3  -5.702  -4.628  -5.534
   20    HB2  ARG   3           HB2      ARG   3  -6.856  -5.488  -3.332
   21    HB3  ARG   3           HB1      ARG   3  -6.807  -3.733  -2.901
   22    HG2  ARG   3           HG2      ARG   3  -7.967  -4.481  -5.596
   23    HG3  ARG   3           HG1      ARG   3  -8.945  -4.861  -4.131
   24    HD2  ARG   3           HD2      ARG   3  -7.721  -2.168  -3.945
   25    HD3  ARG   3           HD1      ARG   3  -8.772  -2.331  -5.427
   26    HE   ARG   3           HE       ARG   3 -10.185  -3.476  -3.202
   27   HH11  ARG   3          HH11      ARG   3  -8.925  -0.361  -4.381
   28   HH12  ARG   3          HH12      ARG   3 -10.139   0.602  -3.604
   29   HH21  ARG   3          HH21      ARG   3 -11.838  -2.169  -2.145
   30   HH22  ARG   3          HH22      ARG   3 -11.823  -0.446  -2.311
   31    H    LEU   4           HN       LEU   4  -4.240  -3.103  -2.927
   32    HA   LEU   4           HA       LEU   4  -5.156  -0.528  -3.430
   33    HB2  LEU   4           HB2      LEU   4  -2.502  -0.684  -2.360
   34    HB3  LEU   4           HB1      LEU   4  -3.956  -0.038  -1.590
   35    HG   LEU   4           HG       LEU   4  -3.328  -2.932  -1.790
   36   HD11  LEU   4          HD11      LEU   4  -1.994  -0.924  -0.292
   37   HD12  LEU   4          HD12      LEU   4  -1.750  -2.712  -0.279
   38   HD13  LEU   4          HD13      LEU   4  -2.921  -1.951   0.884
   39   HD21  LEU   4          HD21      LEU   4  -4.960  -2.820   0.338
   40   HD22  LEU   4          HD22      LEU   4  -5.602  -2.887  -1.356
   41   HD23  LEU   4          HD23      LEU   4  -5.514  -1.305  -0.477
   42    H    SER   5           HN       SER   5  -2.468  -2.453  -3.869
   43    HA   SER   5           HA       SER   5  -0.479  -1.208  -4.643
   44    HB2  SER   5           HB2      SER   5   0.342  -3.178  -5.108
   45    HB3  SER   5           HB1      SER   5  -1.324  -3.716  -4.613
   46    HG   SER   5           HG       SER   5  -0.464  -3.149  -7.290
   47    H    LYS   6           HN       LYS   6  -3.152  -0.703  -6.605
   48    HA   LYS   6           HA       LYS   6  -1.480   0.245  -8.764
   49    HB2  LYS   6           HB2      LYS   6  -4.401   0.879  -7.974
   50    HB3  LYS   6           HB1      LYS   6  -3.583   1.432  -9.477
   51    HG2  LYS   6           HG2      LYS   6  -3.369  -0.911 -10.263
   52    HG3  LYS   6           HG1      LYS   6  -4.105  -1.514  -8.737
   53    HD2  LYS   6           HD2      LYS   6  -6.203  -0.285  -9.257
   54    HD3  LYS   6           HD1      LYS   6  -5.480   0.332 -10.782
   55    HE2  LYS   6           HE2      LYS   6  -5.263  -2.024 -11.637
   56    HE3  LYS   6           HE1      LYS   6  -5.989  -2.644 -10.095
   57    HZ1  LYS   6           HZ1      LYS   6  -8.012  -1.919 -10.674
   58    HZ2  LYS   6           HZ2      LYS   6  -7.394  -2.125 -12.242
   59    HZ3  LYS   6           HZ3      LYS   6  -7.454  -0.576 -11.549
   60    H    PHE   7           HN       PHE   7  -1.796   0.415  -5.505
   61    HA   PHE   7           HA       PHE   7  -2.199   3.163  -4.979
   62    HB2  PHE   7           HB2      PHE   7  -3.194   1.209  -3.944
   63    HB3  PHE   7           HB1      PHE   7  -1.680   0.773  -3.197
   64    HD1  PHE   7           HD1      PHE   7  -4.629   1.468  -2.445
   65    HD2  PHE   7           HD2      PHE   7  -0.857   3.314  -2.341
   66    HE1  PHE   7           HE1      PHE   7  -5.066   2.357  -0.269
   67    HE2  PHE   7           HE2      PHE   7  -1.128   4.235  -0.347
   68    HZ   PHE   7           HZ       PHE   7  -3.378   3.855   0.893
   69    H    PHE   8           HN       PHE   8  -0.220   0.569  -3.657
   70    HA   PHE   8           HA       PHE   8   1.164   2.641  -2.319
   71    HB2  PHE   8           HB2      PHE   8   2.585   0.519  -1.568
   72    HB3  PHE   8           HB1      PHE   8   1.037   0.865  -0.757
   73    HD1  PHE   8           HD1      PHE   8   3.047  -1.190  -2.252
   74    HD2  PHE   8           HD2      PHE   8  -0.926  -0.136  -1.705
   75    HE1  PHE   8           HE1      PHE   8   2.461  -3.302  -2.917
   76    HE2  PHE   8           HE2      PHE   8  -1.559  -2.309  -2.412
   77    HZ   PHE   8           HZ       PHE   8   0.137  -3.908  -2.975
   78    H    ARG   9           HN       ARG   9   1.112   0.112  -4.363
   79    HA   ARG   9           HA       ARG   9   3.786   0.089  -4.810
   80    HB2  ARG   9           HB2      ARG   9   1.303  -1.059  -5.816
   81    HB3  ARG   9           HB1      ARG   9   2.595  -0.906  -7.081
   82    HG2  ARG   9           HG2      ARG   9   3.163  -2.215  -4.385
   83    HG3  ARG   9           HG1      ARG   9   2.336  -3.150  -5.674
   84    HD2  ARG   9           HD2      ARG   9   5.000  -1.670  -6.144
   85    HD3  ARG   9           HD1      ARG   9   4.920  -3.391  -5.557
   86    HE   ARG   9           HE       ARG   9   3.230  -3.216  -7.845
   87   HH11  ARG   9          HH11      ARG   9   6.651  -2.773  -6.957
   88   HH12  ARG   9          HH12      ARG   9   7.274  -3.245  -8.503
   89   HH21  ARG   9          HH21      ARG   9   4.076  -3.858  -9.948
   90   HH22  ARG   9          HH22      ARG   9   5.784  -3.872 -10.232
   91    H    ASP  10           HN       ASP  10   1.416   2.136  -5.016
   92    HA   ASP  10           HA       ASP  10   2.609   3.233  -7.260
   93    HB2  ASP  10           HB2      ASP  10   0.415   2.201  -7.367
   94    HB3  ASP  10           HB1      ASP  10  -0.129   3.733  -6.589
   95    H    DPN  11           HN       DPN  11   2.240   3.669  -3.959
   96    HA   DPN  11           HA       DPN  11   1.920   6.528  -4.409
   97    HB2  DPN  11           HB1      DPN  11   4.428   6.276  -3.166
   98    HB3  DPN  11           HB2      DPN  11   4.085   7.008  -4.777
   99    HD1  DPN  11           HD1      DPN  11   4.439   5.586  -6.784
  100    HD2  DPN  11           HD2      DPN  11   4.864   4.457  -2.818
  101    HE1  DPN  11           HE1      DPN  11   4.856   3.243  -7.410
  102    HE2  DPN  11           HE2      DPN  11   5.265   2.283  -3.394
  103    HZ   DPN  11           HZ       DPN  11   5.172   1.740  -5.547
  104    H    ILE  12           HN       ILE  12   3.823   4.849  -2.007
  105    HA   ILE  12           HA       ILE  12   3.243   6.695  -0.044
  106    HB   ILE  12           HB       ILE  12   2.393   4.574   1.393
  107   HG12  ILE  12          HG12      ILE  12   0.597   3.501   0.084
  108   HG13  ILE  12          HG11      ILE  12   1.141   4.425  -1.379
  109   HG21  ILE  12          HG21      ILE  12   0.873   6.207   1.939
  110   HG22  ILE  12          HG22      ILE  12   0.024   5.918   0.374
  111   HG23  ILE  12          HG23      ILE  12   1.346   7.136   0.466
  112   HD11  ILE  12          HD11      ILE  12   3.365   3.313  -0.056
  113   HD12  ILE  12          HD12      ILE  12   2.803   3.090  -1.728
  114   HD13  ILE  12          HD13      ILE  12   2.195   2.062  -0.356
  115    H    LEU  13           HN       LEU  13   4.835   4.257  -1.655
  116    HA   LEU  13           HA       LEU  13   6.572   3.495   0.573
  117    HB2  LEU  13           HB2      LEU  13   6.607   2.438  -2.267
  118    HB3  LEU  13           HB1      LEU  13   7.142   1.595  -0.767
  119    HG   LEU  13           HG       LEU  13   4.375   2.404  -1.563
  120   HD11  LEU  13          HD11      LEU  13   4.425   0.614  -2.873
  121   HD12  LEU  13          HD12      LEU  13   4.505  -0.410  -1.371
  122   HD13  LEU  13          HD13      LEU  13   6.021   0.092  -2.217
  123   HD21  LEU  13          HD21      LEU  13   5.404   0.887   0.912
  124   HD22  LEU  13          HD22      LEU  13   3.666   1.145   0.492
  125   HD23  LEU  13          HD23      LEU  13   4.734   2.577   0.864
  126    H    GLN  14           HN       GLN  14   6.575   4.404  -2.907
  127    HA   GLN  14           HA       GLN  14   9.408   4.660  -2.967
  128    HB2  GLN  14           HB2      GLN  14   7.453   6.307  -4.648
  129    HB3  GLN  14           HB1      GLN  14   9.173   5.952  -5.046
  130    HG2  GLN  14           HG2      GLN  14   6.801   4.105  -4.982
  131    HG3  GLN  14           HG1      GLN  14   7.837   4.495  -6.397
  132   HE21  GLN  14          HE21      GLN  14   7.188   2.479  -3.791
  133   HE22  GLN  14          HE22      GLN  14   8.624   1.492  -3.793
  134    H    ARG  15           HN       ARG  15   6.794   6.346  -1.695
  135    HA   ARG  15           HA       ARG  15   8.452   8.738  -1.513
  136    HB2  ARG  15           HB2      ARG  15   5.699   8.747  -0.283
  137    HB3  ARG  15           HB1      ARG  15   6.531  10.038  -1.218
  138    HG2  ARG  15           HG2      ARG  15   5.695   9.311  -3.230
  139    HG3  ARG  15           HG1      ARG  15   5.781   7.572  -2.763
  140    HD2  ARG  15           HD2      ARG  15   3.398   8.390  -2.986
  141    HD3  ARG  15           HD1      ARG  15   3.803   7.803  -1.315
  142    HE   ARG  15           HE       ARG  15   3.573  10.031  -0.516
  143   HH11  ARG  15          HH11      ARG  15   3.664   9.946  -4.085
  144   HH12  ARG  15          HH12      ARG  15   3.211  11.604  -4.287
  145   HH21  ARG  15          HH21      ARG  15   2.957  12.282  -0.801
  146   HH22  ARG  15          HH22      ARG  15   2.803  12.954  -2.390
  147    H    LYS  16           HN       LYS  16   6.876   6.060   0.122
  148    HA   LYS  16           HA       LYS  16   6.835   5.290   2.162
  149    HB2  LYS  16           HB2      LYS  16   9.104   7.257   2.690
  150    HB3  LYS  16           HB1      LYS  16   8.572   6.008   3.851
  151    HG2  LYS  16           HG2      LYS  16   9.795   5.487   1.076
  152    HG3  LYS  16           HG1      LYS  16  10.665   5.369   2.641
  153    HD2  LYS  16           HD2      LYS  16   9.021   3.586   3.376
  154    HD3  LYS  16           HD1      LYS  16   8.262   3.660   1.748
  155    HE2  LYS  16           HE2      LYS  16  10.436   2.963   0.696
  156    HE3  LYS  16           HE1      LYS  16  11.203   2.890   2.337
  157    HZ1  LYS  16           HZ1      LYS  16   8.817   1.430   2.392
  158    HZ2  LYS  16           HZ2      LYS  16  10.415   0.879   2.545
  159    HZ3  LYS  16           HZ3      LYS  16   9.686   0.953   1.014
  160    H    LYS  17           HN       LYS  17   5.455   7.641   1.194
  161    HA   LYS  17           HA       LYS  17   4.225   9.326   1.793
  162    HB2  LYS  17           HB2      LYS  17   3.917   7.371   3.966
  163    HB3  LYS  17           HB1      LYS  17   3.716   9.046   4.593
  164    HG2  LYS  17           HG2      LYS  17   2.204   7.730   2.280
  165    HG3  LYS  17           HG1      LYS  17   1.537   8.211   3.879
  166    HD2  LYS  17           HD2      LYS  17   1.045  10.267   3.050
  167    HD3  LYS  17           HD1      LYS  17   2.788  10.549   2.716
  168    HE2  LYS  17           HE2      LYS  17   1.829  10.835   0.575
  169    HE3  LYS  17           HE1      LYS  17   2.327   9.090   0.522
  170    HZ1  LYS  17           HZ1      LYS  17   0.208   8.910  -0.134
  171    HZ2  LYS  17           HZ2      LYS  17  -0.329  10.301   0.679
  172    HZ3  LYS  17           HZ3      LYS  17  -0.093   8.856   1.537
  Start of MODEL    8
    1    H1   GLU   1           HT1      GLU   1  -0.339 -11.474  -4.281
    2    H2   GLU   1           HT2      GLU   1  -0.584 -10.513  -2.900
    3    H3   GLU   1           HT3      GLU   1   0.739 -10.209  -3.924
    4    HA   GLU   1           HA       GLU   1  -0.430  -9.027  -5.336
    5    HB2  GLU   1           HB2      GLU   1  -2.708  -9.649  -6.142
    6    HB3  GLU   1           HB1      GLU   1  -1.586 -11.054  -6.203
    7    HG2  GLU   1           HG2      GLU   1  -2.532 -11.886  -4.002
    8    HG3  GLU   1           HG1      GLU   1  -3.706 -10.511  -4.012
    9    H    MET   2           HN       MET   2  -1.909  -7.168  -5.261
   10    HA   MET   2           HA       MET   2  -3.362  -6.922  -2.759
   11    HB2  MET   2           HB2      MET   2  -0.993  -5.297  -3.562
   12    HB3  MET   2           HB1      MET   2  -2.420  -4.338  -3.045
   13    HG2  MET   2           HG2      MET   2  -0.565  -6.095  -1.456
   14    HG3  MET   2           HG1      MET   2  -1.355  -4.542  -1.043
   15    HE1  MET   2           HE1      MET   2  -4.941  -5.888  -1.446
   16    HE2  MET   2           HE2      MET   2  -3.786  -4.521  -1.570
   17    HE3  MET   2           HE3      MET   2  -4.582  -4.877  -0.000
   18    H    ARG   3           HN       ARG   3  -4.374  -4.485  -2.936
   19    HA   ARG   3           HA       ARG   3  -5.718  -4.555  -5.449
   20    HB2  ARG   3           HB2      ARG   3  -6.869  -5.378  -3.230
   21    HB3  ARG   3           HB1      ARG   3  -6.807  -3.617  -2.824
   22    HG2  ARG   3           HG2      ARG   3  -7.983  -4.401  -5.503
   23    HG3  ARG   3           HG1      ARG   3  -8.957  -4.744  -4.027
   24    HD2  ARG   3           HD2      ARG   3  -7.715  -2.062  -3.883
   25    HD3  ARG   3           HD1      ARG   3  -8.753  -2.236  -5.373
   26    HE   ARG   3           HE       ARG   3 -10.188  -3.331  -3.130
   27   HH11  ARG   3          HH11      ARG   3  -8.925  -0.255  -4.398
   28   HH12  ARG   3          HH12      ARG   3 -10.148   0.730  -3.666
   29   HH21  ARG   3          HH21      ARG   3 -11.855  -1.995  -2.131
   30   HH22  ARG   3          HH22      ARG   3 -11.841  -0.278  -2.354
   31    H    LEU   4           HN       LEU   4  -4.234  -3.014  -2.865
   32    HA   LEU   4           HA       LEU   4  -5.124  -0.435  -3.398
   33    HB2  LEU   4           HB2      LEU   4  -2.471  -0.605  -2.333
   34    HB3  LEU   4           HB1      LEU   4  -3.915   0.066  -1.567
   35    HG   LEU   4           HG       LEU   4  -3.318  -2.837  -1.731
   36   HD11  LEU   4          HD11      LEU   4  -1.736  -2.613  -0.225
   37   HD12  LEU   4          HD12      LEU   4  -2.897  -1.827   0.929
   38   HD13  LEU   4          HD13      LEU   4  -1.961  -0.823  -0.264
   39   HD21  LEU   4          HD21      LEU   4  -5.485  -1.170  -0.434
   40   HD22  LEU   4          HD22      LEU   4  -4.945  -2.681   0.398
   41   HD23  LEU   4          HD23      LEU   4  -5.593  -2.759  -1.294
   42    H    SER   5           HN       SER   5  -2.457  -2.393  -3.816
   43    HA   SER   5           HA       SER   5  -0.458  -1.181  -4.612
   44    HB2  SER   5           HB2      SER   5   0.342  -3.164  -5.049
   45    HB3  SER   5           HB1      SER   5  -1.330  -3.679  -4.546
   46    HG   SER   5           HG       SER   5  -0.471  -3.155  -7.232
   47    H    LYS   6           HN       LYS   6  -3.124  -0.670  -6.563
   48    HA   LYS   6           HA       LYS   6  -1.445   0.225  -8.745
   49    HB2  LYS   6           HB2      LYS   6  -4.363   0.918  -7.987
   50    HB3  LYS   6           HB1      LYS   6  -3.523   1.423  -9.496
   51    HG2  LYS   6           HG2      LYS   6  -3.438  -0.857 -10.326
   52    HG3  LYS   6           HG1      LYS   6  -3.966  -1.526  -8.744
   53    HD2  LYS   6           HD2      LYS   6  -5.879  -1.591 -10.215
   54    HD3  LYS   6           HD1      LYS   6  -6.163  -0.276  -9.025
   55    HE2  LYS   6           HE2      LYS   6  -6.842   0.527 -11.250
   56    HE3  LYS   6           HE1      LYS   6  -5.321   1.398 -10.791
   57    HZ1  LYS   6           HZ1      LYS   6  -4.709  -1.027 -12.105
   58    HZ2  LYS   6           HZ2      LYS   6  -4.348   0.573 -12.550
   59    HZ3  LYS   6           HZ3      LYS   6  -5.811  -0.136 -13.040
   60    H    PHE   7           HN       PHE   7  -1.761   0.444  -5.491
   61    HA   PHE   7           HA       PHE   7  -2.136   3.203  -5.006
   62    HB2  PHE   7           HB2      PHE   7  -3.148   1.275  -3.940
   63    HB3  PHE   7           HB1      PHE   7  -1.638   0.835  -3.188
   64    HD1  PHE   7           HD1      PHE   7  -4.578   1.565  -2.445
   65    HD2  PHE   7           HD2      PHE   7  -0.792   3.383  -2.373
   66    HE1  PHE   7           HE1      PHE   7  -5.006   2.494  -0.283
   67    HE2  PHE   7           HE2      PHE   7  -1.053   4.341  -0.396
   68    HZ   PHE   7           HZ       PHE   7  -3.306   3.999   0.854
   69    H    PHE   8           HN       PHE   8  -0.181   0.611  -3.649
   70    HA   PHE   8           HA       PHE   8   1.221   2.684  -2.337
   71    HB2  PHE   8           HB2      PHE   8   2.630   0.559  -1.570
   72    HB3  PHE   8           HB1      PHE   8   1.086   0.924  -0.757
   73    HD1  PHE   8           HD1      PHE   8   3.074  -1.163  -2.232
   74    HD2  PHE   8           HD2      PHE   8  -0.886  -0.065  -1.689
   75    HE1  PHE   8           HE1      PHE   8   2.466  -3.280  -2.869
   76    HE2  PHE   8           HE2      PHE   8  -1.542  -2.239  -2.364
   77    HZ   PHE   8           HZ       PHE   8   0.135  -3.863  -2.910
   78    H    ARG   9           HN       ARG   9   1.142   0.140  -4.358
   79    HA   ARG   9           HA       ARG   9   3.816   0.081  -4.807
   80    HB2  ARG   9           HB2      ARG   9   1.318  -1.055  -5.790
   81    HB3  ARG   9           HB1      ARG   9   2.612  -0.935  -7.059
   82    HG2  ARG   9           HG2      ARG   9   3.189  -2.202  -4.346
   83    HG3  ARG   9           HG1      ARG   9   2.320  -3.152  -5.598
   84    HD2  ARG   9           HD2      ARG   9   4.991  -1.727  -6.170
   85    HD3  ARG   9           HD1      ARG   9   4.910  -3.423  -5.515
   86    HE   ARG   9           HE       ARG   9   3.168  -3.312  -7.770
   87   HH11  ARG   9          HH11      ARG   9   6.614  -2.896  -6.971
   88   HH12  ARG   9          HH12      ARG   9   7.196  -3.442  -8.508
   89   HH21  ARG   9          HH21      ARG   9   3.959  -4.056  -9.861
   90   HH22  ARG   9          HH22      ARG   9   5.660  -4.113 -10.179
   91    H    ASP  10           HN       ASP  10   1.461   2.146  -5.036
   92    HA   ASP  10           HA       ASP  10   2.669   3.202  -7.295
   93    HB2  ASP  10           HB2      ASP  10   0.495   2.211  -7.472
   94    HB3  ASP  10           HB1      ASP  10  -0.070   3.683  -6.602
   95    H    DPN  11           HN       DPN  11   2.306   3.679  -4.001
   96    HA   DPN  11           HA       DPN  11   2.014   6.534  -4.482
   97    HB2  DPN  11           HB1      DPN  11   4.521   6.275  -3.248
   98    HB3  DPN  11           HB2      DPN  11   4.179   6.988  -4.867
   99    HD1  DPN  11           HD1      DPN  11   4.524   5.543  -6.857
  100    HD2  DPN  11           HD2      DPN  11   4.932   4.457  -2.879
  101    HE1  DPN  11           HE1      DPN  11   4.923   3.188  -7.454
  102    HE2  DPN  11           HE2      DPN  11   5.314   2.277  -3.428
  103    HZ   DPN  11           HZ       DPN  11   5.220   1.709  -5.567
  104    H    ILE  12           HN       ILE  12   3.902   4.858  -2.047
  105    HA   ILE  12           HA       ILE  12   3.386   6.746  -0.126
  106    HB   ILE  12           HB       ILE  12   2.485   4.676   1.351
  107   HG12  ILE  12          HG12      ILE  12   0.655   3.625   0.071
  108   HG13  ILE  12          HG11      ILE  12   1.206   4.513  -1.409
  109   HG21  ILE  12          HG21      ILE  12   0.102   5.974   0.617
  110   HG22  ILE  12          HG22      ILE  12   1.353   7.196   0.181
  111   HG23  ILE  12          HG23      ILE  12   1.254   6.568   1.871
  112   HD11  ILE  12          HD11      ILE  12   2.222   2.142  -0.395
  113   HD12  ILE  12          HD12      ILE  12   3.411   3.351  -0.065
  114   HD13  ILE  12          HD13      ILE  12   2.859   3.149  -1.753
  115    H    LEU  13           HN       LEU  13   4.933   4.306  -1.719
  116    HA   LEU  13           HA       LEU  13   6.637   3.518   0.528
  117    HB2  LEU  13           HB2      LEU  13   6.666   2.451  -2.310
  118    HB3  LEU  13           HB1      LEU  13   7.194   1.606  -0.810
  119    HG   LEU  13           HG       LEU  13   4.425   2.428  -1.608
  120   HD11  LEU  13          HD11      LEU  13   4.573  -0.395  -1.393
  121   HD12  LEU  13          HD12      LEU  13   6.065   0.123  -2.273
  122   HD13  LEU  13          HD13      LEU  13   4.448   0.616  -2.894
  123   HD21  LEU  13          HD21      LEU  13   3.704   1.187   0.440
  124   HD22  LEU  13          HD22      LEU  13   4.786   2.603   0.811
  125   HD23  LEU  13          HD23      LEU  13   5.439   0.906   0.866
  126    H    GLN  14           HN       GLN  14   6.631   4.424  -2.945
  127    HA   GLN  14           HA       GLN  14   9.462   4.733  -3.004
  128    HB2  GLN  14           HB2      GLN  14   7.462   6.308  -4.701
  129    HB3  GLN  14           HB1      GLN  14   9.192   5.998  -5.097
  130    HG2  GLN  14           HG2      GLN  14   6.866   4.092  -5.025
  131    HG3  GLN  14           HG1      GLN  14   7.911   4.486  -6.434
  132   HE21  GLN  14          HE21      GLN  14   7.267   2.491  -3.815
  133   HE22  GLN  14          HE22      GLN  14   8.722   1.533  -3.784
  134    H    ARG  15           HN       ARG  15   6.786   6.395  -1.771
  135    HA   ARG  15           HA       ARG  15   8.429   8.799  -1.586
  136    HB2  ARG  15           HB2      ARG  15   5.646   8.822  -0.457
  137    HB3  ARG  15           HB1      ARG  15   6.506  10.102  -1.376
  138    HG2  ARG  15           HG2      ARG  15   5.748   9.351  -3.412
  139    HG3  ARG  15           HG1      ARG  15   5.821   7.618  -2.923
  140    HD2  ARG  15           HD2      ARG  15   3.457   8.308  -3.223
  141    HD3  ARG  15           HD1      ARG  15   3.793   7.947  -1.468
  142    HE   ARG  15           HE       ARG  15   4.302  10.724  -1.816
  143   HH11  ARG  15          HH11      ARG  15   1.571   8.461  -2.234
  144   HH12  ARG  15          HH12      ARG  15   0.351   9.650  -1.910
  145   HH21  ARG  15          HH21      ARG  15   2.637  12.321  -1.376
  146   HH22  ARG  15          HH22      ARG  15   0.966  11.872  -1.414
  147    H    LYS  16           HN       LYS  16   6.853   6.137  -0.025
  148    HA   LYS  16           HA       LYS  16   7.014   5.210   1.900
  149    HB2  LYS  16           HB2      LYS  16   8.838   7.509   2.692
  150    HB3  LYS  16           HB1      LYS  16   8.466   6.127   3.763
  151    HG2  LYS  16           HG2      LYS  16   9.854   5.923   1.023
  152    HG3  LYS  16           HG1      LYS  16  10.696   5.922   2.612
  153    HD2  LYS  16           HD2      LYS  16   9.361   3.870   3.269
  154    HD3  LYS  16           HD1      LYS  16   8.636   3.854   1.622
  155    HE2  LYS  16           HE2      LYS  16  10.920   3.554   0.614
  156    HE3  LYS  16           HE1      LYS  16  11.653   3.575   2.273
  157    HZ1  LYS  16           HZ1      LYS  16  10.387   1.462   0.872
  158    HZ2  LYS  16           HZ2      LYS  16   9.605   1.733   2.354
  159    HZ3  LYS  16           HZ3      LYS  16  11.276   1.434   2.318
  160    H    LYS  17           HN       LYS  17   5.376   7.796   1.130
  161    HA   LYS  17           HA       LYS  17   3.772   7.557   3.413
  162    HB2  LYS  17           HB2      LYS  17   3.852  10.200   3.828
  163    HB3  LYS  17           HB1      LYS  17   4.977   9.108   4.698
  164    HG2  LYS  17           HG2      LYS  17   6.430  10.773   3.953
  165    HG3  LYS  17           HG1      LYS  17   6.604   9.542   2.663
  166    HD2  LYS  17           HD2      LYS  17   4.749  10.870   1.383
  167    HD3  LYS  17           HD1      LYS  17   5.023  12.174   2.589
  168    HE2  LYS  17           HE2      LYS  17   7.474  12.218   1.934
  169    HE3  LYS  17           HE1      LYS  17   7.121  10.964   0.670
  170    HZ1  LYS  17           HZ1      LYS  17   5.536  12.502  -0.304
  171    HZ2  LYS  17           HZ2      LYS  17   7.096  13.168  -0.239
  172    HZ3  LYS  17           HZ3      LYS  17   5.908  13.676   0.863
  Start of MODEL    9
    1    H1   GLU   1           HT1      GLU   1  -0.152 -10.272  -3.539
    2    H2   GLU   1           HT2      GLU   1  -0.804 -11.667  -4.257
    3    H3   GLU   1           HT3      GLU   1  -1.602 -10.932  -2.949
    4    HA   GLU   1           HA       GLU   1  -1.104  -9.466  -5.437
    5    HB2  GLU   1           HB2      GLU   1  -2.296 -11.598  -6.035
    6    HB3  GLU   1           HB1      GLU   1  -3.526 -11.244  -4.775
    7    HG2  GLU   1           HG2      GLU   1  -4.449 -10.639  -6.979
    8    HG3  GLU   1           HG1      GLU   1  -4.158  -9.118  -6.049
    9    H    MET   2           HN       MET   2  -1.266  -7.358  -4.695
   10    HA   MET   2           HA       MET   2  -3.256  -6.864  -2.629
   11    HB2  MET   2           HB2      MET   2  -0.843  -5.385  -3.644
   12    HB3  MET   2           HB1      MET   2  -2.221  -4.385  -3.070
   13    HG2  MET   2           HG2      MET   2  -0.280  -6.085  -1.537
   14    HG3  MET   2           HG1      MET   2  -1.065  -4.531  -1.124
   15    HE1  MET   2           HE1      MET   2  -4.700  -5.927  -1.131
   16    HE2  MET   2           HE2      MET   2  -3.564  -4.624  -1.602
   17    HE3  MET   2           HE3      MET   2  -4.118  -4.754   0.103
   18    H    ARG   3           HN       ARG   3  -4.241  -4.552  -2.916
   19    HA   ARG   3           HA       ARG   3  -5.515  -4.636  -5.491
   20    HB2  ARG   3           HB2      ARG   3  -6.486  -4.369  -2.689
   21    HB3  ARG   3           HB1      ARG   3  -7.449  -3.619  -4.016
   22    HG2  ARG   3           HG2      ARG   3  -8.501  -5.726  -3.686
   23    HG3  ARG   3           HG1      ARG   3  -7.412  -6.030  -5.088
   24    HD2  ARG   3           HD2      ARG   3  -6.150  -7.552  -3.909
   25    HD3  ARG   3           HD1      ARG   3  -6.049  -6.451  -2.460
   26    HE   ARG   3           HE       ARG   3  -8.694  -7.378  -2.456
   27   HH11  ARG   3          HH11      ARG   3  -5.448  -8.854  -2.537
   28   HH12  ARG   3          HH12      ARG   3  -5.905 -10.270  -1.650
   29   HH21  ARG   3          HH21      ARG   3  -9.311  -9.308  -1.253
   30   HH22  ARG   3          HH22      ARG   3  -8.135 -10.532  -0.910
   31    H    LEU   4           HN       LEU   4  -4.057  -3.116  -2.912
   32    HA   LEU   4           HA       LEU   4  -5.035  -0.541  -3.405
   33    HB2  LEU   4           HB2      LEU   4  -2.374  -0.654  -2.344
   34    HB3  LEU   4           HB1      LEU   4  -3.835  -0.023  -1.572
   35    HG   LEU   4           HG       LEU   4  -3.168  -2.909  -1.761
   36   HD11  LEU   4          HD11      LEU   4  -1.598  -2.665  -0.249
   37   HD12  LEU   4          HD12      LEU   4  -2.777  -1.909   0.909
   38   HD13  LEU   4          HD13      LEU   4  -1.859  -0.879  -0.278
   39   HD21  LEU   4          HD21      LEU   4  -5.407  -1.316  -0.528
   40   HD22  LEU   4          HD22      LEU   4  -4.807  -2.748   0.396
   41   HD23  LEU   4          HD23      LEU   4  -5.422  -2.954  -1.299
   42    H    SER   5           HN       SER   5  -2.329  -2.430  -3.842
   43    HA   SER   5           HA       SER   5  -0.354  -1.184  -4.640
   44    HB2  SER   5           HB2      SER   5   0.468  -3.155  -5.087
   45    HB3  SER   5           HB1      SER   5  -1.198  -3.697  -4.588
   46    HG   SER   5           HG       SER   5  -0.334  -3.147  -7.268
   47    H    LYS   6           HN       LYS   6  -3.033  -0.692  -6.564
   48    HA   LYS   6           HA       LYS   6  -1.375   0.241  -8.750
   49    HB2  LYS   6           HB2      LYS   6  -4.293   0.963  -8.029
   50    HB3  LYS   6           HB1      LYS   6  -3.443   1.358  -9.563
   51    HG2  LYS   6           HG2      LYS   6  -4.142  -1.485  -8.594
   52    HG3  LYS   6           HG1      LYS   6  -5.075  -0.540  -9.804
   53    HD2  LYS   6           HD2      LYS   6  -2.965  -0.420 -11.235
   54    HD3  LYS   6           HD1      LYS   6  -2.162  -1.517 -10.061
   55    HE2  LYS   6           HE2      LYS   6  -4.750  -2.212 -11.610
   56    HE3  LYS   6           HE1      LYS   6  -3.080  -2.739 -12.081
   57    HZ1  LYS   6           HZ1      LYS   6  -4.838  -3.757 -10.073
   58    HZ2  LYS   6           HZ2      LYS   6  -3.300  -3.402  -9.446
   59    HZ3  LYS   6           HZ3      LYS   6  -3.454  -4.446 -10.776
   60    H    PHE   7           HN       PHE   7  -1.690   0.428  -5.502
   61    HA   PHE   7           HA       PHE   7  -2.117   3.175  -4.991
   62    HB2  PHE   7           HB2      PHE   7  -3.088   1.216  -3.940
   63    HB3  PHE   7           HB1      PHE   7  -1.567   0.802  -3.195
   64    HD1  PHE   7           HD1      PHE   7  -4.521   1.475  -2.443
   65    HD2  PHE   7           HD2      PHE   7  -0.766   3.353  -2.359
   66    HE1  PHE   7           HE1      PHE   7  -4.962   2.380  -0.273
   67    HE2  PHE   7           HE2      PHE   7  -1.041   4.291  -0.375
   68    HZ   PHE   7           HZ       PHE   7  -3.287   3.903   0.874
   69    H    PHE   8           HN       PHE   8  -0.109   0.607  -3.663
   70    HA   PHE   8           HA       PHE   8   1.260   2.695  -2.338
   71    HB2  PHE   8           HB2      PHE   8   2.711   0.588  -1.596
   72    HB3  PHE   8           HB1      PHE   8   1.164   0.919  -0.774
   73    HD1  PHE   8           HD1      PHE   8   3.181  -1.120  -2.281
   74    HD2  PHE   8           HD2      PHE   8  -0.795  -0.096  -1.701
   75    HE1  PHE   8           HE1      PHE   8   2.604  -3.240  -2.932
   76    HE2  PHE   8           HE2      PHE   8  -1.417  -2.274  -2.392
   77    HZ   PHE   8           HZ       PHE   8   0.284  -3.865  -2.965
   78    H    ARG   9           HN       ARG   9   1.222   0.168  -4.382
   79    HA   ARG   9           HA       ARG   9   3.895   0.162  -4.840
   80    HB2  ARG   9           HB2      ARG   9   1.415  -1.009  -5.828
   81    HB3  ARG   9           HB1      ARG   9   2.704  -0.856  -7.098
   82    HG2  ARG   9           HG2      ARG   9   3.304  -2.138  -4.396
   83    HG3  ARG   9           HG1      ARG   9   2.454  -3.091  -5.658
   84    HD2  ARG   9           HD2      ARG   9   5.102  -1.615  -6.210
   85    HD3  ARG   9           HD1      ARG   9   5.047  -3.317  -5.572
   86    HE   ARG   9           HE       ARG   9   3.310  -3.206  -7.834
   87   HH11  ARG   9          HH11      ARG   9   6.746  -2.773  -7.007
   88   HH12  ARG   9          HH12      ARG   9   7.343  -3.302  -8.544
   89   HH21  ARG   9          HH21      ARG   9   4.119  -3.925  -9.926
   90   HH22  ARG   9          HH22      ARG   9   5.823  -3.968 -10.233
   91    H    ASP  10           HN       ASP  10   1.501   2.183  -5.044
   92    HA   ASP  10           HA       ASP  10   2.681   3.282  -7.295
   93    HB2  ASP  10           HB2      ASP  10   0.529   2.246  -7.481
   94    HB3  ASP  10           HB1      ASP  10  -0.068   3.697  -6.596
   95    H    DPN  11           HN       DPN  11   2.317   3.725  -3.997
   96    HA   DPN  11           HA       DPN  11   1.957   6.574  -4.451
   97    HB2  DPN  11           HB1      DPN  11   4.476   6.375  -3.246
   98    HB3  DPN  11           HB2      DPN  11   4.105   7.077  -4.863
   99    HD1  DPN  11           HD1      DPN  11   4.484   5.650  -6.853
  100    HD2  DPN  11           HD2      DPN  11   4.934   4.561  -2.878
  101    HE1  DPN  11           HE1      DPN  11   4.932   3.307  -7.460
  102    HE2  DPN  11           HE2      DPN  11   5.357   2.388  -3.439
  103    HZ   DPN  11           HZ       DPN  11   5.267   1.827  -5.582
  104    H    ILE  12           HN       ILE  12   3.897   4.910  -2.043
  105    HA   ILE  12           HA       ILE  12   3.362   6.776  -0.096
  106    HB   ILE  12           HB       ILE  12   2.501   4.679   1.365
  107   HG12  ILE  12          HG12      ILE  12   0.685   3.608   0.082
  108   HG13  ILE  12          HG11      ILE  12   1.214   4.520  -1.393
  109   HG21  ILE  12          HG21      ILE  12   1.230   6.535   1.907
  110   HG22  ILE  12          HG22      ILE  12   0.095   5.946   0.635
  111   HG23  ILE  12          HG23      ILE  12   1.331   7.195   0.229
  112   HD11  ILE  12          HD11      ILE  12   2.273   2.156  -0.405
  113   HD12  ILE  12          HD12      ILE  12   3.444   3.381  -0.066
  114   HD13  ILE  12          HD13      ILE  12   2.890   3.186  -1.756
  115    H    LEU  13           HN       LEU  13   4.944   4.374  -1.716
  116    HA   LEU  13           HA       LEU  13   6.654   3.586   0.526
  117    HB2  LEU  13           HB2      LEU  13   6.705   2.562  -2.326
  118    HB3  LEU  13           HB1      LEU  13   7.251   1.707  -0.839
  119    HG   LEU  13           HG       LEU  13   4.468   2.490  -1.622
  120   HD11  LEU  13          HD11      LEU  13   6.149   0.214  -2.303
  121   HD12  LEU  13          HD12      LEU  13   4.533   0.698  -2.934
  122   HD13  LEU  13          HD13      LEU  13   4.657  -0.330  -1.440
  123   HD21  LEU  13          HD21      LEU  13   3.773   1.219   0.416
  124   HD22  LEU  13          HD22      LEU  13   4.836   2.647   0.799
  125   HD23  LEU  13          HD23      LEU  13   5.513   0.958   0.833
  126    H    GLN  14           HN       GLN  14   6.642   4.540  -2.927
  127    HA   GLN  14           HA       GLN  14   9.469   4.895  -2.984
  128    HB2  GLN  14           HB2      GLN  14   7.439   6.447  -4.670
  129    HB3  GLN  14           HB1      GLN  14   9.174   6.171  -5.069
  130    HG2  GLN  14           HG2      GLN  14   6.876   4.230  -5.027
  131    HG3  GLN  14           HG1      GLN  14   7.927   4.652  -6.422
  132   HE21  GLN  14          HE21      GLN  14   7.291   2.624  -3.830
  133   HE22  GLN  14          HE22      GLN  14   8.757   1.685  -3.796
  134    H    ARG  15           HN       ARG  15   6.744   6.519  -1.781
  135    HA   ARG  15           HA       ARG  15   8.343   8.956  -1.581
  136    HB2  ARG  15           HB2      ARG  15   5.572   8.915  -0.427
  137    HB3  ARG  15           HB1      ARG  15   6.394  10.217  -1.350
  138    HG2  ARG  15           HG2      ARG  15   5.610   9.471  -3.371
  139    HG3  ARG  15           HG1      ARG  15   5.759   7.734  -2.910
  140    HD2  ARG  15           HD2      ARG  15   3.361   8.346  -3.149
  141    HD3  ARG  15           HD1      ARG  15   3.756   7.954  -1.417
  142    HE   ARG  15           HE       ARG  15   3.425  10.258  -0.867
  143   HH11  ARG  15          HH11      ARG  15   3.422   9.742  -4.400
  144   HH12  ARG  15          HH12      ARG  15   2.826  11.322  -4.783
  145   HH21  ARG  15          HH21      ARG  15   2.615  12.401  -1.396
  146   HH22  ARG  15          HH22      ARG  15   2.361  12.857  -3.047
  147    H    LYS  16           HN       LYS  16   6.910   6.225  -0.061
  148    HA   LYS  16           HA       LYS  16   7.121   5.263   1.842
  149    HB2  LYS  16           HB2      LYS  16   9.036   7.544   2.383
  150    HB3  LYS  16           HB1      LYS  16   8.521   6.503   3.741
  151    HG2  LYS  16           HG2      LYS  16  10.293   5.193   3.165
  152    HG3  LYS  16           HG1      LYS  16   9.227   4.610   1.838
  153    HD2  LYS  16           HD2      LYS  16  10.178   6.250   0.272
  154    HD3  LYS  16           HD1      LYS  16  11.136   7.016   1.587
  155    HE2  LYS  16           HE2      LYS  16  12.460   4.898   1.869
  156    HE3  LYS  16           HE1      LYS  16  11.490   4.120   0.549
  157    HZ1  LYS  16           HZ1      LYS  16  12.252   6.251  -0.727
  158    HZ2  LYS  16           HZ2      LYS  16  13.257   4.889  -0.588
  159    HZ3  LYS  16           HZ3      LYS  16  13.512   6.239   0.411
  160    H    LYS  17           HN       LYS  17   5.384   7.821   1.166
  161    HA   LYS  17           HA       LYS  17   3.765   7.462   3.401
  162    HB2  LYS  17           HB2      LYS  17   3.820  10.019   4.078
  163    HB3  LYS  17           HB1      LYS  17   5.019   8.897   4.800
  164    HG2  LYS  17           HG2      LYS  17   6.464  10.571   4.172
  165    HG3  LYS  17           HG1      LYS  17   6.475   9.629   2.649
  166    HD2  LYS  17           HD2      LYS  17   4.397  11.225   2.029
  167    HD3  LYS  17           HD1      LYS  17   5.132  12.287   3.281
  168    HE2  LYS  17           HE2      LYS  17   7.319  12.239   2.033
  169    HE3  LYS  17           HE1      LYS  17   6.560  11.180   0.770
  170    HZ1  LYS  17           HZ1      LYS  17   6.607  13.886   0.792
  171    HZ2  LYS  17           HZ2      LYS  17   5.039  13.548   1.351
  172    HZ3  LYS  17           HZ3      LYS  17   5.568  12.910  -0.131
  Start of MODEL   10
    1    H1   GLU   1           HT1      GLU   1  -0.226  -9.009  -3.476
    2    H2   GLU   1           HT2      GLU   1   0.604  -9.935  -4.634
    3    H3   GLU   1           HT3      GLU   1  -0.959 -10.386  -4.149
    4    HA   GLU   1           HA       GLU   1  -0.108  -8.486  -6.101
    5    HB2  GLU   1           HB2      GLU   1  -2.714  -9.953  -5.422
    6    HB3  GLU   1           HB1      GLU   1  -2.581  -8.823  -6.816
    7    HG2  GLU   1           HG2      GLU   1  -0.860 -10.231  -7.888
    8    HG3  GLU   1           HG1      GLU   1  -0.778 -11.308  -6.438
    9    H    MET   2           HN       MET   2  -2.520  -8.521  -3.391
   10    HA   MET   2           HA       MET   2  -3.518  -6.848  -2.319
   11    HB2  MET   2           HB2      MET   2  -1.087  -5.414  -3.336
   12    HB3  MET   2           HB1      MET   2  -2.470  -4.378  -2.854
   13    HG2  MET   2           HG2      MET   2  -0.601  -6.036  -1.187
   14    HG3  MET   2           HG1      MET   2  -1.363  -4.448  -0.871
   15    HE1  MET   2           HE1      MET   2  -3.840  -4.494  -1.396
   16    HE2  MET   2           HE2      MET   2  -4.402  -4.511   0.311
   17    HE3  MET   2           HE3      MET   2  -5.034  -5.721  -0.858
   18    H    ARG   3           HN       ARG   3  -4.336  -4.401  -2.781
   19    HA   ARG   3           HA       ARG   3  -5.705  -4.626  -5.292
   20    HB2  ARG   3           HB2      ARG   3  -6.646  -4.227  -2.494
   21    HB3  ARG   3           HB1      ARG   3  -7.607  -3.511  -3.841
   22    HG2  ARG   3           HG2      ARG   3  -8.727  -5.549  -3.600
   23    HG3  ARG   3           HG1      ARG   3  -7.466  -6.045  -4.789
   24    HD2  ARG   3           HD2      ARG   3  -6.896  -7.682  -3.266
   25    HD3  ARG   3           HD1      ARG   3  -6.157  -6.326  -2.291
   26    HE   ARG   3           HE       ARG   3  -8.985  -6.448  -1.733
   27   HH11  ARG   3          HH11      ARG   3  -5.960  -8.275  -1.294
   28   HH12  ARG   3          HH12      ARG   3  -6.439  -9.013   0.198
   29   HH21  ARG   3          HH21      ARG   3  -9.640  -7.453   0.295
   30   HH22  ARG   3          HH22      ARG   3  -8.568  -8.538   1.116
   31    H    LEU   4           HN       LEU   4  -4.267  -3.014  -2.745
   32    HA   LEU   4           HA       LEU   4  -5.160  -0.443  -3.382
   33    HB2  LEU   4           HB2      LEU   4  -2.524  -0.574  -2.259
   34    HB3  LEU   4           HB1      LEU   4  -3.986   0.122  -1.544
   35    HG   LEU   4           HG       LEU   4  -3.381  -2.786  -1.600
   36   HD11  LEU   4          HD11      LEU   4  -2.058  -0.727  -0.173
   37   HD12  LEU   4          HD12      LEU   4  -1.839  -2.516  -0.067
   38   HD13  LEU   4          HD13      LEU   4  -3.022  -1.684   1.033
   39   HD21  LEU   4          HD21      LEU   4  -5.637  -2.785  -1.174
   40   HD22  LEU   4          HD22      LEU   4  -5.617  -1.099  -0.505
   41   HD23  LEU   4          HD23      LEU   4  -5.062  -2.480   0.520
   42    H    SER   5           HN       SER   5  -2.496  -2.422  -3.685
   43    HA   SER   5           HA       SER   5  -0.473  -1.259  -4.486
   44    HB2  SER   5           HB2      SER   5   0.317  -3.265  -4.899
   45    HB3  SER   5           HB1      SER   5  -1.345  -3.729  -4.315
   46    HG   SER   5           HG       SER   5  -1.128  -4.805  -6.177
   47    H    LYS   6           HN       LYS   6  -3.108  -0.798  -6.507
   48    HA   LYS   6           HA       LYS   6  -1.386   0.014  -8.685
   49    HB2  LYS   6           HB2      LYS   6  -4.308   0.760  -7.995
   50    HB3  LYS   6           HB1      LYS   6  -3.440   1.210  -9.505
   51    HG2  LYS   6           HG2      LYS   6  -3.358  -1.098 -10.260
   52    HG3  LYS   6           HG1      LYS   6  -3.929  -1.708  -8.669
   53    HD2  LYS   6           HD2      LYS   6  -5.797  -1.791 -10.213
   54    HD3  LYS   6           HD1      LYS   6  -6.108  -0.474  -9.030
   55    HE2  LYS   6           HE2      LYS   6  -5.404   1.239 -10.704
   56    HE3  LYS   6           HE1      LYS   6  -4.991  -0.069 -11.890
   57    HZ1  LYS   6           HZ1      LYS   6  -7.680   0.007 -10.704
   58    HZ2  LYS   6           HZ2      LYS   6  -7.164  -0.547 -12.224
   59    HZ3  LYS   6           HZ3      LYS   6  -7.278   1.120 -11.922
   60    H    PHE   7           HN       PHE   7  -1.748   0.347  -5.446
   61    HA   PHE   7           HA       PHE   7  -2.104   3.125  -5.059
   62    HB2  PHE   7           HB2      PHE   7  -3.152   1.241  -3.948
   63    HB3  PHE   7           HB1      PHE   7  -1.658   0.814  -3.156
   64    HD1  PHE   7           HD1      PHE   7  -4.603   1.600  -2.492
   65    HD2  PHE   7           HD2      PHE   7  -0.799   3.376  -2.410
   66    HE1  PHE   7           HE1      PHE   7  -5.058   2.600  -0.369
   67    HE2  PHE   7           HE2      PHE   7  -1.084   4.398  -0.468
   68    HZ   PHE   7           HZ       PHE   7  -3.362   4.122   0.750
   69    H    PHE   8           HN       PHE   8  -0.196   0.558  -3.585
   70    HA   PHE   8           HA       PHE   8   1.205   2.662  -2.320
   71    HB2  PHE   8           HB2      PHE   8   2.580   0.551  -1.458
   72    HB3  PHE   8           HB1      PHE   8   1.026   0.959  -0.684
   73    HD1  PHE   8           HD1      PHE   8   3.016  -1.198  -2.064
   74    HD2  PHE   8           HD2      PHE   8  -0.940  -0.041  -1.608
   75    HE1  PHE   8           HE1      PHE   8   2.392  -3.327  -2.640
   76    HE2  PHE   8           HE2      PHE   8  -1.610  -2.229  -2.222
   77    HZ   PHE   8           HZ       PHE   8   0.055  -3.889  -2.696
   78    H    ARG   9           HN       ARG   9   1.134   0.054  -4.258
   79    HA   ARG   9           HA       ARG   9   3.815  -0.044  -4.658
   80    HB2  ARG   9           HB2      ARG   9   1.328  -1.196  -5.640
   81    HB3  ARG   9           HB1      ARG   9   2.638  -1.124  -6.896
   82    HG2  ARG   9           HG2      ARG   9   3.152  -2.312  -4.132
   83    HG3  ARG   9           HG1      ARG   9   2.322  -3.295  -5.385
   84    HD2  ARG   9           HD2      ARG   9   5.012  -1.883  -5.904
   85    HD3  ARG   9           HD1      ARG   9   4.904  -3.566  -5.222
   86    HE   ARG   9           HE       ARG   9   3.237  -3.487  -7.535
   87   HH11  ARG   9          HH11      ARG   9   6.656  -3.086  -6.625
   88   HH12  ARG   9          HH12      ARG   9   7.286  -3.663  -8.132
   89   HH21  ARG   9          HH21      ARG   9   4.092  -4.272  -9.585
   90   HH22  ARG   9          HH22      ARG   9   5.802  -4.349  -9.843
   91    H    ASP  10           HN       ASP  10   1.485   2.031  -4.995
   92    HA   ASP  10           HA       ASP  10   2.738   3.002  -7.265
   93    HB2  ASP  10           HB2      ASP  10   0.558   2.025  -7.445
   94    HB3  ASP  10           HB1      ASP  10  -0.007   3.530  -6.634
   95    H    DPN  11           HN       DPN  11   2.325   3.593  -3.994
   96    HA   DPN  11           HA       DPN  11   2.070   6.432  -4.575
   97    HB2  DPN  11           HB1      DPN  11   4.555   6.190  -3.292
   98    HB3  DPN  11           HB2      DPN  11   4.246   6.852  -4.940
   99    HD1  DPN  11           HD1      DPN  11   4.607   5.339  -6.875
  100    HD2  DPN  11           HD2      DPN  11   4.943   4.381  -2.858
  101    HE1  DPN  11           HE1      DPN  11   4.994   2.962  -7.388
  102    HE2  DPN  11           HE2      DPN  11   5.312   2.182  -3.328
  103    HZ   DPN  11           HZ       DPN  11   5.247   1.544  -5.449
  104    H    ILE  12           HN       ILE  12   3.896   4.811  -2.058
  105    HA   ILE  12           HA       ILE  12   3.372   6.771  -0.202
  106    HB   ILE  12           HB       ILE  12   2.429   4.754   1.323
  107   HG12  ILE  12          HG12      ILE  12   0.609   3.682   0.043
  108   HG13  ILE  12          HG11      ILE  12   1.197   4.518  -1.453
  109   HG21  ILE  12          HG21      ILE  12   0.069   6.043   0.519
  110   HG22  ILE  12          HG22      ILE  12   1.331   7.242   0.050
  111   HG23  ILE  12          HG23      ILE  12   1.213   6.676   1.760
  112   HD11  ILE  12          HD11      ILE  12   2.834   3.124  -1.727
  113   HD12  ILE  12          HD12      ILE  12   2.165   2.169  -0.324
  114   HD13  ILE  12          HD13      ILE  12   3.368   3.377  -0.050
  115    H    LEU  13           HN       LEU  13   4.925   4.271  -1.694
  116    HA   LEU  13           HA       LEU  13   6.582   3.537   0.607
  117    HB2  LEU  13           HB2      LEU  13   6.647   2.379  -2.194
  118    HB3  LEU  13           HB1      LEU  13   7.143   1.578  -0.660
  119    HG   LEU  13           HG       LEU  13   4.395   2.398  -1.528
  120   HD11  LEU  13          HD11      LEU  13   6.023   0.051  -2.082
  121   HD12  LEU  13          HD12      LEU  13   4.429   0.550  -2.759
  122   HD13  LEU  13          HD13      LEU  13   4.503  -0.414  -1.220
  123   HD21  LEU  13          HD21      LEU  13   5.357   0.954   1.013
  124   HD22  LEU  13          HD22      LEU  13   3.632   1.226   0.549
  125   HD23  LEU  13          HD23      LEU  13   4.716   2.650   0.890
  126    H    GLN  14           HN       GLN  14   6.646   4.327  -2.892
  127    HA   GLN  14           HA       GLN  14   9.479   4.610  -2.914
  128    HB2  GLN  14           HB2      GLN  14   7.524   6.146  -4.694
  129    HB3  GLN  14           HB1      GLN  14   9.256   5.806  -5.052
  130    HG2  GLN  14           HG2      GLN  14   6.908   3.928  -4.956
  131    HG3  GLN  14           HG1      GLN  14   7.980   4.265  -6.359
  132   HE21  GLN  14          HE21      GLN  14   7.271   2.362  -3.689
  133   HE22  GLN  14          HE22      GLN  14   8.715   1.390  -3.602
  134    H    ARG  15           HN       ARG  15   6.801   6.336  -1.782
  135    HA   ARG  15           HA       ARG  15   8.464   8.733  -1.649
  136    HB2  ARG  15           HB2      ARG  15   5.665   8.824  -0.574
  137    HB3  ARG  15           HB1      ARG  15   6.551  10.060  -1.526
  138    HG2  ARG  15           HG2      ARG  15   5.799   9.252  -3.537
  139    HG3  ARG  15           HG1      ARG  15   5.873   7.534  -2.999
  140    HD2  ARG  15           HD2      ARG  15   3.506   8.201  -3.327
  141    HD3  ARG  15           HD1      ARG  15   3.837   7.901  -1.564
  142    HE   ARG  15           HE       ARG  15   3.575  10.246  -1.163
  143   HH11  ARG  15          HH11      ARG  15   3.642   9.512  -4.656
  144   HH12  ARG  15          HH12      ARG  15   3.109  11.084  -5.150
  145   HH21  ARG  15          HH21      ARG  15   2.850  12.377  -1.843
  146   HH22  ARG  15          HH22      ARG  15   2.652  12.738  -3.524
  147    H    LYS  16           HN       LYS  16   6.837   6.138  -0.028
  148    HA   LYS  16           HA       LYS  16   6.944   5.281   1.935
  149    HB2  LYS  16           HB2      LYS  16   8.786   7.588   2.656
  150    HB3  LYS  16           HB1      LYS  16   8.354   6.284   3.800
  151    HG2  LYS  16           HG2      LYS  16   9.809   5.891   1.117
  152    HG3  LYS  16           HG1      LYS  16  10.603   5.947   2.728
  153    HD2  LYS  16           HD2      LYS  16   9.088   3.986   3.425
  154    HD3  LYS  16           HD1      LYS  16   8.572   3.870   1.707
  155    HE2  LYS  16           HE2      LYS  16  11.506   3.647   2.679
  156    HE3  LYS  16           HE1      LYS  16  10.428   2.245   2.279
  157    HZ1  LYS  16           HZ1      LYS  16  11.844   4.053   0.556
  158    HZ2  LYS  16           HZ2      LYS  16  10.210   3.863   0.117
  159    HZ3  LYS  16           HZ3      LYS  16  11.223   2.500   0.258
  160    H    LYS  17           HN       LYS  17   5.343   7.840   1.028
  161    HA   LYS  17           HA       LYS  17   3.624   7.700   3.205
  162    HB2  LYS  17           HB2      LYS  17   3.783  10.289   3.741
  163    HB3  LYS  17           HB1      LYS  17   4.879   9.147   4.586
  164    HG2  LYS  17           HG2      LYS  17   6.455  10.690   3.946
  165    HG3  LYS  17           HG1      LYS  17   6.473   9.682   2.464
  166    HD2  LYS  17           HD2      LYS  17   4.514  11.378   1.703
  167    HD3  LYS  17           HD1      LYS  17   5.289  12.446   2.924
  168    HE2  LYS  17           HE2      LYS  17   7.498  12.190   1.748
  169    HE3  LYS  17           HE1      LYS  17   6.707  11.115   0.518
  170    HZ1  LYS  17           HZ1      LYS  17   6.945  13.792   0.366
  171    HZ2  LYS  17           HZ2      LYS  17   5.357  13.628   0.945
  172    HZ3  LYS  17           HZ3      LYS  17   5.823  12.849  -0.492
  Start of MODEL   11
    1    H1   GLU   1           HT1      GLU   1   0.280  -8.044  -4.838
    2    H2   GLU   1           HT2      GLU   1   0.388  -9.206  -6.072
    3    H3   GLU   1           HT3      GLU   1   0.977  -9.560  -4.518
    4    HA   GLU   1           HA       GLU   1  -1.666  -9.739  -5.572
    5    HB2  GLU   1           HB2      GLU   1  -0.375 -10.746  -2.968
    6    HB3  GLU   1           HB1      GLU   1  -1.944 -11.318  -3.636
    7    HG2  GLU   1           HG2      GLU   1   0.780 -11.613  -5.079
    8    HG3  GLU   1           HG1      GLU   1  -0.021 -12.907  -4.104
    9    H    MET   2           HN       MET   2  -1.925  -7.194  -5.265
   10    HA   MET   2           HA       MET   2  -3.361  -6.920  -2.758
   11    HB2  MET   2           HB2      MET   2  -0.989  -5.306  -3.578
   12    HB3  MET   2           HB1      MET   2  -2.412  -4.343  -3.057
   13    HG2  MET   2           HG2      MET   2  -0.552  -6.095  -1.470
   14    HG3  MET   2           HG1      MET   2  -1.340  -4.541  -1.058
   15    HE1  MET   2           HE1      MET   2  -3.775  -4.525  -1.578
   16    HE2  MET   2           HE2      MET   2  -4.565  -4.876  -0.004
   17    HE3  MET   2           HE3      MET   2  -4.927  -5.893  -1.443
   18    H    ARG   3           HN       ARG   3  -4.370  -4.486  -2.940
   19    HA   ARG   3           HA       ARG   3  -5.716  -4.558  -5.452
   20    HB2  ARG   3           HB2      ARG   3  -6.866  -5.382  -3.234
   21    HB3  ARG   3           HB1      ARG   3  -6.803  -3.621  -2.827
   22    HG2  ARG   3           HG2      ARG   3  -7.981  -4.402  -5.507
   23    HG3  ARG   3           HG1      ARG   3  -8.955  -4.747  -4.030
   24    HD2  ARG   3           HD2      ARG   3  -7.710  -2.065  -3.886
   25    HD3  ARG   3           HD1      ARG   3  -8.755  -2.238  -5.371
   26    HE   ARG   3           HE       ARG   3 -10.185  -3.335  -3.130
   27   HH11  ARG   3          HH11      ARG   3  -8.910  -0.254  -4.377
   28   HH12  ARG   3          HH12      ARG   3 -10.124   0.730  -3.633
   29   HH21  ARG   3          HH21      ARG   3 -11.840  -1.998  -2.115
   30   HH22  ARG   3          HH22      ARG   3 -11.819  -0.279  -2.323
   31    H    LEU   4           HN       LEU   4  -4.231  -3.016  -2.869
   32    HA   LEU   4           HA       LEU   4  -5.124  -0.438  -3.401
   33    HB2  LEU   4           HB2      LEU   4  -2.468  -0.606  -2.337
   34    HB3  LEU   4           HB1      LEU   4  -3.913   0.063  -1.570
   35    HG   LEU   4           HG       LEU   4  -3.314  -2.839  -1.736
   36   HD11  LEU   4          HD11      LEU   4  -1.730  -2.615  -0.234
   37   HD12  LEU   4          HD12      LEU   4  -2.891  -1.835   0.924
   38   HD13  LEU   4          HD13      LEU   4  -1.959  -0.825  -0.267
   39   HD21  LEU   4          HD21      LEU   4  -4.940  -2.686   0.395
   40   HD22  LEU   4          HD22      LEU   4  -5.588  -2.765  -1.297
   41   HD23  LEU   4          HD23      LEU   4  -5.480  -1.174  -0.437
   42    H    SER   5           HN       SER   5  -2.456  -2.393  -3.823
   43    HA   SER   5           HA       SER   5  -0.458  -1.177  -4.618
   44    HB2  SER   5           HB2      SER   5   0.345  -3.158  -5.062
   45    HB3  SER   5           HB1      SER   5  -1.325  -3.676  -4.554
   46    HG   SER   5           HG       SER   5  -0.467  -3.153  -7.241
   47    H    LYS   6           HN       LYS   6  -3.130  -0.672  -6.579
   48    HA   LYS   6           HA       LYS   6  -1.453   0.234  -8.753
   49    HB2  LYS   6           HB2      LYS   6  -4.367   0.905  -7.963
   50    HB3  LYS   6           HB1      LYS   6  -3.544   1.433  -9.476
   51    HG2  LYS   6           HG2      LYS   6  -3.355  -0.920 -10.236
   52    HG3  LYS   6           HG1      LYS   6  -4.096  -1.498  -8.702
   53    HD2  LYS   6           HD2      LYS   6  -6.181  -0.254  -9.232
   54    HD3  LYS   6           HD1      LYS   6  -5.453   0.341 -10.765
   55    HE2  LYS   6           HE2      LYS   6  -5.262  -2.027 -11.596
   56    HE3  LYS   6           HE1      LYS   6  -5.993  -2.623 -10.047
   57    HZ1  LYS   6           HZ1      LYS   6  -7.616  -2.439 -11.782
   58    HZ2  LYS   6           HZ2      LYS   6  -7.270  -0.793 -12.016
   59    HZ3  LYS   6           HZ3      LYS   6  -7.956  -1.317 -10.554
   60    H    PHE   7           HN       PHE   7  -1.762   0.448  -5.495
   61    HA   PHE   7           HA       PHE   7  -2.139   3.205  -5.003
   62    HB2  PHE   7           HB2      PHE   7  -3.148   1.273  -3.940
   63    HB3  PHE   7           HB1      PHE   7  -1.637   0.834  -3.190
   64    HD1  PHE   7           HD1      PHE   7  -4.578   1.563  -2.444
   65    HD2  PHE   7           HD2      PHE   7  -0.792   3.381  -2.371
   66    HE1  PHE   7           HE1      PHE   7  -5.005   2.486  -0.280
   67    HE2  PHE   7           HE2      PHE   7  -1.053   4.334  -0.391
   68    HZ   PHE   7           HZ       PHE   7  -3.305   3.989   0.858
   69    H    PHE   8           HN       PHE   8  -0.180   0.611  -3.653
   70    HA   PHE   8           HA       PHE   8   1.220   2.686  -2.340
   71    HB2  PHE   8           HB2      PHE   8   2.632   0.561  -1.575
   72    HB3  PHE   8           HB1      PHE   8   1.088   0.923  -0.761
   73    HD1  PHE   8           HD1      PHE   8   3.077  -1.161  -2.243
   74    HD2  PHE   8           HD2      PHE   8  -0.884  -0.067  -1.691
   75    HE1  PHE   8           HE1      PHE   8   2.469  -3.277  -2.882
   76    HE2  PHE   8           HE2      PHE   8  -1.539  -2.240  -2.370
   77    HZ   PHE   8           HZ       PHE   8   0.139  -3.863  -2.921
   78    H    ARG   9           HN       ARG   9   1.142   0.145  -4.365
   79    HA   ARG   9           HA       ARG   9   3.816   0.089  -4.816
   80    HB2  ARG   9           HB2      ARG   9   1.320  -1.049  -5.799
   81    HB3  ARG   9           HB1      ARG   9   2.611  -0.922  -7.071
   82    HG2  ARG   9           HG2      ARG   9   3.175  -2.205  -4.360
   83    HG3  ARG   9           HG1      ARG   9   2.335  -3.148  -5.637
   84    HD2  ARG   9           HD2      ARG   9   5.006  -1.695  -6.144
   85    HD3  ARG   9           HD1      ARG   9   4.923  -3.401  -5.517
   86    HE   ARG   9           HE       ARG   9   3.222  -3.266  -7.802
   87   HH11  ARG   9          HH11      ARG   9   6.649  -2.837  -6.934
   88   HH12  ARG   9          HH12      ARG   9   7.262  -3.353  -8.468
   89   HH21  ARG   9          HH21      ARG   9   4.054  -3.969  -9.890
   90   HH22  ARG   9          HH22      ARG   9   5.761  -4.008 -10.178
   91    H    ASP  10           HN       ASP  10   1.459   2.151  -5.038
   92    HA   ASP  10           HA       ASP  10   2.665   3.215  -7.293
   93    HB2  ASP  10           HB2      ASP  10   0.493   2.221  -7.474
   94    HB3  ASP  10           HB1      ASP  10  -0.075   3.690  -6.600
   95    H    DPN  11           HN       DPN  11   2.303   3.685  -3.998
   96    HA   DPN  11           HA       DPN  11   2.004   6.539  -4.472
   97    HB2  DPN  11           HB1      DPN  11   4.515   6.285  -3.246
   98    HB3  DPN  11           HB2      DPN  11   4.167   6.996  -4.865
   99    HD1  DPN  11           HD1      DPN  11   4.515   5.554  -6.855
  100    HD2  DPN  11           HD2      DPN  11   4.931   4.465  -2.878
  101    HE1  DPN  11           HE1      DPN  11   4.917   3.202  -7.455
  102    HE2  DPN  11           HE2      DPN  11   5.316   2.286  -3.430
  103    HZ   DPN  11           HZ       DPN  11   5.220   1.720  -5.571
  104    H    ILE  12           HN       ILE  12   3.895   4.852  -2.046
  105    HA   ILE  12           HA       ILE  12   3.383   6.739  -0.112
  106    HB   ILE  12           HB       ILE  12   2.488   4.659   1.355
  107   HG12  ILE  12          HG12      ILE  12   0.657   3.614   0.070
  108   HG13  ILE  12          HG11      ILE  12   1.210   4.509  -1.406
  109   HG21  ILE  12          HG21      ILE  12   1.347   7.180   0.197
  110   HG22  ILE  12          HG22      ILE  12   1.256   6.546   1.884
  111   HG23  ILE  12          HG23      ILE  12   0.102   5.952   0.633
  112   HD11  ILE  12          HD11      ILE  12   2.855   3.142  -1.757
  113   HD12  ILE  12          HD12      ILE  12   2.222   2.132  -0.377
  114   HD13  ILE  12          HD13      ILE  12   3.417   3.341  -0.082
  115    H    LEU  13           HN       LEU  13   4.936   4.308  -1.718
  116    HA   LEU  13           HA       LEU  13   6.636   3.510   0.529
  117    HB2  LEU  13           HB2      LEU  13   6.667   2.455  -2.313
  118    HB3  LEU  13           HB1      LEU  13   7.197   1.604  -0.818
  119    HG   LEU  13           HG       LEU  13   4.427   2.427  -1.610
  120   HD11  LEU  13          HD11      LEU  13   4.457   0.623  -2.905
  121   HD12  LEU  13          HD12      LEU  13   4.572  -0.395  -1.403
  122   HD13  LEU  13          HD13      LEU  13   6.068   0.120  -2.276
  123   HD21  LEU  13          HD21      LEU  13   3.711   1.178   0.437
  124   HD22  LEU  13          HD22      LEU  13   4.788   2.597   0.810
  125   HD23  LEU  13          HD23      LEU  13   5.448   0.901   0.859
  126    H    GLN  14           HN       GLN  14   6.637   4.426  -2.939
  127    HA   GLN  14           HA       GLN  14   9.468   4.733  -2.996
  128    HB2  GLN  14           HB2      GLN  14   7.470   6.314  -4.691
  129    HB3  GLN  14           HB1      GLN  14   9.199   6.000  -5.089
  130    HG2  GLN  14           HG2      GLN  14   6.867   4.101  -5.023
  131    HG3  GLN  14           HG1      GLN  14   7.915   4.495  -6.429
  132   HE21  GLN  14          HE21      GLN  14   7.262   2.495  -3.818
  133   HE22  GLN  14          HE22      GLN  14   8.715   1.533  -3.787
  134    H    ARG  15           HN       ARG  15   6.791   6.398  -1.770
  135    HA   ARG  15           HA       ARG  15   8.433   8.806  -1.585
  136    HB2  ARG  15           HB2      ARG  15   5.656   8.828  -0.449
  137    HB3  ARG  15           HB1      ARG  15   6.509  10.106  -1.375
  138    HG2  ARG  15           HG2      ARG  15   5.726   9.359  -3.398
  139    HG3  ARG  15           HG1      ARG  15   5.825   7.624  -2.920
  140    HD2  ARG  15           HD2      ARG  15   3.445   8.290  -3.180
  141    HD3  ARG  15           HD1      ARG  15   3.816   7.915  -1.440
  142    HE   ARG  15           HE       ARG  15   3.553  10.240  -0.927
  143   HH11  ARG  15          HH11      ARG  15   3.534   9.659  -4.452
  144   HH12  ARG  15          HH12      ARG  15   2.988  11.250  -4.863
  145   HH21  ARG  15          HH21      ARG  15   2.812  12.396  -1.496
  146   HH22  ARG  15          HH22      ARG  15   2.571  12.831  -3.155
  147    H    LYS  16           HN       LYS  16   6.859   6.142  -0.024
  148    HA   LYS  16           HA       LYS  16   7.027   5.210   1.901
  149    HB2  LYS  16           HB2      LYS  16   8.845   7.520   2.680
  150    HB3  LYS  16           HB1      LYS  16   8.481   6.145   3.761
  151    HG2  LYS  16           HG2      LYS  16   9.876   5.947   1.024
  152    HG3  LYS  16           HG1      LYS  16  10.705   5.924   2.617
  153    HD2  LYS  16           HD2      LYS  16   8.558   3.887   1.758
  154    HD3  LYS  16           HD1      LYS  16  10.324   3.635   1.548
  155    HE2  LYS  16           HE2      LYS  16  10.625   3.883   4.064
  156    HE3  LYS  16           HE1      LYS  16   8.824   4.012   4.230
  157    HZ1  LYS  16           HZ1      LYS  16   9.539   1.781   2.637
  158    HZ2  LYS  16           HZ2      LYS  16   8.669   1.849   4.093
  159    HZ3  LYS  16           HZ3      LYS  16  10.362   1.730   4.120
  160    H    LYS  17           HN       LYS  17   5.367   7.761   1.122
  161    HA   LYS  17           HA       LYS  17   3.707   7.540   3.333
  162    HB2  LYS  17           HB2      LYS  17   3.846  10.105   3.956
  163    HB3  LYS  17           HB1      LYS  17   4.991   8.959   4.724
  164    HG2  LYS  17           HG2      LYS  17   6.520  10.544   4.086
  165    HG3  LYS  17           HG1      LYS  17   6.496   9.601   2.563
  166    HD2  LYS  17           HD2      LYS  17   4.454  11.313   2.000
  167    HD3  LYS  17           HD1      LYS  17   5.347  12.339   3.177
  168    HE2  LYS  17           HE2      LYS  17   6.578  11.037   0.655
  169    HE3  LYS  17           HE1      LYS  17   6.082  12.774   0.814
  170    HZ1  LYS  17           HZ1      LYS  17   8.390  11.375   1.853
  171    HZ2  LYS  17           HZ2      LYS  17   7.645  12.427   2.959
  172    HZ3  LYS  17           HZ3      LYS  17   8.172  13.013   1.454
  Start of MODEL   12
    1    H1   GLU   1           HT1      GLU   1   0.523 -10.337  -4.018
    2    H2   GLU   1           HT2      GLU   1   0.233  -8.671  -4.170
    3    H3   GLU   1           HT3      GLU   1   0.337  -9.645  -5.558
    4    HA   GLU   1           HA       GLU   1  -1.824  -9.842  -5.509
    5    HB2  GLU   1           HB2      GLU   1  -1.158 -11.284  -2.882
    6    HB3  GLU   1           HB1      GLU   1  -2.802 -11.314  -3.616
    7    HG2  GLU   1           HG2      GLU   1  -1.940 -12.434  -5.651
    8    HG3  GLU   1           HG1      GLU   1  -0.241 -12.299  -5.047
    9    H    MET   2           HN       MET   2  -1.737  -7.342  -5.113
   10    HA   MET   2           HA       MET   2  -3.328  -6.848  -2.702
   11    HB2  MET   2           HB2      MET   2  -0.907  -5.375  -3.711
   12    HB3  MET   2           HB1      MET   2  -2.278  -4.370  -3.128
   13    HG2  MET   2           HG2      MET   2  -0.345  -6.095  -1.611
   14    HG3  MET   2           HG1      MET   2  -1.115  -4.535  -1.187
   15    HE1  MET   2           HE1      MET   2  -4.769  -5.896  -1.167
   16    HE2  MET   2           HE2      MET   2  -3.621  -4.610  -1.662
   17    HE3  MET   2           HE3      MET   2  -4.152  -4.726   0.051
   18    H    ARG   3           HN       ARG   3  -4.294  -4.522  -2.970
   19    HA   ARG   3           HA       ARG   3  -5.578  -4.585  -5.540
   20    HB2  ARG   3           HB2      ARG   3  -6.543  -4.322  -2.733
   21    HB3  ARG   3           HB1      ARG   3  -7.518  -3.598  -4.067
   22    HG2  ARG   3           HG2      ARG   3  -8.565  -5.693  -3.841
   23    HG3  ARG   3           HG1      ARG   3  -7.336  -6.074  -5.102
   24    HD2  ARG   3           HD2      ARG   3  -6.625  -7.760  -3.696
   25    HD3  ARG   3           HD1      ARG   3  -5.931  -6.434  -2.652
   26    HE   ARG   3           HE       ARG   3  -8.737  -6.745  -2.045
   27   HH11  ARG   3          HH11      ARG   3  -5.597  -8.406  -1.780
   28   HH12  ARG   3          HH12      ARG   3  -5.995  -9.258  -0.326
   29   HH21  ARG   3          HH21      ARG   3  -9.281  -7.905  -0.068
   30   HH22  ARG   3          HH22      ARG   3  -8.126  -8.968   0.663
   31    H    LEU   4           HN       LEU   4  -4.095  -3.090  -2.962
   32    HA   LEU   4           HA       LEU   4  -5.078  -0.509  -3.430
   33    HB2  LEU   4           HB2      LEU   4  -2.416  -0.637  -2.371
   34    HB3  LEU   4           HB1      LEU   4  -3.876  -0.009  -1.593
   35    HG   LEU   4           HG       LEU   4  -3.213  -2.894  -1.805
   36   HD11  LEU   4          HD11      LEU   4  -1.644  -2.666  -0.292
   37   HD12  LEU   4          HD12      LEU   4  -2.821  -1.916   0.871
   38   HD13  LEU   4          HD13      LEU   4  -1.901  -0.880  -0.308
   39   HD21  LEU   4          HD21      LEU   4  -5.460  -1.312  -0.582
   40   HD22  LEU   4          HD22      LEU   4  -4.853  -2.730   0.360
   41   HD23  LEU   4          HD23      LEU   4  -5.459  -2.961  -1.336
   42    H    SER   5           HN       SER   5  -2.380  -2.406  -3.884
   43    HA   SER   5           HA       SER   5  -0.400  -1.162  -4.675
   44    HB2  SER   5           HB2      SER   5   0.412  -3.134  -5.141
   45    HB3  SER   5           HB1      SER   5  -1.255  -3.672  -4.641
   46    HG   SER   5           HG       SER   5  -0.401  -3.102  -7.321
   47    H    LYS   6           HN       LYS   6  -3.090  -0.661  -6.611
   48    HA   LYS   6           HA       LYS   6  -1.438   0.289  -8.786
   49    HB2  LYS   6           HB2      LYS   6  -4.356   0.918  -7.974
   50    HB3  LYS   6           HB1      LYS   6  -3.547   1.470  -9.485
   51    HG2  LYS   6           HG2      LYS   6  -3.361  -0.848 -10.298
   52    HG3  LYS   6           HG1      LYS   6  -4.024  -1.483  -8.751
   53    HD2  LYS   6           HD2      LYS   6  -6.162  -0.265  -9.175
   54    HD3  LYS   6           HD1      LYS   6  -5.511   0.344 -10.736
   55    HE2  LYS   6           HE2      LYS   6  -5.860  -2.652 -10.036
   56    HE3  LYS   6           HE1      LYS   6  -7.024  -1.670 -11.019
   57    HZ1  LYS   6           HZ1      LYS   6  -4.588  -2.898 -11.780
   58    HZ2  LYS   6           HZ2      LYS   6  -4.531  -1.233 -12.106
   59    HZ3  LYS   6           HZ3      LYS   6  -5.791  -2.180 -12.736
   60    H    PHE   7           HN       PHE   7  -1.732   0.460  -5.524
   61    HA   PHE   7           HA       PHE   7  -2.141   3.205  -4.996
   62    HB2  PHE   7           HB2      PHE   7  -3.121   1.246  -3.956
   63    HB3  PHE   7           HB1      PHE   7  -1.601   0.817  -3.218
   64    HD1  PHE   7           HD1      PHE   7  -4.549   1.498  -2.455
   65    HD2  PHE   7           HD2      PHE   7  -0.785   3.360  -2.366
   66    HE1  PHE   7           HE1      PHE   7  -4.981   2.387  -0.277
   67    HE2  PHE   7           HE2      PHE   7  -1.052   4.284  -0.373
   68    HZ   PHE   7           HZ       PHE   7  -3.296   3.894   0.877
   69    H    PHE   8           HN       PHE   8  -0.144   0.618  -3.687
   70    HA   PHE   8           HA       PHE   8   1.236   2.692  -2.352
   71    HB2  PHE   8           HB2      PHE   8   2.677   0.572  -1.623
   72    HB3  PHE   8           HB1      PHE   8   1.132   0.905  -0.799
   73    HD1  PHE   8           HD1      PHE   8   3.137  -1.132  -2.328
   74    HD2  PHE   8           HD2      PHE   8  -0.832  -0.095  -1.726
   75    HE1  PHE   8           HE1      PHE   8   2.549  -3.246  -2.994
   76    HE2  PHE   8           HE2      PHE   8  -1.465  -2.265  -2.432
   77    HZ   PHE   8           HZ       PHE   8   0.226  -3.859  -3.023
   78    H    ARG   9           HN       ARG   9   1.182   0.179  -4.413
   79    HA   ARG   9           HA       ARG   9   3.855   0.163  -4.876
   80    HB2  ARG   9           HB2      ARG   9   1.367  -0.990  -5.864
   81    HB3  ARG   9           HB1      ARG   9   2.652  -0.834  -7.138
   82    HG2  ARG   9           HG2      ARG   9   3.264  -2.133  -4.448
   83    HG3  ARG   9           HG1      ARG   9   2.393  -3.076  -5.704
   84    HD2  ARG   9           HD2      ARG   9   5.043  -1.614  -6.285
   85    HD3  ARG   9           HD1      ARG   9   4.988  -3.317  -5.647
   86    HE   ARG   9           HE       ARG   9   3.221  -3.203  -7.883
   87   HH11  ARG   9          HH11      ARG   9   6.671  -2.759  -7.114
   88   HH12  ARG   9          HH12      ARG   9   7.244  -3.285  -8.661
   89   HH21  ARG   9          HH21      ARG   9   4.000  -3.920  -9.989
   90   HH22  ARG   9          HH22      ARG   9   5.698  -3.956 -10.323
   91    H    ASP  10           HN       ASP  10   1.470   2.198  -5.060
   92    HA   ASP  10           HA       ASP  10   2.652   3.307  -7.305
   93    HB2  ASP  10           HB2      ASP  10   0.493   2.286  -7.493
   94    HB3  ASP  10           HB1      ASP  10  -0.092   3.732  -6.595
   95    H    DPN  11           HN       DPN  11   2.298   3.727  -4.002
   96    HA   DPN  11           HA       DPN  11   1.954   6.580  -4.434
   97    HB2  DPN  11           HB1      DPN  11   4.474   6.357  -3.235
   98    HB3  DPN  11           HB2      DPN  11   4.104   7.075  -4.844
   99    HD1  DPN  11           HD1      DPN  11   4.470   5.661  -6.847
  100    HD2  DPN  11           HD2      DPN  11   4.923   4.538  -2.882
  101    HE1  DPN  11           HE1      DPN  11   4.901   3.321  -7.474
  102    HE2  DPN  11           HE2      DPN  11   5.333   2.368  -3.461
  103    HZ   DPN  11           HZ       DPN  11   5.233   1.823  -5.608
  104    H    ILE  12           HN       ILE  12   3.889   4.889  -2.038
  105    HA   ILE  12           HA       ILE  12   3.362   6.741  -0.083
  106    HB   ILE  12           HB       ILE  12   2.496   4.636   1.364
  107   HG12  ILE  12          HG12      ILE  12   0.672   3.585   0.075
  108   HG13  ILE  12          HG11      ILE  12   1.206   4.505  -1.392
  109   HG21  ILE  12          HG21      ILE  12   1.230   6.490   1.925
  110   HG22  ILE  12          HG22      ILE  12   0.094   5.918   0.646
  111   HG23  ILE  12          HG23      ILE  12   1.336   7.165   0.254
  112   HD11  ILE  12          HD11      ILE  12   3.433   3.350  -0.091
  113   HD12  ILE  12          HD12      ILE  12   2.867   3.162  -1.766
  114   HD13  ILE  12          HD13      ILE  12   2.243   2.127  -0.405
  115    H    LEU  13           HN       LEU  13   4.933   4.344  -1.722
  116    HA   LEU  13           HA       LEU  13   6.644   3.531   0.511
  117    HB2  LEU  13           HB2      LEU  13   6.683   2.526  -2.347
  118    HB3  LEU  13           HB1      LEU  13   7.225   1.657  -0.867
  119    HG   LEU  13           HG       LEU  13   4.446   2.463  -1.642
  120   HD11  LEU  13          HD11      LEU  13   4.502   0.681  -2.968
  121   HD12  LEU  13          HD12      LEU  13   4.613  -0.357  -1.481
  122   HD13  LEU  13          HD13      LEU  13   6.112   0.179  -2.336
  123   HD21  LEU  13          HD21      LEU  13   4.815   2.601   0.780
  124   HD22  LEU  13          HD22      LEU  13   5.487   0.908   0.802
  125   HD23  LEU  13          HD23      LEU  13   3.747   1.180   0.391
  126    H    GLN  14           HN       GLN  14   6.633   4.503  -2.940
  127    HA   GLN  14           HA       GLN  14   9.461   4.839  -2.999
  128    HB2  GLN  14           HB2      GLN  14   7.443   6.418  -4.672
  129    HB3  GLN  14           HB1      GLN  14   9.173   6.129  -5.076
  130    HG2  GLN  14           HG2      GLN  14   6.859   4.209  -5.040
  131    HG3  GLN  14           HG1      GLN  14   7.908   4.630  -6.436
  132   HE21  GLN  14          HE21      GLN  14   7.262   2.591  -3.855
  133   HE22  GLN  14          HE22      GLN  14   8.722   1.639  -3.832
  134    H    ARG  15           HN       ARG  15   6.753   6.477  -1.780
  135    HA   ARG  15           HA       ARG  15   8.372   8.898  -1.569
  136    HB2  ARG  15           HB2      ARG  15   5.596   8.870  -0.412
  137    HB3  ARG  15           HB1      ARG  15   6.431  10.175  -1.319
  138    HG2  ARG  15           HG2      ARG  15   5.648   9.454  -3.352
  139    HG3  ARG  15           HG1      ARG  15   5.786   7.711  -2.909
  140    HD2  ARG  15           HD2      ARG  15   3.388   8.382  -3.159
  141    HD3  ARG  15           HD1      ARG  15   3.776   7.897  -1.449
  142    HE   ARG  15           HE       ARG  15   3.498  10.178  -0.783
  143   HH11  ARG  15          HH11      ARG  15   3.448   9.834  -4.335
  144   HH12  ARG  15          HH12      ARG  15   2.864  11.437  -4.634
  145   HH21  ARG  15          HH21      ARG  15   2.701  12.351  -1.196
  146   HH22  ARG  15          HH22      ARG  15   2.434  12.891  -2.820
  147    H    LYS  16           HN       LYS  16   6.899   6.179  -0.057
  148    HA   LYS  16           HA       LYS  16   7.111   5.198   1.834
  149    HB2  LYS  16           HB2      LYS  16   9.052   7.453   2.397
  150    HB3  LYS  16           HB1      LYS  16   8.525   6.403   3.742
  151    HG2  LYS  16           HG2      LYS  16  10.283   5.082   3.154
  152    HG3  LYS  16           HG1      LYS  16   9.211   4.524   1.821
  153    HD2  LYS  16           HD2      LYS  16  10.179   6.170   0.271
  154    HD3  LYS  16           HD1      LYS  16  11.146   6.909   1.594
  155    HE2  LYS  16           HE2      LYS  16  12.446   4.774   1.852
  156    HE3  LYS  16           HE1      LYS  16  11.466   4.022   0.525
  157    HZ1  LYS  16           HZ1      LYS  16  13.253   4.782  -0.595
  158    HZ2  LYS  16           HZ2      LYS  16  13.503   6.131   0.406
  159    HZ3  LYS  16           HZ3      LYS  16  12.249   6.144  -0.739
  160    H    LYS  17           HN       LYS  17   5.405   7.794   1.182
  161    HA   LYS  17           HA       LYS  17   3.859   7.444   3.496
  162    HB2  LYS  17           HB2      LYS  17   3.915  10.204   3.727
  163    HB3  LYS  17           HB1      LYS  17   4.757   9.080   4.837
  164    HG2  LYS  17           HG2      LYS  17   6.330  10.796   4.189
  165    HG3  LYS  17           HG1      LYS  17   6.831   9.263   3.408
  166    HD2  LYS  17           HD2      LYS  17   7.000  11.338   1.938
  167    HD3  LYS  17           HD1      LYS  17   6.041   9.994   1.241
  168    HE2  LYS  17           HE2      LYS  17   3.956  11.125   1.621
  169    HE3  LYS  17           HE1      LYS  17   4.712  12.331   2.745
  170    HZ1  LYS  17           HZ1      LYS  17   6.106  12.944   0.728
  171    HZ2  LYS  17           HZ2      LYS  17   4.475  13.415   0.742
  172    HZ3  LYS  17           HZ3      LYS  17   4.966  12.085  -0.193
  Start of MODEL   13
    1    H1   GLU   1           HT1      GLU   1  -2.780  -9.421  -5.783
    2    H2   GLU   1           HT2      GLU   1  -1.893 -10.849  -6.028
    3    H3   GLU   1           HT3      GLU   1  -1.382  -9.399  -6.750
    4    HA   GLU   1           HA       GLU   1  -0.827 -10.439  -4.185
    5    HB2  GLU   1           HB2      GLU   1   0.135  -8.042  -5.842
    6    HB3  GLU   1           HB1      GLU   1   0.845  -8.452  -4.240
    7    HG2  GLU   1           HG2      GLU   1   1.622 -10.645  -5.062
    8    HG3  GLU   1           HG1      GLU   1   0.761 -10.409  -6.634
    9    H    MET   2           HN       MET   2  -2.023  -7.187  -5.315
   10    HA   MET   2           HA       MET   2  -3.378  -6.933  -2.779
   11    HB2  MET   2           HB2      MET   2  -1.013  -5.297  -3.560
   12    HB3  MET   2           HB1      MET   2  -2.442  -4.340  -3.047
   13    HG2  MET   2           HG2      MET   2  -0.597  -6.107  -1.457
   14    HG3  MET   2           HG1      MET   2  -1.385  -4.554  -1.040
   15    HE1  MET   2           HE1      MET   2  -3.810  -4.517  -1.567
   16    HE2  MET   2           HE2      MET   2  -4.618  -4.889  -0.007
   17    HE3  MET   2           HE3      MET   2  -4.968  -5.884  -1.465
   18    H    ARG   3           HN       ARG   3  -4.385  -4.478  -2.939
   19    HA   ARG   3           HA       ARG   3  -5.745  -4.545  -5.444
   20    HB2  ARG   3           HB2      ARG   3  -6.884  -5.372  -3.220
   21    HB3  ARG   3           HB1      ARG   3  -6.820  -3.613  -2.812
   22    HG2  ARG   3           HG2      ARG   3  -8.010  -4.390  -5.487
   23    HG3  ARG   3           HG1      ARG   3  -8.976  -4.737  -4.006
   24    HD2  ARG   3           HD2      ARG   3  -7.730  -2.054  -3.869
   25    HD3  ARG   3           HD1      ARG   3  -8.787  -2.228  -5.347
   26    HE   ARG   3           HE       ARG   3 -10.202  -3.326  -3.098
   27   HH11  ARG   3          HH11      ARG   3  -8.923  -0.242  -4.336
   28   HH12  ARG   3          HH12      ARG   3 -10.126   0.743  -3.573
   29   HH21  ARG   3          HH21      ARG   3 -11.842  -1.989  -2.059
   30   HH22  ARG   3          HH22      ARG   3 -11.815  -0.269  -2.256
   31    H    LEU   4           HN       LEU   4  -4.251  -3.010  -2.862
   32    HA   LEU   4           HA       LEU   4  -5.140  -0.430  -3.395
   33    HB2  LEU   4           HB2      LEU   4  -2.487  -0.601  -2.325
   34    HB3  LEU   4           HB1      LEU   4  -3.933   0.071  -1.560
   35    HG   LEU   4           HG       LEU   4  -3.338  -2.833  -1.724
   36   HD11  LEU   4          HD11      LEU   4  -1.974  -0.825  -0.260
   37   HD12  LEU   4          HD12      LEU   4  -1.760  -2.616  -0.211
   38   HD13  LEU   4          HD13      LEU   4  -2.918  -1.812   0.936
   39   HD21  LEU   4          HD21      LEU   4  -5.613  -2.752  -1.290
   40   HD22  LEU   4          HD22      LEU   4  -5.502  -1.163  -0.423
   41   HD23  LEU   4          HD23      LEU   4  -4.967  -2.680   0.401
   42    H    SER   5           HN       SER   5  -2.474  -2.393  -3.809
   43    HA   SER   5           HA       SER   5  -0.473  -1.182  -4.605
   44    HB2  SER   5           HB2      SER   5   0.327  -3.166  -5.033
   45    HB3  SER   5           HB1      SER   5  -1.347  -3.680  -4.537
   46    HG   SER   5           HG       SER   5  -0.478  -3.157  -7.220
   47    H    LYS   6           HN       LYS   6  -3.132  -0.659  -6.548
   48    HA   LYS   6           HA       LYS   6  -1.446   0.225  -8.732
   49    HB2  LYS   6           HB2      LYS   6  -4.350   1.017  -8.026
   50    HB3  LYS   6           HB1      LYS   6  -3.488   1.379  -9.562
   51    HG2  LYS   6           HG2      LYS   6  -4.247  -1.440  -8.571
   52    HG3  LYS   6           HG1      LYS   6  -5.165  -0.483  -9.785
   53    HD2  LYS   6           HD2      LYS   6  -3.125  -0.444 -11.264
   54    HD3  LYS   6           HD1      LYS   6  -2.248  -1.450 -10.059
   55    HE2  LYS   6           HE2      LYS   6  -3.933  -3.294 -10.367
   56    HE3  LYS   6           HE1      LYS   6  -4.807  -2.279 -11.590
   57    HZ1  LYS   6           HZ1      LYS   6  -2.152  -2.288 -12.337
   58    HZ2  LYS   6           HZ2      LYS   6  -3.445  -3.115 -13.062
   59    HZ3  LYS   6           HZ3      LYS   6  -2.496  -3.888 -11.885
   60    H    PHE   7           HN       PHE   7  -1.772   0.445  -5.485
   61    HA   PHE   7           HA       PHE   7  -2.140   3.206  -5.000
   62    HB2  PHE   7           HB2      PHE   7  -3.159   1.279  -3.935
   63    HB3  PHE   7           HB1      PHE   7  -1.649   0.836  -3.183
   64    HD1  PHE   7           HD1      PHE   7  -4.587   1.572  -2.437
   65    HD2  PHE   7           HD2      PHE   7  -0.798   3.384  -2.368
   66    HE1  PHE   7           HE1      PHE   7  -5.011   2.499  -0.275
   67    HE2  PHE   7           HE2      PHE   7  -1.056   4.341  -0.390
   68    HZ   PHE   7           HZ       PHE   7  -3.309   4.000   0.861
   69    H    PHE   8           HN       PHE   8  -0.192   0.607  -3.641
   70    HA   PHE   8           HA       PHE   8   1.214   2.680  -2.332
   71    HB2  PHE   8           HB2      PHE   8   2.617   0.555  -1.555
   72    HB3  PHE   8           HB1      PHE   8   1.071   0.926  -0.748
   73    HD1  PHE   8           HD1      PHE   8   3.058  -1.174  -2.201
   74    HD2  PHE   8           HD2      PHE   8  -0.902  -0.059  -1.689
   75    HE1  PHE   8           HE1      PHE   8   2.444  -3.293  -2.831
   76    HE2  PHE   8           HE2      PHE   8  -1.562  -2.234  -2.358
   77    HZ   PHE   8           HZ       PHE   8   0.112  -3.866  -2.887
   78    H    ARG   9           HN       ARG   9   1.128   0.134  -4.348
   79    HA   ARG   9           HA       ARG   9   3.803   0.064  -4.797
   80    HB2  ARG   9           HB2      ARG   9   1.302  -1.064  -5.781
   81    HB3  ARG   9           HB1      ARG   9   2.596  -0.950  -7.050
   82    HG2  ARG   9           HG2      ARG   9   3.104  -2.241  -4.328
   83    HG3  ARG   9           HG1      ARG   9   2.324  -3.175  -5.646
   84    HD2  ARG   9           HD2      ARG   9   5.035  -1.721  -5.935
   85    HD3  ARG   9           HD1      ARG   9   4.873  -3.473  -5.480
   86    HE   ARG   9           HE       ARG   9   4.378  -2.282  -8.149
   87   HH11  ARG   9          HH11      ARG   9   3.823  -4.997  -5.904
   88   HH12  ARG   9          HH12      ARG   9   3.477  -6.156  -7.146
   89   HH21  ARG   9          HH21      ARG   9   3.916  -3.859  -9.835
   90   HH22  ARG   9          HH22      ARG   9   3.537  -5.496  -9.417
   91    H    ASP  10           HN       ASP  10   1.456   2.136  -5.028
   92    HA   ASP  10           HA       ASP  10   2.670   3.189  -7.285
   93    HB2  ASP  10           HB2      ASP  10   0.492   2.202  -7.465
   94    HB3  ASP  10           HB1      ASP  10  -0.070   3.677  -6.596
   95    H    DPN  11           HN       DPN  11   2.303   3.671  -3.991
   96    HA   DPN  11           HA       DPN  11   2.021   6.525  -4.478
   97    HB2  DPN  11           HB1      DPN  11   4.527   6.258  -3.242
   98    HB3  DPN  11           HB2      DPN  11   4.188   6.970  -4.863
   99    HD1  DPN  11           HD1      DPN  11   4.529   5.521  -6.850
  100    HD2  DPN  11           HD2      DPN  11   4.933   4.439  -2.871
  101    HE1  DPN  11           HE1      DPN  11   4.921   3.165  -7.444
  102    HE2  DPN  11           HE2      DPN  11   5.308   2.256  -3.417
  103    HZ   DPN  11           HZ       DPN  11   5.214   1.687  -5.557
  104    H    ILE  12           HN       ILE  12   3.896   4.838  -2.042
  105    HA   ILE  12           HA       ILE  12   3.386   6.738  -0.118
  106    HB   ILE  12           HB       ILE  12   2.487   4.662   1.357
  107   HG12  ILE  12          HG12      ILE  12   0.652   3.620   0.073
  108   HG13  ILE  12          HG11      ILE  12   1.211   4.508  -1.406
  109   HG21  ILE  12          HG21      ILE  12   0.103   5.954   0.641
  110   HG22  ILE  12          HG22      ILE  12   1.344   7.179   0.182
  111   HG23  ILE  12          HG23      ILE  12   1.267   6.563   1.877
  112   HD11  ILE  12          HD11      ILE  12   3.414   3.344  -0.076
  113   HD12  ILE  12          HD12      ILE  12   2.848   3.127  -1.747
  114   HD13  ILE  12          HD13      ILE  12   2.207   2.131  -0.365
  115    H    LEU  13           HN       LEU  13   4.934   4.296  -1.711
  116    HA   LEU  13           HA       LEU  13   6.635   3.506   0.538
  117    HB2  LEU  13           HB2      LEU  13   6.661   2.433  -2.298
  118    HB3  LEU  13           HB1      LEU  13   7.187   1.590  -0.796
  119    HG   LEU  13           HG       LEU  13   4.421   2.417  -1.596
  120   HD11  LEU  13          HD11      LEU  13   6.053   0.106  -2.256
  121   HD12  LEU  13          HD12      LEU  13   4.437   0.604  -2.878
  122   HD13  LEU  13          HD13      LEU  13   4.562  -0.407  -1.371
  123   HD21  LEU  13          HD21      LEU  13   4.780   2.598   0.824
  124   HD22  LEU  13          HD22      LEU  13   5.432   0.898   0.882
  125   HD23  LEU  13          HD23      LEU  13   3.698   1.183   0.459
  126    H    GLN  14           HN       GLN  14   6.637   4.399  -2.938
  127    HA   GLN  14           HA       GLN  14   9.467   4.701  -2.995
  128    HB2  GLN  14           HB2      GLN  14   7.476   6.279  -4.699
  129    HB3  GLN  14           HB1      GLN  14   9.203   5.958  -5.094
  130    HG2  GLN  14           HG2      GLN  14   6.868   4.064  -5.014
  131    HG3  GLN  14           HG1      GLN  14   7.913   4.448  -6.425
  132   HE21  GLN  14          HE21      GLN  14   7.262   2.464  -3.801
  133   HE22  GLN  14          HE22      GLN  14   8.713   1.500  -3.768
  134    H    ARG  15           HN       ARG  15   6.799   6.377  -1.770
  135    HA   ARG  15           HA       ARG  15   8.449   8.781  -1.596
  136    HB2  ARG  15           HB2      ARG  15   5.668   8.822  -0.469
  137    HB3  ARG  15           HB1      ARG  15   6.530  10.090  -1.402
  138    HG2  ARG  15           HG2      ARG  15   5.747   9.333  -3.421
  139    HG3  ARG  15           HG1      ARG  15   5.840   7.601  -2.932
  140    HD2  ARG  15           HD2      ARG  15   3.462   8.273  -3.201
  141    HD3  ARG  15           HD1      ARG  15   3.828   7.910  -1.456
  142    HE   ARG  15           HE       ARG  15   3.573  10.240  -0.963
  143   HH11  ARG  15          HH11      ARG  15   3.556   9.631  -4.482
  144   HH12  ARG  15          HH12      ARG  15   3.015  11.220  -4.907
  145   HH21  ARG  15          HH21      ARG  15   2.839  12.393  -1.549
  146   HH22  ARG  15          HH22      ARG  15   2.602  12.816  -3.213
  147    H    LYS  16           HN       LYS  16   6.863   6.129  -0.023
  148    HA   LYS  16           HA       LYS  16   7.009   5.216   1.911
  149    HB2  LYS  16           HB2      LYS  16   8.831   7.519   2.696
  150    HB3  LYS  16           HB1      LYS  16   8.456   6.139   3.770
  151    HG2  LYS  16           HG2      LYS  16   9.847   5.924   1.032
  152    HG3  LYS  16           HG1      LYS  16  10.689   5.935   2.621
  153    HD2  LYS  16           HD2      LYS  16   9.342   3.885   3.287
  154    HD3  LYS  16           HD1      LYS  16   8.639   3.856   1.634
  155    HE2  LYS  16           HE2      LYS  16  10.519   2.246   1.762
  156    HE3  LYS  16           HE1      LYS  16  11.003   3.625   0.689
  157    HZ1  LYS  16           HZ1      LYS  16  11.635   4.144   3.413
  158    HZ2  LYS  16           HZ2      LYS  16  12.638   4.105   2.043
  159    HZ3  LYS  16           HZ3      LYS  16  12.317   2.676   2.903
  160    H    LYS  17           HN       LYS  17   5.365   7.769   1.104
  161    HA   LYS  17           HA       LYS  17   3.697   7.575   3.310
  162    HB2  LYS  17           HB2      LYS  17   3.845  10.142   3.915
  163    HB3  LYS  17           HB1      LYS  17   4.985   8.997   4.693
  164    HG2  LYS  17           HG2      LYS  17   6.524  10.569   4.048
  165    HG3  LYS  17           HG1      LYS  17   6.494   9.619   2.528
  166    HD2  LYS  17           HD2      LYS  17   4.458  11.341   1.961
  167    HD3  LYS  17           HD1      LYS  17   5.360  12.367   3.129
  168    HE2  LYS  17           HE2      LYS  17   6.587  11.038   0.619
  169    HE3  LYS  17           HE1      LYS  17   6.086  12.777   0.753
  170    HZ1  LYS  17           HZ1      LYS  17   8.398  11.400   1.811
  171    HZ2  LYS  17           HZ2      LYS  17   7.649  12.463   2.905
  172    HZ3  LYS  17           HZ3      LYS  17   8.175  13.031   1.393
  Start of MODEL   14
    1    H1   GLU   1           HT1      GLU   1   0.312 -10.082  -5.102
    2    H2   GLU   1           HT2      GLU   1  -0.189 -10.851  -3.673
    3    H3   GLU   1           HT3      GLU   1  -0.059  -9.159  -3.725
    4    HA   GLU   1           HA       GLU   1  -1.725  -9.659  -5.762
    5    HB2  GLU   1           HB2      GLU   1  -2.457 -11.483  -3.395
    6    HB3  GLU   1           HB1      GLU   1  -3.501 -11.172  -4.826
    7    HG2  GLU   1           HG2      GLU   1  -0.727 -12.550  -4.894
    8    HG3  GLU   1           HG1      GLU   1  -2.329 -13.378  -5.020
    9    H    MET   2           HN       MET   2  -1.360  -7.335  -4.835
   10    HA   MET   2           HA       MET   2  -3.264  -6.868  -2.663
   11    HB2  MET   2           HB2      MET   2  -0.851  -5.386  -3.676
   12    HB3  MET   2           HB1      MET   2  -2.226  -4.387  -3.091
   13    HG2  MET   2           HG2      MET   2  -0.282  -6.101  -1.575
   14    HG3  MET   2           HG1      MET   2  -1.066  -4.548  -1.149
   15    HE1  MET   2           HE1      MET   2  -4.112  -4.776   0.087
   16    HE2  MET   2           HE2      MET   2  -4.701  -5.936  -1.153
   17    HE3  MET   2           HE3      MET   2  -3.563  -4.633  -1.617
   18    H    ARG   3           HN       ARG   3  -4.246  -4.553  -2.928
   19    HA   ARG   3           HA       ARG   3  -5.530  -4.618  -5.499
   20    HB2  ARG   3           HB2      ARG   3  -6.491  -4.368  -2.692
   21    HB3  ARG   3           HB1      ARG   3  -7.459  -3.612  -4.010
   22    HG2  ARG   3           HG2      ARG   3  -8.505  -5.723  -3.681
   23    HG3  ARG   3           HG1      ARG   3  -7.430  -6.014  -5.097
   24    HD2  ARG   3           HD2      ARG   3  -6.148  -7.537  -3.942
   25    HD3  ARG   3           HD1      ARG   3  -6.045  -6.452  -2.480
   26    HE   ARG   3           HE       ARG   3  -8.687  -7.400  -2.483
   27   HH11  ARG   3          HH11      ARG   3  -5.422  -8.832  -2.560
   28   HH12  ARG   3          HH12      ARG   3  -5.863 -10.261  -1.684
   29   HH21  ARG   3          HH21      ARG   3  -9.283  -9.345  -1.293
   30   HH22  ARG   3          HH22      ARG   3  -8.094 -10.555  -0.953
   31    H    LEU   4           HN       LEU   4  -4.059  -3.117  -2.916
   32    HA   LEU   4           HA       LEU   4  -5.039  -0.537  -3.390
   33    HB2  LEU   4           HB2      LEU   4  -2.376  -0.655  -2.338
   34    HB3  LEU   4           HB1      LEU   4  -3.835  -0.030  -1.556
   35    HG   LEU   4           HG       LEU   4  -3.167  -2.915  -1.766
   36   HD11  LEU   4          HD11      LEU   4  -1.847  -0.898  -0.282
   37   HD12  LEU   4          HD12      LEU   4  -1.596  -2.685  -0.252
   38   HD13  LEU   4          HD13      LEU   4  -2.767  -1.918   0.907
   39   HD21  LEU   4          HD21      LEU   4  -5.418  -2.964  -1.298
   40   HD22  LEU   4          HD22      LEU   4  -5.400  -1.329  -0.514
   41   HD23  LEU   4          HD23      LEU   4  -4.798  -2.770   0.396
   42    H    SER   5           HN       SER   5  -2.336  -2.426  -3.848
   43    HA   SER   5           HA       SER   5  -0.365  -1.174  -4.645
   44    HB2  SER   5           HB2      SER   5   0.458  -3.143  -5.103
   45    HB3  SER   5           HB1      SER   5  -1.207  -3.689  -4.606
   46    HG   SER   5           HG       SER   5  -0.364  -3.107  -7.287
   47    H    LYS   6           HN       LYS   6  -3.057  -0.683  -6.568
   48    HA   LYS   6           HA       LYS   6  -1.415   0.269  -8.753
   49    HB2  LYS   6           HB2      LYS   6  -4.336   0.900  -7.958
   50    HB3  LYS   6           HB1      LYS   6  -3.521   1.441  -9.467
   51    HG2  LYS   6           HG2      LYS   6  -3.399  -0.829 -10.327
   52    HG3  LYS   6           HG1      LYS   6  -3.909  -1.524  -8.750
   53    HD2  LYS   6           HD2      LYS   6  -5.815  -1.591 -10.247
   54    HD3  LYS   6           HD1      LYS   6  -6.130  -0.337  -8.998
   55    HE2  LYS   6           HE2      LYS   6  -5.518   1.468 -10.610
   56    HE3  LYS   6           HE1      LYS   6  -5.103   0.226 -11.866
   57    HZ1  LYS   6           HZ1      LYS   6  -7.482   1.387 -11.590
   58    HZ2  LYS   6           HZ2      LYS   6  -7.736  -0.018 -10.671
   59    HZ3  LYS   6           HZ3      LYS   6  -7.236  -0.141 -12.289
   60    H    PHE   7           HN       PHE   7  -1.702   0.440  -5.495
   61    HA   PHE   7           HA       PHE   7  -2.120   3.186  -4.967
   62    HB2  PHE   7           HB2      PHE   7  -3.092   1.224  -3.924
   63    HB3  PHE   7           HB1      PHE   7  -1.569   0.800  -3.190
   64    HD1  PHE   7           HD1      PHE   7  -4.515   1.474  -2.419
   65    HD2  PHE   7           HD2      PHE   7  -0.757   3.347  -2.343
   66    HE1  PHE   7           HE1      PHE   7  -4.944   2.364  -0.240
   67    HE2  PHE   7           HE2      PHE   7  -1.020   4.272  -0.350
   68    HZ   PHE   7           HZ       PHE   7  -3.259   3.877   0.908
   69    H    PHE   8           HN       PHE   8  -0.111   0.606  -3.662
   70    HA   PHE   8           HA       PHE   8   1.266   2.686  -2.335
   71    HB2  PHE   8           HB2      PHE   8   2.716   0.575  -1.603
   72    HB3  PHE   8           HB1      PHE   8   1.174   0.907  -0.774
   73    HD1  PHE   8           HD1      PHE   8   3.182  -1.136  -2.278
   74    HD2  PHE   8           HD2      PHE   8  -0.792  -0.100  -1.708
   75    HE1  PHE   8           HE1      PHE   8   2.599  -3.256  -2.933
   76    HE2  PHE   8           HE2      PHE   8  -1.420  -2.275  -2.403
   77    HZ   PHE   8           HZ       PHE   8   0.277  -3.871  -2.975
   78    H    ARG   9           HN       ARG   9   1.219   0.158  -4.378
   79    HA   ARG   9           HA       ARG   9   3.887   0.153  -4.861
   80    HB2  ARG   9           HB2      ARG   9   1.401  -1.008  -5.840
   81    HB3  ARG   9           HB1      ARG   9   2.673  -0.838  -7.124
   82    HG2  ARG   9           HG2      ARG   9   3.199  -2.201  -4.435
   83    HG3  ARG   9           HG1      ARG   9   2.491  -3.105  -5.812
   84    HD2  ARG   9           HD2      ARG   9   5.174  -1.568  -5.902
   85    HD3  ARG   9           HD1      ARG   9   5.018  -3.359  -5.637
   86    HE   ARG   9           HE       ARG   9   4.594  -1.897  -8.186
   87   HH11  ARG   9          HH11      ARG   9   4.054  -4.856  -6.268
   88   HH12  ARG   9          HH12      ARG   9   3.784  -5.878  -7.640
   89   HH21  ARG   9          HH21      ARG   9   4.225  -3.289 -10.044
   90   HH22  ARG   9          HH22      ARG   9   3.883  -4.972  -9.821
   91    H    ASP  10           HN       ASP  10   1.499   2.184  -5.040
   92    HA   ASP  10           HA       ASP  10   2.661   3.293  -7.297
   93    HB2  ASP  10           HB2      ASP  10   0.474   2.245  -7.380
   94    HB3  ASP  10           HB1      ASP  10  -0.072   3.771  -6.593
   95    H    DPN  11           HN       DPN  11   2.321   3.720  -3.990
   96    HA   DPN  11           HA       DPN  11   1.980   6.576  -4.430
   97    HB2  DPN  11           HB1      DPN  11   4.501   6.339  -3.219
   98    HB3  DPN  11           HB2      DPN  11   4.134   7.070  -4.827
   99    HD1  DPN  11           HD1      DPN  11   4.483   5.657  -6.837
  100    HD2  DPN  11           HD2      DPN  11   4.946   4.525  -2.880
  101    HE1  DPN  11           HE1      DPN  11   4.915   3.318  -7.470
  102    HE2  DPN  11           HE2      DPN  11   5.360   2.358  -3.461
  103    HZ   DPN  11           HZ       DPN  11   5.255   1.818  -5.608
  104    H    ILE  12           HN       ILE  12   3.907   4.890  -2.036
  105    HA   ILE  12           HA       ILE  12   3.379   6.749  -0.079
  106    HB   ILE  12           HB       ILE  12   2.529   4.638   1.372
  107   HG12  ILE  12          HG12      ILE  12   0.706   3.578   0.088
  108   HG13  ILE  12          HG11      ILE  12   1.234   4.498  -1.382
  109   HG21  ILE  12          HG21      ILE  12   1.276   6.505   1.929
  110   HG22  ILE  12          HG22      ILE  12   0.117   5.898   0.686
  111   HG23  ILE  12          HG23      ILE  12   1.335   7.152   0.244
  112   HD11  ILE  12          HD11      ILE  12   2.898   3.161  -1.758
  113   HD12  ILE  12          HD12      ILE  12   2.292   2.127  -0.384
  114   HD13  ILE  12          HD13      ILE  12   3.469   3.353  -0.086
  115    H    LEU  13           HN       LEU  13   4.959   4.362  -1.723
  116    HA   LEU  13           HA       LEU  13   6.692   3.569   0.502
  117    HB2  LEU  13           HB2      LEU  13   6.716   2.542  -2.352
  118    HB3  LEU  13           HB1      LEU  13   7.270   1.686  -0.868
  119    HG   LEU  13           HG       LEU  13   4.482   2.472  -1.631
  120   HD11  LEU  13          HD11      LEU  13   4.681  -0.353  -1.456
  121   HD12  LEU  13          HD12      LEU  13   6.154   0.205  -2.344
  122   HD13  LEU  13          HD13      LEU  13   4.523   0.678  -2.941
  123   HD21  LEU  13          HD21      LEU  13   4.858   2.619   0.788
  124   HD22  LEU  13          HD22      LEU  13   5.544   0.933   0.813
  125   HD23  LEU  13          HD23      LEU  13   3.801   1.189   0.409
  126    H    GLN  14           HN       GLN  14   6.649   4.518  -2.959
  127    HA   GLN  14           HA       GLN  14   9.472   4.875  -3.035
  128    HB2  GLN  14           HB2      GLN  14   7.435   6.440  -4.696
  129    HB3  GLN  14           HB1      GLN  14   9.165   6.162  -5.110
  130    HG2  GLN  14           HG2      GLN  14   6.868   4.220  -5.045
  131    HG3  GLN  14           HG1      GLN  14   7.896   4.648  -6.456
  132   HE21  GLN  14          HE21      GLN  14   7.301   2.609  -3.860
  133   HE22  GLN  14          HE22      GLN  14   8.770   1.672  -3.852
  134    H    ARG  15           HN       ARG  15   6.781   6.478  -1.762
  135    HA   ARG  15           HA       ARG  15   8.386   8.910  -1.559
  136    HB2  ARG  15           HB2      ARG  15   5.614   8.878  -0.412
  137    HB3  ARG  15           HB1      ARG  15   6.443  10.179  -1.327
  138    HG2  ARG  15           HG2      ARG  15   5.661   9.443  -3.355
  139    HG3  ARG  15           HG1      ARG  15   5.791   7.704  -2.898
  140    HD2  ARG  15           HD2      ARG  15   3.400   8.324  -3.137
  141    HD3  ARG  15           HD1      ARG  15   3.785   7.952  -1.398
  142    HE   ARG  15           HE       ARG  15   3.475  10.268  -0.880
  143   HH11  ARG  15          HH11      ARG  15   3.471   9.700  -4.406
  144   HH12  ARG  15          HH12      ARG  15   2.885  11.278  -4.812
  145   HH21  ARG  15          HH21      ARG  15   2.680  12.408  -1.442
  146   HH22  ARG  15          HH22      ARG  15   2.429  12.842  -3.099
  147    H    LYS  16           HN       LYS  16   6.865   6.201  -0.020
  148    HA   LYS  16           HA       LYS  16   7.042   5.260   1.899
  149    HB2  LYS  16           HB2      LYS  16   8.844   7.579   2.682
  150    HB3  LYS  16           HB1      LYS  16   8.474   6.213   3.774
  151    HG2  LYS  16           HG2      LYS  16   9.871   5.980   1.041
  152    HG3  LYS  16           HG1      LYS  16  10.703   5.985   2.635
  153    HD2  LYS  16           HD2      LYS  16   9.256   3.954   3.275
  154    HD3  LYS  16           HD1      LYS  16   8.701   3.902   1.567
  155    HE2  LYS  16           HE2      LYS  16  11.663   3.715   2.455
  156    HE3  LYS  16           HE1      LYS  16  10.612   2.303   2.021
  157    HZ1  LYS  16           HZ1      LYS  16  11.342   2.669  -0.007
  158    HZ2  LYS  16           HZ2      LYS  16  11.936   4.221   0.345
  159    HZ3  LYS  16           HZ3      LYS  16  10.295   4.010  -0.061
  160    H    LYS  17           HN       LYS  17   5.358   7.816   1.148
  161    HA   LYS  17           HA       LYS  17   3.698   7.538   3.355
  162    HB2  LYS  17           HB2      LYS  17   3.809  10.104   4.004
  163    HB3  LYS  17           HB1      LYS  17   4.951   8.953   4.771
  164    HG2  LYS  17           HG2      LYS  17   6.478  10.556   4.165
  165    HG3  LYS  17           HG1      LYS  17   6.479   9.620   2.636
  166    HD2  LYS  17           HD2      LYS  17   4.463  11.306   2.007
  167    HD3  LYS  17           HD1      LYS  17   5.250  12.332   3.257
  168    HE2  LYS  17           HE2      LYS  17   7.430  12.181   2.012
  169    HE3  LYS  17           HE1      LYS  17   6.629  11.145   0.755
  170    HZ1  LYS  17           HZ1      LYS  17   5.247  13.612   1.339
  171    HZ2  LYS  17           HZ2      LYS  17   5.670  12.902  -0.146
  172    HZ3  LYS  17           HZ3      LYS  17   6.810  13.826   0.709
  Start of MODEL   15
    1    H1   GLU   1           HT1      GLU   1  -1.044  -9.369  -6.586
    2    H2   GLU   1           HT2      GLU   1  -2.673  -9.251  -6.117
    3    H3   GLU   1           HT3      GLU   1  -1.980 -10.774  -6.408
    4    HA   GLU   1           HA       GLU   1  -1.695 -10.879  -4.243
    5    HB2  GLU   1           HB2      GLU   1   0.402  -8.706  -4.831
    6    HB3  GLU   1           HB1      GLU   1   0.410  -9.795  -3.400
    7    HG2  GLU   1           HG2      GLU   1   0.675 -10.706  -6.349
    8    HG3  GLU   1           HG1      GLU   1   2.022 -10.580  -5.150
    9    H    MET   2           HN       MET   2  -1.755  -7.395  -5.228
   10    HA   MET   2           HA       MET   2  -3.319  -6.924  -2.797
   11    HB2  MET   2           HB2      MET   2  -0.906  -5.429  -3.796
   12    HB3  MET   2           HB1      MET   2  -2.280  -4.437  -3.199
   13    HG2  MET   2           HG2      MET   2  -0.333  -6.165  -1.704
   14    HG3  MET   2           HG1      MET   2  -1.114  -4.617  -1.262
   15    HE1  MET   2           HE1      MET   2  -4.146  -4.840  -0.021
   16    HE2  MET   2           HE2      MET   2  -4.759  -6.003  -1.247
   17    HE3  MET   2           HE3      MET   2  -3.621  -4.705  -1.733
   18    H    ARG   3           HN       ARG   3  -4.299  -4.604  -3.038
   19    HA   ARG   3           HA       ARG   3  -5.583  -4.643  -5.609
   20    HB2  ARG   3           HB2      ARG   3  -6.548  -4.416  -2.799
   21    HB3  ARG   3           HB1      ARG   3  -7.527  -3.684  -4.124
   22    HG2  ARG   3           HG2      ARG   3  -8.563  -5.785  -3.926
   23    HG3  ARG   3           HG1      ARG   3  -7.327  -6.150  -5.183
   24    HD2  ARG   3           HD2      ARG   3  -6.625  -7.848  -3.787
   25    HD3  ARG   3           HD1      ARG   3  -5.926  -6.527  -2.740
   26    HE   ARG   3           HE       ARG   3  -8.732  -6.837  -2.129
   27   HH11  ARG   3          HH11      ARG   3  -5.591  -8.500  -1.873
   28   HH12  ARG   3          HH12      ARG   3  -5.986  -9.355  -0.420
   29   HH21  ARG   3          HH21      ARG   3  -9.272  -8.001  -0.151
   30   HH22  ARG   3          HH22      ARG   3  -8.115  -9.066   0.575
   31    H    LEU   4           HN       LEU   4  -4.112  -3.169  -3.011
   32    HA   LEU   4           HA       LEU   4  -5.109  -0.590  -3.445
   33    HB2  LEU   4           HB2      LEU   4  -2.446  -0.714  -2.391
   34    HB3  LEU   4           HB1      LEU   4  -3.908  -0.106  -1.603
   35    HG   LEU   4           HG       LEU   4  -3.228  -2.985  -1.854
   36   HD11  LEU   4          HD11      LEU   4  -2.838  -2.041   0.835
   37   HD12  LEU   4          HD12      LEU   4  -1.929  -0.981  -0.330
   38   HD13  LEU   4          HD13      LEU   4  -1.658  -2.765  -0.340
   39   HD21  LEU   4          HD21      LEU   4  -4.865  -2.861   0.314
   40   HD22  LEU   4          HD22      LEU   4  -5.473  -3.069  -1.383
   41   HD23  LEU   4          HD23      LEU   4  -5.481  -1.431  -0.606
   42    H    SER   5           HN       SER   5  -2.398  -2.462  -3.927
   43    HA   SER   5           HA       SER   5  -0.429  -1.194  -4.703
   44    HB2  SER   5           HB2      SER   5   0.398  -3.153  -5.197
   45    HB3  SER   5           HB1      SER   5  -1.265  -3.710  -4.701
   46    HG   SER   5           HG       SER   5  -0.417  -3.098  -7.374
   47    H    LYS   6           HN       LYS   6  -3.122  -0.683  -6.630
   48    HA   LYS   6           HA       LYS   6  -1.480   0.307  -8.793
   49    HB2  LYS   6           HB2      LYS   6  -4.399   0.904  -7.965
   50    HB3  LYS   6           HB1      LYS   6  -3.599   1.491  -9.467
   51    HG2  LYS   6           HG2      LYS   6  -3.385  -0.824 -10.310
   52    HG3  LYS   6           HG1      LYS   6  -4.071  -1.475  -8.781
   53    HD2  LYS   6           HD2      LYS   6  -6.209  -0.303  -9.215
   54    HD3  LYS   6           HD1      LYS   6  -5.537   0.415 -10.720
   55    HE2  LYS   6           HE2      LYS   6  -6.959  -1.546 -11.280
   56    HE3  LYS   6           HE1      LYS   6  -5.229  -1.937 -11.654
   57    HZ1  LYS   6           HZ1      LYS   6  -6.916  -3.398 -10.129
   58    HZ2  LYS   6           HZ2      LYS   6  -6.000  -2.575  -8.960
   59    HZ3  LYS   6           HZ3      LYS   6  -5.222  -3.517 -10.140
   60    H    PHE   7           HN       PHE   7  -1.771   0.430  -5.529
   61    HA   PHE   7           HA       PHE   7  -2.197   3.166  -4.961
   62    HB2  PHE   7           HB2      PHE   7  -3.163   1.185  -3.949
   63    HB3  PHE   7           HB1      PHE   7  -1.640   0.754  -3.218
   64    HD1  PHE   7           HD1      PHE   7  -4.592   1.411  -2.443
   65    HD2  PHE   7           HD2      PHE   7  -0.837   3.286  -2.327
   66    HE1  PHE   7           HE1      PHE   7  -5.027   2.262  -0.251
   67    HE2  PHE   7           HE2      PHE   7  -1.104   4.175  -0.319
   68    HZ   PHE   7           HZ       PHE   7  -3.347   3.756   0.927
   69    H    PHE   8           HN       PHE   8  -0.183   0.573  -3.692
   70    HA   PHE   8           HA       PHE   8   1.191   2.637  -2.334
   71    HB2  PHE   8           HB2      PHE   8   2.639   0.517  -1.630
   72    HB3  PHE   8           HB1      PHE   8   1.096   0.836  -0.798
   73    HD1  PHE   8           HD1      PHE   8   3.109  -1.172  -2.354
   74    HD2  PHE   8           HD2      PHE   8  -0.867  -0.170  -1.737
   75    HE1  PHE   8           HE1      PHE   8   2.538  -3.279  -3.049
   76    HE2  PHE   8           HE2      PHE   8  -1.485  -2.337  -2.474
   77    HZ   PHE   8           HZ       PHE   8   0.218  -3.909  -3.088
   78    H    ARG   9           HN       ARG   9   1.143   0.154  -4.430
   79    HA   ARG   9           HA       ARG   9   3.816   0.160  -4.889
   80    HB2  ARG   9           HB2      ARG   9   1.338  -0.997  -5.895
   81    HB3  ARG   9           HB1      ARG   9   2.621  -0.813  -7.166
   82    HG2  ARG   9           HG2      ARG   9   3.230  -2.152  -4.494
   83    HG3  ARG   9           HG1      ARG   9   2.387  -3.079  -5.779
   84    HD2  ARG   9           HD2      ARG   9   5.024  -1.575  -6.299
   85    HD3  ARG   9           HD1      ARG   9   4.984  -3.290  -5.693
   86    HE   ARG   9           HE       ARG   9   3.244  -3.157  -7.950
   87   HH11  ARG   9          HH11      ARG   9   6.677  -2.683  -7.127
   88   HH12  ARG   9          HH12      ARG   9   7.276  -3.175  -8.675
   89   HH21  ARG   9          HH21      ARG   9   4.058  -3.827 -10.056
   90   HH22  ARG   9          HH22      ARG   9   5.760  -3.836 -10.370
   91    H    ASP  10           HN       ASP  10   1.422   2.184  -5.040
   92    HA   ASP  10           HA       ASP  10   2.594   3.332  -7.271
   93    HB2  ASP  10           HB2      ASP  10   0.438   2.302  -7.469
   94    HB3  ASP  10           HB1      ASP  10  -0.152   3.736  -6.554
   95    H    DPN  11           HN       DPN  11   2.241   3.708  -3.963
   96    HA   DPN  11           HA       DPN  11   1.885   6.570  -4.364
   97    HB2  DPN  11           HB1      DPN  11   4.405   6.327  -3.148
   98    HB3  DPN  11           HB2      DPN  11   4.041   7.079  -4.743
   99    HD1  DPN  11           HD1      DPN  11   4.397   5.696  -6.776
  100    HD2  DPN  11           HD2      DPN  11   4.863   4.506  -2.832
  101    HE1  DPN  11           HE1      DPN  11   4.839   3.368  -7.445
  102    HE2  DPN  11           HE2      DPN  11   5.285   2.347  -3.447
  103    HZ   DPN  11           HZ       DPN  11   5.182   1.838  -5.608
  104    H    ILE  12           HN       ILE  12   3.827   4.872  -2.006
  105    HA   ILE  12           HA       ILE  12   3.243   6.677  -0.006
  106    HB   ILE  12           HB       ILE  12   2.424   4.525   1.401
  107   HG12  ILE  12          HG12      ILE  12   0.632   3.453   0.087
  108   HG13  ILE  12          HG11      ILE  12   1.152   4.408  -1.364
  109   HG21  ILE  12          HG21      ILE  12   0.035   5.863   0.416
  110   HG22  ILE  12          HG22      ILE  12   1.346   7.092   0.525
  111   HG23  ILE  12          HG23      ILE  12   0.887   6.130   1.983
  112   HD11  ILE  12          HD11      ILE  12   2.254   2.043  -0.407
  113   HD12  ILE  12          HD12      ILE  12   3.398   3.295  -0.064
  114   HD13  ILE  12          HD13      ILE  12   2.834   3.103  -1.749
  115    H    LEU  13           HN       LEU  13   4.847   4.282  -1.672
  116    HA   LEU  13           HA       LEU  13   6.609   3.501   0.531
  117    HB2  LEU  13           HB2      LEU  13   6.633   2.494  -2.327
  118    HB3  LEU  13           HB1      LEU  13   7.190   1.631  -0.847
  119    HG   LEU  13           HG       LEU  13   4.409   2.422  -1.607
  120   HD11  LEU  13          HD11      LEU  13   6.076   0.135  -2.304
  121   HD12  LEU  13          HD12      LEU  13   4.477   0.657  -2.953
  122   HD13  LEU  13          HD13      LEU  13   4.563  -0.390  -1.468
  123   HD21  LEU  13          HD21      LEU  13   5.472   0.873   0.832
  124   HD22  LEU  13          HD22      LEU  13   3.729   1.124   0.431
  125   HD23  LEU  13          HD23      LEU  13   4.787   2.558   0.819
  126    H    GLN  14           HN       GLN  14   6.576   4.473  -2.933
  127    HA   GLN  14           HA       GLN  14   9.405   4.759  -3.010
  128    HB2  GLN  14           HB2      GLN  14   7.419   6.415  -4.644
  129    HB3  GLN  14           HB1      GLN  14   9.139   6.087  -5.063
  130    HG2  GLN  14           HG2      GLN  14   6.789   4.212  -5.015
  131    HG3  GLN  14           HG1      GLN  14   7.809   4.639  -6.430
  132   HE21  GLN  14          HE21      GLN  14   7.202   2.568  -3.858
  133   HE22  GLN  14          HE22      GLN  14   8.648   1.598  -3.888
  134    H    ARG  15           HN       ARG  15   6.783   6.395  -1.688
  135    HA   ARG  15           HA       ARG  15   8.417   8.799  -1.475
  136    HB2  ARG  15           HB2      ARG  15   5.674   8.757  -0.225
  137    HB3  ARG  15           HB1      ARG  15   6.484  10.072  -1.143
  138    HG2  ARG  15           HG2      ARG  15   5.643   9.374  -3.163
  139    HG3  ARG  15           HG1      ARG  15   5.750   7.628  -2.726
  140    HD2  ARG  15           HD2      ARG  15   3.356   8.424  -2.917
  141    HD3  ARG  15           HD1      ARG  15   3.780   7.812  -1.260
  142    HE   ARG  15           HE       ARG  15   3.534  10.024  -0.419
  143   HH11  ARG  15          HH11      ARG  15   3.598  10.002  -3.991
  144   HH12  ARG  15          HH12      ARG  15   3.125  11.658  -4.159
  145   HH21  ARG  15          HH21      ARG  15   2.892  12.273  -0.660
  146   HH22  ARG  15          HH22      ARG  15   2.718  12.970  -2.236
  147    H    LYS  16           HN       LYS  16   6.882   6.076   0.124
  148    HA   LYS  16           HA       LYS  16   6.869   5.268   2.150
  149    HB2  LYS  16           HB2      LYS  16   9.130   7.247   2.669
  150    HB3  LYS  16           HB1      LYS  16   8.608   6.007   3.846
  151    HG2  LYS  16           HG2      LYS  16   9.825   5.476   1.070
  152    HG3  LYS  16           HG1      LYS  16  10.686   5.345   2.638
  153    HD2  LYS  16           HD2      LYS  16   8.908   3.607   3.338
  154    HD3  LYS  16           HD1      LYS  16   8.341   3.625   1.634
  155    HE2  LYS  16           HE2      LYS  16  11.227   2.941   2.523
  156    HE3  LYS  16           HE1      LYS  16   9.948   1.732   2.085
  157    HZ1  LYS  16           HZ1      LYS  16  11.632   3.308   0.416
  158    HZ2  LYS  16           HZ2      LYS  16   9.992   3.535   0.019
  159    HZ3  LYS  16           HZ3      LYS  16  10.658   1.968   0.040
  160    H    LYS  17           HN       LYS  17   5.456   7.625   1.234
  161    HA   LYS  17           HA       LYS  17   4.211   9.283   1.873
  162    HB2  LYS  17           HB2      LYS  17   3.939   7.282   4.009
  163    HB3  LYS  17           HB1      LYS  17   3.723   8.943   4.671
  164    HG2  LYS  17           HG2      LYS  17   2.211   7.657   2.340
  165    HG3  LYS  17           HG1      LYS  17   1.549   8.098   3.953
  166    HD2  LYS  17           HD2      LYS  17   1.031  10.165   3.169
  167    HD3  LYS  17           HD1      LYS  17   2.767  10.473   2.828
  168    HE2  LYS  17           HE2      LYS  17   1.791  10.791   0.702
  169    HE3  LYS  17           HE1      LYS  17   2.305   9.053   0.609
  170    HZ1  LYS  17           HZ1      LYS  17  -0.104   8.774   1.638
  171    HZ2  LYS  17           HZ2      LYS  17   0.184   8.862  -0.034
  172    HZ3  LYS  17           HZ3      LYS  17  -0.360  10.232   0.809
  Start of MODEL   16
    1    H1   GLU   1           HT1      GLU   1   0.497  -9.626  -3.421
    2    H2   GLU   1           HT2      GLU   1   0.830  -8.782  -4.858
    3    H3   GLU   1           HT3      GLU   1   0.826 -10.480  -4.853
    4    HA   GLU   1           HA       GLU   1  -1.169  -9.304  -5.814
    5    HB2  GLU   1           HB2      GLU   1  -1.055 -11.756  -5.223
    6    HB3  GLU   1           HB1      GLU   1  -1.557 -11.344  -3.545
    7    HG2  GLU   1           HG2      GLU   1  -3.752 -10.477  -4.384
    8    HG3  GLU   1           HG1      GLU   1  -3.254 -10.830  -6.085
    9    H    MET   2           HN       MET   2  -1.859  -7.201  -5.336
   10    HA   MET   2           HA       MET   2  -3.352  -6.994  -2.850
   11    HB2  MET   2           HB2      MET   2  -0.989  -5.344  -3.623
   12    HB3  MET   2           HB1      MET   2  -2.429  -4.403  -3.109
   13    HG2  MET   2           HG2      MET   2  -0.570  -6.155  -1.519
   14    HG3  MET   2           HG1      MET   2  -1.378  -4.613  -1.100
   15    HE1  MET   2           HE1      MET   2  -3.804  -4.608  -1.643
   16    HE2  MET   2           HE2      MET   2  -4.609  -4.986  -0.083
   17    HE3  MET   2           HE3      MET   2  -4.947  -5.987  -1.541
   18    H    ARG   3           HN       ARG   3  -4.382  -4.564  -3.014
   19    HA   ARG   3           HA       ARG   3  -5.709  -4.625  -5.536
   20    HB2  ARG   3           HB2      ARG   3  -6.866  -5.478  -3.331
   21    HB3  ARG   3           HB1      ARG   3  -6.825  -3.720  -2.912
   22    HG2  ARG   3           HG2      ARG   3  -7.974  -4.496  -5.605
   23    HG3  ARG   3           HG1      ARG   3  -8.955  -4.860  -4.138
   24    HD2  ARG   3           HD2      ARG   3  -7.741  -2.167  -3.965
   25    HD3  ARG   3           HD1      ARG   3  -8.767  -2.340  -5.464
   26    HE   ARG   3           HE       ARG   3 -10.209  -3.468  -3.241
   27   HH11  ARG   3          HH11      ARG   3  -8.963  -0.367  -4.468
   28   HH12  ARG   3          HH12      ARG   3 -10.199   0.599  -3.735
   29   HH21  ARG   3          HH21      ARG   3 -11.893  -2.158  -2.241
   30   HH22  ARG   3          HH22      ARG   3 -11.894  -0.438  -2.445
   31    H    LEU   4           HN       LEU   4  -4.259  -3.094  -2.927
   32    HA   LEU   4           HA       LEU   4  -5.168  -0.518  -3.446
   33    HB2  LEU   4           HB2      LEU   4  -2.521  -0.673  -2.361
   34    HB3  LEU   4           HB1      LEU   4  -3.979  -0.022  -1.601
   35    HG   LEU   4           HG       LEU   4  -3.352  -2.917  -1.785
   36   HD11  LEU   4          HD11      LEU   4  -1.783  -2.692  -0.264
   37   HD12  LEU   4          HD12      LEU   4  -2.960  -1.924   0.886
   38   HD13  LEU   4          HD13      LEU   4  -2.023  -0.904  -0.292
   39   HD21  LEU   4          HD21      LEU   4  -5.630  -2.865  -1.365
   40   HD22  LEU   4          HD22      LEU   4  -5.542  -1.282  -0.487
   41   HD23  LEU   4          HD23      LEU   4  -4.997  -2.798   0.331
   42    H    SER   5           HN       SER   5  -2.480  -2.450  -3.861
   43    HA   SER   5           HA       SER   5  -0.487  -1.211  -4.631
   44    HB2  SER   5           HB2      SER   5   0.335  -3.184  -5.079
   45    HB3  SER   5           HB1      SER   5  -1.336  -3.718  -4.594
   46    HG   SER   5           HG       SER   5  -0.459  -3.165  -7.267
   47    H    LYS   6           HN       LYS   6  -3.144  -0.708  -6.599
   48    HA   LYS   6           HA       LYS   6  -1.460   0.222  -8.762
   49    HB2  LYS   6           HB2      LYS   6  -4.389   0.881  -8.014
   50    HB3  LYS   6           HB1      LYS   6  -3.545   1.409  -9.513
   51    HG2  LYS   6           HG2      LYS   6  -3.428  -0.866 -10.361
   52    HG3  LYS   6           HG1      LYS   6  -3.970  -1.550  -8.790
   53    HD2  LYS   6           HD2      LYS   6  -5.852  -1.606 -10.318
   54    HD3  LYS   6           HD1      LYS   6  -6.176  -0.345  -9.079
   55    HE2  LYS   6           HE2      LYS   6  -5.521   1.448 -10.688
   56    HE3  LYS   6           HE1      LYS   6  -5.100   0.198 -11.932
   57    HZ1  LYS   6           HZ1      LYS   6  -7.496   1.385 -11.619
   58    HZ2  LYS   6           HZ2      LYS   6  -7.739  -0.091 -10.813
   59    HZ3  LYS   6           HZ3      LYS   6  -7.216  -0.080 -12.428
   60    H    PHE   7           HN       PHE   7  -1.796   0.410  -5.509
   61    HA   PHE   7           HA       PHE   7  -2.199   3.161  -5.000
   62    HB2  PHE   7           HB2      PHE   7  -3.201   1.214  -3.959
   63    HB3  PHE   7           HB1      PHE   7  -1.691   0.780  -3.203
   64    HD1  PHE   7           HD1      PHE   7  -4.642   1.481  -2.468
   65    HD2  PHE   7           HD2      PHE   7  -0.869   3.324  -2.357
   66    HE1  PHE   7           HE1      PHE   7  -5.087   2.382  -0.297
   67    HE2  PHE   7           HE2      PHE   7  -1.146   4.254  -0.369
   68    HZ   PHE   7           HZ       PHE   7  -3.403   3.883   0.864
   69    H    PHE   8           HN       PHE   8  -0.229   0.572  -3.655
   70    HA   PHE   8           HA       PHE   8   1.151   2.649  -2.323
   71    HB2  PHE   8           HB2      PHE   8   2.565   0.530  -1.551
   72    HB3  PHE   8           HB1      PHE   8   1.012   0.883  -0.750
   73    HD1  PHE   8           HD1      PHE   8   3.027  -1.182  -2.222
   74    HD2  PHE   8           HD2      PHE   8  -0.947  -0.121  -1.702
   75    HE1  PHE   8           HE1      PHE   8   2.442  -3.298  -2.878
   76    HE2  PHE   8           HE2      PHE   8  -1.578  -2.298  -2.399
   77    HZ   PHE   8           HZ       PHE   8   0.118  -3.903  -2.943
   78    H    ARG   9           HN       ARG   9   1.105   0.108  -4.351
   79    HA   ARG   9           HA       ARG   9   3.782   0.079  -4.783
   80    HB2  ARG   9           HB2      ARG   9   1.302  -1.070  -5.795
   81    HB3  ARG   9           HB1      ARG   9   2.605  -0.932  -7.053
   82    HG2  ARG   9           HG2      ARG   9   3.165  -2.214  -4.344
   83    HG3  ARG   9           HG1      ARG   9   2.319  -3.162  -5.613
   84    HD2  ARG   9           HD2      ARG   9   4.984  -1.708  -6.142
   85    HD3  ARG   9           HD1      ARG   9   4.910  -3.409  -5.500
   86    HE   ARG   9           HE       ARG   9   3.194  -3.297  -7.776
   87   HH11  ARG   9          HH11      ARG   9   6.627  -2.861  -6.931
   88   HH12  ARG   9          HH12      ARG   9   7.233  -3.393  -8.464
   89   HH21  ARG   9          HH21      ARG   9   4.016  -4.021  -9.862
   90   HH22  ARG   9          HH22      ARG   9   5.721  -4.064 -10.159
   91    H    ASP  10           HN       ASP  10   1.416   2.126  -5.015
   92    HA   ASP  10           HA       ASP  10   2.623   3.209  -7.259
   93    HB2  ASP  10           HB2      ASP  10   0.428   2.177  -7.374
   94    HB3  ASP  10           HB1      ASP  10  -0.119   3.714  -6.607
   95    H    DPN  11           HN       DPN  11   2.237   3.665  -3.962
   96    HA   DPN  11           HA       DPN  11   1.917   6.518  -4.427
   97    HB2  DPN  11           HB1      DPN  11   4.420   6.283  -3.180
   98    HB3  DPN  11           HB2      DPN  11   4.082   6.997  -4.798
   99    HD1  DPN  11           HD1      DPN  11   4.449   5.561  -6.789
  100    HD2  DPN  11           HD2      DPN  11   4.858   4.464  -2.811
  101    HE1  DPN  11           HE1      DPN  11   4.869   3.213  -7.395
  102    HE2  DPN  11           HE2      DPN  11   5.259   2.284  -3.370
  103    HZ   DPN  11           HZ       DPN  11   5.174   1.723  -5.520
  104    H    ILE  12           HN       ILE  12   3.816   4.858  -2.008
  105    HA   ILE  12           HA       ILE  12   3.225   6.709  -0.054
  106    HB   ILE  12           HB       ILE  12   2.366   4.597   1.389
  107   HG12  ILE  12          HG12      ILE  12   0.577   3.517   0.077
  108   HG13  ILE  12          HG11      ILE  12   1.126   4.434  -1.387
  109   HG21  ILE  12          HG21      ILE  12   1.305   7.145   0.402
  110   HG22  ILE  12          HG22      ILE  12   0.872   6.263   1.916
  111   HG23  ILE  12          HG23      ILE  12  -0.008   5.914   0.381
  112   HD11  ILE  12          HD11      ILE  12   3.345   3.330  -0.051
  113   HD12  ILE  12          HD12      ILE  12   2.790   3.099  -1.725
  114   HD13  ILE  12          HD13      ILE  12   2.178   2.077  -0.350
  115    H    LEU  13           HN       LEU  13   4.817   4.254  -1.643
  116    HA   LEU  13           HA       LEU  13   6.543   3.502   0.599
  117    HB2  LEU  13           HB2      LEU  13   6.595   2.439  -2.239
  118    HB3  LEU  13           HB1      LEU  13   7.119   1.598  -0.734
  119    HG   LEU  13           HG       LEU  13   4.359   2.407  -1.550
  120   HD11  LEU  13          HD11      LEU  13   4.490  -0.407  -1.349
  121   HD12  LEU  13          HD12      LEU  13   6.010   0.097  -2.190
  122   HD13  LEU  13          HD13      LEU  13   4.412   0.610  -2.851
  123   HD21  LEU  13          HD21      LEU  13   3.636   1.158   0.505
  124   HD22  LEU  13          HD22      LEU  13   4.702   2.590   0.876
  125   HD23  LEU  13          HD23      LEU  13   5.374   0.899   0.934
  126    H    GLN  14           HN       GLN  14   6.565   4.405  -2.883
  127    HA   GLN  14           HA       GLN  14   9.400   4.658  -2.929
  128    HB2  GLN  14           HB2      GLN  14   7.450   6.286  -4.635
  129    HB3  GLN  14           HB1      GLN  14   9.175   5.938  -5.019
  130    HG2  GLN  14           HG2      GLN  14   6.807   4.083  -4.971
  131    HG3  GLN  14           HG1      GLN  14   7.865   4.465  -6.373
  132   HE21  GLN  14          HE21      GLN  14   7.178   2.468  -3.762
  133   HE22  GLN  14          HE22      GLN  14   8.614   1.482  -3.736
  134    H    ARG  15           HN       ARG  15   6.756   6.367  -1.725
  135    HA   ARG  15           HA       ARG  15   8.408   8.760  -1.545
  136    HB2  ARG  15           HB2      ARG  15   5.663   8.759  -0.296
  137    HB3  ARG  15           HB1      ARG  15   6.484  10.052  -1.239
  138    HG2  ARG  15           HG2      ARG  15   5.649   9.312  -3.248
  139    HG3  ARG  15           HG1      ARG  15   5.734   7.576  -2.769
  140    HD2  ARG  15           HD2      ARG  15   3.351   8.387  -2.985
  141    HD3  ARG  15           HD1      ARG  15   3.766   7.827  -1.307
  142    HE   ARG  15           HE       ARG  15   3.544  10.071  -0.541
  143   HH11  ARG  15          HH11      ARG  15   3.592   9.916  -4.110
  144   HH12  ARG  15          HH12      ARG  15   3.177  11.581  -4.339
  145   HH21  ARG  15          HH21      ARG  15   2.990  12.338  -0.866
  146   HH22  ARG  15          HH22      ARG  15   2.831  12.979  -2.466
  147    H    LYS  16           HN       LYS  16   6.887   6.065   0.078
  148    HA   LYS  16           HA       LYS  16   6.894   5.264   2.109
  149    HB2  LYS  16           HB2      LYS  16   9.297   7.111   2.272
  150    HB3  LYS  16           HB1      LYS  16   8.689   6.358   3.777
  151    HG2  LYS  16           HG2      LYS  16  10.007   4.581   3.296
  152    HG3  LYS  16           HG1      LYS  16   8.849   4.195   1.974
  153    HD2  LYS  16           HD2      LYS  16  10.904   4.258   0.833
  154    HD3  LYS  16           HD1      LYS  16  10.248   5.907   0.543
  155    HE2  LYS  16           HE2      LYS  16  11.695   6.835   2.353
  156    HE3  LYS  16           HE1      LYS  16  12.307   5.173   2.741
  157    HZ1  LYS  16           HZ1      LYS  16  13.531   6.817   1.111
  158    HZ2  LYS  16           HZ2      LYS  16  12.512   6.079  -0.029
  159    HZ3  LYS  16           HZ3      LYS  16  13.567   5.131   0.907
  160    H    LYS  17           HN       LYS  17   5.501   7.664   1.190
  161    HA   LYS  17           HA       LYS  17   4.231   9.293   1.849
  162    HB2  LYS  17           HB2      LYS  17   4.049   7.339   4.056
  163    HB3  LYS  17           HB1      LYS  17   3.783   9.020   4.644
  164    HG2  LYS  17           HG2      LYS  17   2.298   7.590   2.379
  165    HG3  LYS  17           HG1      LYS  17   1.636   8.049   3.987
  166    HD2  LYS  17           HD2      LYS  17   1.053  10.093   3.186
  167    HD3  LYS  17           HD1      LYS  17   2.760  10.429   2.733
  168    HE2  LYS  17           HE2      LYS  17   2.419   9.255   0.541
  169    HE3  LYS  17           HE1      LYS  17   0.682   8.954   0.988
  170    HZ1  LYS  17           HZ1      LYS  17   1.731  11.692   1.131
  171    HZ2  LYS  17           HZ2      LYS  17   0.171  11.127   0.772
  172    HZ3  LYS  17           HZ3      LYS  17   1.402  11.016  -0.393
  Start of MODEL   17
    1    H1   GLU   1           HT1      GLU   1   0.291 -10.967  -4.440
    2    H2   GLU   1           HT2      GLU   1  -0.078 -10.113  -3.020
    3    H3   GLU   1           HT3      GLU   1   0.529  -9.287  -4.375
    4    HA   GLU   1           HA       GLU   1  -1.403  -9.537  -5.576
    5    HB2  GLU   1           HB2      GLU   1  -1.699 -11.982  -4.946
    6    HB3  GLU   1           HB1      GLU   1  -2.375 -11.445  -3.368
    7    HG2  GLU   1           HG2      GLU   1  -4.273 -10.303  -4.538
    8    HG3  GLU   1           HG1      GLU   1  -3.588 -10.785  -6.142
    9    H    MET   2           HN       MET   2  -1.710  -7.324  -5.113
   10    HA   MET   2           HA       MET   2  -3.319  -6.857  -2.706
   11    HB2  MET   2           HB2      MET   2  -0.906  -5.374  -3.719
   12    HB3  MET   2           HB1      MET   2  -2.275  -4.374  -3.125
   13    HG2  MET   2           HG2      MET   2  -0.334  -6.105  -1.625
   14    HG3  MET   2           HG1      MET   2  -1.101  -4.548  -1.190
   15    HE1  MET   2           HE1      MET   2  -4.755  -5.907  -1.159
   16    HE2  MET   2           HE2      MET   2  -3.609  -4.620  -1.653
   17    HE3  MET   2           HE3      MET   2  -4.132  -4.745   0.062
   18    H    ARG   3           HN       ARG   3  -4.285  -4.525  -2.960
   19    HA   ARG   3           HA       ARG   3  -5.586  -4.579  -5.521
   20    HB2  ARG   3           HB2      ARG   3  -6.532  -4.323  -2.707
   21    HB3  ARG   3           HB1      ARG   3  -7.514  -3.592  -4.031
   22    HG2  ARG   3           HG2      ARG   3  -8.567  -5.682  -3.814
   23    HG3  ARG   3           HG1      ARG   3  -7.338  -6.068  -5.074
   24    HD2  ARG   3           HD2      ARG   3  -6.644  -7.760  -3.666
   25    HD3  ARG   3           HD1      ARG   3  -5.930  -6.436  -2.633
   26    HE   ARG   3           HE       ARG   3  -8.735  -6.717  -2.007
   27   HH11  ARG   3          HH11      ARG   3  -5.609  -8.405  -1.752
   28   HH12  ARG   3          HH12      ARG   3  -6.007  -9.247  -0.292
   29   HH21  ARG   3          HH21      ARG   3  -9.279  -7.863  -0.020
   30   HH22  ARG   3          HH22      ARG   3  -8.130  -8.934   0.708
   31    H    LEU   4           HN       LEU   4  -4.087  -3.094  -2.948
   32    HA   LEU   4           HA       LEU   4  -5.065  -0.510  -3.403
   33    HB2  LEU   4           HB2      LEU   4  -2.398  -0.649  -2.360
   34    HB3  LEU   4           HB1      LEU   4  -3.851  -0.018  -1.571
   35    HG   LEU   4           HG       LEU   4  -3.199  -2.904  -1.796
   36   HD11  LEU   4          HD11      LEU   4  -1.872  -0.900  -0.300
   37   HD12  LEU   4          HD12      LEU   4  -1.622  -2.688  -0.290
   38   HD13  LEU   4          HD13      LEU   4  -2.789  -1.931   0.881
   39   HD21  LEU   4          HD21      LEU   4  -5.441  -2.967  -1.312
   40   HD22  LEU   4          HD22      LEU   4  -5.433  -1.318  -0.556
   41   HD23  LEU   4          HD23      LEU   4  -4.827  -2.741   0.379
   42    H    SER   5           HN       SER   5  -2.374  -2.410  -3.877
   43    HA   SER   5           HA       SER   5  -0.396  -1.167  -4.675
   44    HB2  SER   5           HB2      SER   5   0.410  -3.139  -5.148
   45    HB3  SER   5           HB1      SER   5  -1.257  -3.675  -4.643
   46    HG   SER   5           HG       SER   5  -0.432  -3.084  -7.328
   47    H    LYS   6           HN       LYS   6  -3.086  -0.639  -6.579
   48    HA   LYS   6           HA       LYS   6  -1.435   0.310  -8.764
   49    HB2  LYS   6           HB2      LYS   6  -4.344   1.044  -8.019
   50    HB3  LYS   6           HB1      LYS   6  -3.500   1.447  -9.556
   51    HG2  LYS   6           HG2      LYS   6  -4.211  -1.400  -8.610
   52    HG3  LYS   6           HG1      LYS   6  -5.147  -0.436  -9.803
   53    HD2  LYS   6           HD2      LYS   6  -3.114  -0.344 -11.290
   54    HD3  LYS   6           HD1      LYS   6  -2.219  -1.357 -10.105
   55    HE2  LYS   6           HE2      LYS   6  -3.882  -3.218 -10.438
   56    HE3  LYS   6           HE1      LYS   6  -4.772  -2.195 -11.641
   57    HZ1  LYS   6           HZ1      LYS   6  -3.139  -3.824 -12.543
   58    HZ2  LYS   6           HZ2      LYS   6  -1.893  -2.874 -11.889
   59    HZ3  LYS   6           HZ3      LYS   6  -2.932  -2.221 -13.063
   60    H    PHE   7           HN       PHE   7  -1.729   0.462  -5.513
   61    HA   PHE   7           HA       PHE   7  -2.135   3.206  -4.969
   62    HB2  PHE   7           HB2      PHE   7  -3.113   1.242  -3.934
   63    HB3  PHE   7           HB1      PHE   7  -1.589   0.809  -3.203
   64    HD1  PHE   7           HD1      PHE   7  -4.534   1.493  -2.426
   65    HD2  PHE   7           HD2      PHE   7  -0.768   3.347  -2.345
   66    HE1  PHE   7           HE1      PHE   7  -4.958   2.376  -0.244
   67    HE2  PHE   7           HE2      PHE   7  -1.025   4.266  -0.349
   68    HZ   PHE   7           HZ       PHE   7  -3.266   3.877   0.909
   69    H    PHE   8           HN       PHE   8  -0.134   0.611  -3.682
   70    HA   PHE   8           HA       PHE   8   1.252   2.677  -2.343
   71    HB2  PHE   8           HB2      PHE   8   2.695   0.556  -1.627
   72    HB3  PHE   8           HB1      PHE   8   1.154   0.886  -0.795
   73    HD1  PHE   8           HD1      PHE   8   3.155  -1.148  -2.333
   74    HD2  PHE   8           HD2      PHE   8  -0.813  -0.109  -1.723
   75    HE1  PHE   8           HE1      PHE   8   2.563  -3.260  -3.004
   76    HE2  PHE   8           HE2      PHE   8  -1.451  -2.276  -2.433
   77    HZ   PHE   8           HZ       PHE   8   0.238  -3.870  -3.031
   78    H    ARG   9           HN       ARG   9   1.196   0.162  -4.402
   79    HA   ARG   9           HA       ARG   9   3.863   0.151  -4.883
   80    HB2  ARG   9           HB2      ARG   9   1.367  -0.994  -5.867
   81    HB3  ARG   9           HB1      ARG   9   2.650  -0.836  -7.143
   82    HG2  ARG   9           HG2      ARG   9   3.267  -2.145  -4.460
   83    HG3  ARG   9           HG1      ARG   9   2.392  -3.083  -5.717
   84    HD2  ARG   9           HD2      ARG   9   5.043  -1.623  -6.299
   85    HD3  ARG   9           HD1      ARG   9   4.986  -3.328  -5.664
   86    HE   ARG   9           HE       ARG   9   3.217  -3.200  -7.900
   87   HH11  ARG   9          HH11      ARG   9   6.668  -2.789  -7.125
   88   HH12  ARG   9          HH12      ARG   9   7.238  -3.320  -8.673
   89   HH21  ARG   9          HH21      ARG   9   3.990  -3.921 -10.005
   90   HH22  ARG   9          HH22      ARG   9   5.688  -3.974 -10.338
   91    H    ASP  10           HN       ASP  10   1.481   2.189  -5.053
   92    HA   ASP  10           HA       ASP  10   2.646   3.305  -7.305
   93    HB2  ASP  10           HB2      ASP  10   0.454   2.265  -7.392
   94    HB3  ASP  10           HB1      ASP  10  -0.086   3.789  -6.597
   95    H    DPN  11           HN       DPN  11   2.309   3.717  -3.995
   96    HA   DPN  11           HA       DPN  11   1.976   6.577  -4.420
   97    HB2  DPN  11           HB1      DPN  11   4.499   6.325  -3.212
   98    HB3  DPN  11           HB2      DPN  11   4.134   7.066  -4.815
   99    HD1  DPN  11           HD1      DPN  11   4.475   5.662  -6.835
  100    HD2  DPN  11           HD2      DPN  11   4.940   4.508  -2.883
  101    HE1  DPN  11           HE1      DPN  11   4.897   3.324  -7.480
  102    HE2  DPN  11           HE2      DPN  11   5.344   2.344  -3.476
  103    HZ   DPN  11           HZ       DPN  11   5.235   1.814  -5.625
  104    H    ILE  12           HN       ILE  12   3.902   4.872  -2.036
  105    HA   ILE  12           HA       ILE  12   3.381   6.724  -0.069
  106    HB   ILE  12           HB       ILE  12   2.528   4.605   1.372
  107   HG12  ILE  12          HG12      ILE  12   0.698   3.559   0.083
  108   HG13  ILE  12          HG11      ILE  12   1.228   4.484  -1.381
  109   HG21  ILE  12          HG21      ILE  12   1.291   6.482   1.938
  110   HG22  ILE  12          HG22      ILE  12   0.117   5.870   0.713
  111   HG23  ILE  12          HG23      ILE  12   1.328   7.124   0.252
  112   HD11  ILE  12          HD11      ILE  12   3.459   3.330  -0.092
  113   HD12  ILE  12          HD12      ILE  12   2.886   3.141  -1.763
  114   HD13  ILE  12          HD13      ILE  12   2.271   2.105  -0.400
  115    H    LEU  13           HN       LEU  13   4.951   4.338  -1.726
  116    HA   LEU  13           HA       LEU  13   6.685   3.529   0.491
  117    HB2  LEU  13           HB2      LEU  13   6.702   2.516  -2.366
  118    HB3  LEU  13           HB1      LEU  13   7.255   1.651  -0.887
  119    HG   LEU  13           HG       LEU  13   4.468   2.450  -1.644
  120   HD11  LEU  13          HD11      LEU  13   4.509   0.667  -2.968
  121   HD12  LEU  13          HD12      LEU  13   4.645  -0.372  -1.483
  122   HD13  LEU  13          HD13      LEU  13   6.130   0.171  -2.358
  123   HD21  LEU  13          HD21      LEU  13   4.848   2.586   0.776
  124   HD22  LEU  13          HD22      LEU  13   5.527   0.897   0.792
  125   HD23  LEU  13          HD23      LEU  13   3.784   1.163   0.391
  126    H    GLN  14           HN       GLN  14   6.641   4.494  -2.966
  127    HA   GLN  14           HA       GLN  14   9.466   4.841  -3.042
  128    HB2  GLN  14           HB2      GLN  14   7.435   6.421  -4.695
  129    HB3  GLN  14           HB1      GLN  14   9.163   6.135  -5.112
  130    HG2  GLN  14           HG2      GLN  14   6.857   4.205  -5.052
  131    HG3  GLN  14           HG1      GLN  14   7.884   4.635  -6.463
  132   HE21  GLN  14          HE21      GLN  14   7.287   2.588  -3.874
  133   HE22  GLN  14          HE22      GLN  14   8.752   1.644  -3.875
  134    H    ARG  15           HN       ARG  15   6.784   6.450  -1.759
  135    HA   ARG  15           HA       ARG  15   8.398   8.874  -1.551
  136    HB2  ARG  15           HB2      ARG  15   5.630   8.851  -0.397
  137    HB3  ARG  15           HB1      ARG  15   6.462  10.150  -1.313
  138    HG2  ARG  15           HG2      ARG  15   5.667   9.423  -3.338
  139    HG3  ARG  15           HG1      ARG  15   5.793   7.682  -2.886
  140    HD2  ARG  15           HD2      ARG  15   3.402   8.321  -3.115
  141    HD3  ARG  15           HD1      ARG  15   3.794   7.928  -1.382
  142    HE   ARG  15           HE       ARG  15   3.512  10.244  -0.838
  143   HH11  ARG  15          HH11      ARG  15   3.444   9.701  -4.368
  144   HH12  ARG  15          HH12      ARG  15   2.865  11.286  -4.753
  145   HH21  ARG  15          HH21      ARG  15   2.725  12.393  -1.372
  146   HH22  ARG  15          HH22      ARG  15   2.450  12.842  -3.021
  147    H    LYS  16           HN       LYS  16   6.867   6.167  -0.019
  148    HA   LYS  16           HA       LYS  16   7.043   5.218   1.896
  149    HB2  LYS  16           HB2      LYS  16   8.842   7.529   2.709
  150    HB3  LYS  16           HB1      LYS  16   8.494   6.127   3.761
  151    HG2  LYS  16           HG2      LYS  16   9.865   5.980   1.009
  152    HG3  LYS  16           HG1      LYS  16  10.718   5.970   2.590
  153    HD2  LYS  16           HD2      LYS  16   9.396   3.892   3.228
  154    HD3  LYS  16           HD1      LYS  16   8.687   3.886   1.576
  155    HE2  LYS  16           HE2      LYS  16  10.585   2.296   1.664
  156    HE3  LYS  16           HE1      LYS  16  11.052   3.703   0.620
  157    HZ1  LYS  16           HZ1      LYS  16  12.691   4.158   1.975
  158    HZ2  LYS  16           HZ2      LYS  16  12.372   2.721   2.823
  159    HZ3  LYS  16           HZ3      LYS  16  11.688   4.185   3.344
  160    H    LYS  17           HN       LYS  17   5.358   7.763   1.153
  161    HA   LYS  17           HA       LYS  17   3.707   7.503   3.364
  162    HB2  LYS  17           HB2      LYS  17   3.831  10.060   4.024
  163    HB3  LYS  17           HB1      LYS  17   4.982   8.907   4.775
  164    HG2  LYS  17           HG2      LYS  17   6.506  10.506   4.161
  165    HG3  LYS  17           HG1      LYS  17   6.482   9.590   2.622
  166    HD2  LYS  17           HD2      LYS  17   4.430  11.308   2.099
  167    HD3  LYS  17           HD1      LYS  17   5.332  12.316   3.284
  168    HE2  LYS  17           HE2      LYS  17   6.532  11.057   0.725
  169    HE3  LYS  17           HE1      LYS  17   6.058  12.796   0.933
  170    HZ1  LYS  17           HZ1      LYS  17   7.640  12.394   3.047
  171    HZ2  LYS  17           HZ2      LYS  17   8.166  12.985   1.545
  172    HZ3  LYS  17           HZ3      LYS  17   8.355  11.340   1.926
  Start of MODEL   18
    1    H1   GLU   1           HT1      GLU   1   0.373  -9.526  -6.107
    2    H2   GLU   1           HT2      GLU   1  -0.015  -8.022  -5.419
    3    H3   GLU   1           HT3      GLU   1  -1.070  -8.741  -6.541
    4    HA   GLU   1           HA       GLU   1  -1.831 -10.289  -5.095
    5    HB2  GLU   1           HB2      GLU   1  -0.653 -10.955  -2.997
    6    HB3  GLU   1           HB1      GLU   1   0.405 -11.160  -4.436
    7    HG2  GLU   1           HG2      GLU   1   1.512  -8.936  -3.920
    8    HG3  GLU   1           HG1      GLU   1   0.491  -8.798  -2.435
    9    H    MET   2           HN       MET   2  -1.915  -7.202  -5.256
   10    HA   MET   2           HA       MET   2  -3.361  -6.917  -2.752
   11    HB2  MET   2           HB2      MET   2  -0.987  -5.309  -3.583
   12    HB3  MET   2           HB1      MET   2  -2.408  -4.344  -3.060
   13    HG2  MET   2           HG2      MET   2  -0.544  -6.093  -1.474
   14    HG3  MET   2           HG1      MET   2  -1.332  -4.538  -1.063
   15    HE1  MET   2           HE1      MET   2  -4.552  -4.869  -0.001
   16    HE2  MET   2           HE2      MET   2  -4.920  -5.893  -1.435
   17    HE3  MET   2           HE3      MET   2  -3.769  -4.526  -1.580
   18    H    ARG   3           HN       ARG   3  -4.367  -4.486  -2.940
   19    HA   ARG   3           HA       ARG   3  -5.712  -4.559  -5.453
   20    HB2  ARG   3           HB2      ARG   3  -6.864  -5.381  -3.235
   21    HB3  ARG   3           HB1      ARG   3  -6.801  -3.622  -2.829
   22    HG2  ARG   3           HG2      ARG   3  -7.976  -4.405  -5.509
   23    HG3  ARG   3           HG1      ARG   3  -8.951  -4.748  -4.034
   24    HD2  ARG   3           HD2      ARG   3  -7.708  -2.066  -3.889
   25    HD3  ARG   3           HD1      ARG   3  -8.751  -2.240  -5.377
   26    HE   ARG   3           HE       ARG   3 -10.183  -3.337  -3.135
   27   HH11  ARG   3          HH11      ARG   3  -8.910  -0.257  -4.387
   28   HH12  ARG   3          HH12      ARG   3 -10.128   0.727  -3.645
   29   HH21  ARG   3          HH21      ARG   3 -11.841  -2.001  -2.124
   30   HH22  ARG   3          HH22      ARG   3 -11.823  -0.283  -2.336
   31    H    LEU   4           HN       LEU   4  -4.227  -3.016  -2.870
   32    HA   LEU   4           HA       LEU   4  -5.119  -0.439  -3.400
   33    HB2  LEU   4           HB2      LEU   4  -2.461  -0.609  -2.342
   34    HB3  LEU   4           HB1      LEU   4  -3.904   0.063  -1.573
   35    HG   LEU   4           HG       LEU   4  -3.309  -2.840  -1.739
   36   HD11  LEU   4          HD11      LEU   4  -1.719  -2.615  -0.243
   37   HD12  LEU   4          HD12      LEU   4  -2.881  -1.842   0.921
   38   HD13  LEU   4          HD13      LEU   4  -1.953  -0.826  -0.267
   39   HD21  LEU   4          HD21      LEU   4  -5.472  -1.174  -0.439
   40   HD22  LEU   4          HD22      LEU   4  -4.931  -2.684   0.395
   41   HD23  LEU   4          HD23      LEU   4  -5.582  -2.764  -1.297
   42    H    SER   5           HN       SER   5  -2.452  -2.394  -3.827
   43    HA   SER   5           HA       SER   5  -0.456  -1.181  -4.627
   44    HB2  SER   5           HB2      SER   5   0.345  -3.161  -5.073
   45    HB3  SER   5           HB1      SER   5  -1.324  -3.678  -4.558
   46    HG   SER   5           HG       SER   5  -0.482  -3.155  -7.250
   47    H    LYS   6           HN       LYS   6  -3.119  -0.653  -6.560
   48    HA   LYS   6           HA       LYS   6  -1.439   0.240  -8.746
   49    HB2  LYS   6           HB2      LYS   6  -4.345   1.021  -8.034
   50    HB3  LYS   6           HB1      LYS   6  -3.487   1.386  -9.571
   51    HG2  LYS   6           HG2      LYS   6  -4.249  -1.432  -8.576
   52    HG3  LYS   6           HG1      LYS   6  -5.156  -0.479  -9.799
   53    HD2  LYS   6           HD2      LYS   6  -2.206  -1.330 -10.095
   54    HD3  LYS   6           HD1      LYS   6  -3.599  -2.249 -10.759
   55    HE2  LYS   6           HE2      LYS   6  -4.252  -0.208 -12.127
   56    HE3  LYS   6           HE1      LYS   6  -2.768   0.635 -11.514
   57    HZ1  LYS   6           HZ1      LYS   6  -3.054  -1.372 -13.534
   58    HZ2  LYS   6           HZ2      LYS   6  -1.861  -1.772 -12.393
   59    HZ3  LYS   6           HZ3      LYS   6  -1.780  -0.293 -13.224
   60    H    PHE   7           HN       PHE   7  -1.761   0.449  -5.498
   61    HA   PHE   7           HA       PHE   7  -2.139   3.207  -5.002
   62    HB2  PHE   7           HB2      PHE   7  -3.147   1.272  -3.941
   63    HB3  PHE   7           HB1      PHE   7  -1.635   0.835  -3.191
   64    HD1  PHE   7           HD1      PHE   7  -4.577   1.562  -2.445
   65    HD2  PHE   7           HD2      PHE   7  -0.791   3.378  -2.371
   66    HE1  PHE   7           HE1      PHE   7  -5.005   2.487  -0.282
   67    HE2  PHE   7           HE2      PHE   7  -1.052   4.333  -0.391
   68    HZ   PHE   7           HZ       PHE   7  -3.305   3.988   0.857
   69    H    PHE   8           HN       PHE   8  -0.178   0.612  -3.658
   70    HA   PHE   8           HA       PHE   8   1.222   2.683  -2.340
   71    HB2  PHE   8           HB2      PHE   8   2.637   0.556  -1.586
   72    HB3  PHE   8           HB1      PHE   8   1.096   0.915  -0.768
   73    HD1  PHE   8           HD1      PHE   8   3.082  -1.162  -2.263
   74    HD2  PHE   8           HD2      PHE   8  -0.878  -0.072  -1.693
   75    HE1  PHE   8           HE1      PHE   8   2.473  -3.277  -2.906
   76    HE2  PHE   8           HE2      PHE   8  -1.533  -2.244  -2.375
   77    HZ   PHE   8           HZ       PHE   8   0.143  -3.864  -2.937
   78    H    ARG   9           HN       ARG   9   1.144   0.149  -4.373
   79    HA   ARG   9           HA       ARG   9   3.817   0.095  -4.828
   80    HB2  ARG   9           HB2      ARG   9   1.319  -1.037  -5.812
   81    HB3  ARG   9           HB1      ARG   9   2.607  -0.908  -7.084
   82    HG2  ARG   9           HG2      ARG   9   3.191  -2.193  -4.381
   83    HG3  ARG   9           HG1      ARG   9   2.326  -3.136  -5.642
   84    HD2  ARG   9           HD2      ARG   9   4.995  -1.699  -6.196
   85    HD3  ARG   9           HD1      ARG   9   4.915  -3.402  -5.560
   86    HE   ARG   9           HE       ARG   9   3.177  -3.271  -7.816
   87   HH11  ARG   9          HH11      ARG   9   6.620  -2.852  -7.010
   88   HH12  ARG   9          HH12      ARG   9   7.205  -3.379  -8.552
   89   HH21  ARG   9          HH21      ARG   9   3.971  -3.989  -9.914
   90   HH22  ARG   9          HH22      ARG   9   5.672  -4.036 -10.232
   91    H    ASP  10           HN       ASP  10   1.460   2.159  -5.042
   92    HA   ASP  10           HA       ASP  10   2.662   3.228  -7.296
   93    HB2  ASP  10           HB2      ASP  10   0.492   2.232  -7.480
   94    HB3  ASP  10           HB1      ASP  10  -0.078   3.696  -6.598
   95    H    DPN  11           HN       DPN  11   2.302   3.692  -3.999
   96    HA   DPN  11           HA       DPN  11   2.003   6.546  -4.469
   97    HB2  DPN  11           HB1      DPN  11   4.514   6.290  -3.245
   98    HB3  DPN  11           HB2      DPN  11   4.165   7.005  -4.863
   99    HD1  DPN  11           HD1      DPN  11   4.511   5.566  -6.855
  100    HD2  DPN  11           HD2      DPN  11   4.931   4.471  -2.880
  101    HE1  DPN  11           HE1      DPN  11   4.915   3.214  -7.459
  102    HE2  DPN  11           HE2      DPN  11   5.316   2.292  -3.435
  103    HZ   DPN  11           HZ       DPN  11   5.219   1.729  -5.577
  104    H    ILE  12           HN       ILE  12   3.894   4.855  -2.046
  105    HA   ILE  12           HA       ILE  12   3.384   6.741  -0.111
  106    HB   ILE  12           HB       ILE  12   2.489   4.659   1.355
  107   HG12  ILE  12          HG12      ILE  12   0.658   3.615   0.068
  108   HG13  ILE  12          HG11      ILE  12   1.208   4.512  -1.407
  109   HG21  ILE  12          HG21      ILE  12   1.257   6.548   1.885
  110   HG22  ILE  12          HG22      ILE  12   0.102   5.954   0.634
  111   HG23  ILE  12          HG23      ILE  12   1.347   7.183   0.198
  112   HD11  ILE  12          HD11      ILE  12   2.225   2.136  -0.402
  113   HD12  ILE  12          HD12      ILE  12   3.415   3.343  -0.070
  114   HD13  ILE  12          HD13      ILE  12   2.859   3.147  -1.758
  115    H    LEU  13           HN       LEU  13   4.935   4.310  -1.720
  116    HA   LEU  13           HA       LEU  13   6.635   3.508   0.526
  117    HB2  LEU  13           HB2      LEU  13   6.666   2.460  -2.318
  118    HB3  LEU  13           HB1      LEU  13   7.197   1.606  -0.824
  119    HG   LEU  13           HG       LEU  13   4.428   2.430  -1.616
  120   HD11  LEU  13          HD11      LEU  13   6.069   0.123  -2.283
  121   HD12  LEU  13          HD12      LEU  13   4.460   0.628  -2.915
  122   HD13  LEU  13          HD13      LEU  13   4.571  -0.393  -1.415
  123   HD21  LEU  13          HD21      LEU  13   5.443   0.898   0.852
  124   HD22  LEU  13          HD22      LEU  13   3.709   1.177   0.428
  125   HD23  LEU  13          HD23      LEU  13   4.792   2.594   0.806
  126    H    GLN  14           HN       GLN  14   6.637   4.431  -2.940
  127    HA   GLN  14           HA       GLN  14   9.468   4.738  -2.998
  128    HB2  GLN  14           HB2      GLN  14   7.470   6.322  -4.689
  129    HB3  GLN  14           HB1      GLN  14   9.199   6.009  -5.087
  130    HG2  GLN  14           HG2      GLN  14   6.866   4.109  -5.025
  131    HG3  GLN  14           HG1      GLN  14   7.914   4.507  -6.431
  132   HE21  GLN  14          HE21      GLN  14   7.261   2.501  -3.823
  133   HE22  GLN  14          HE22      GLN  14   8.713   1.539  -3.795
  134    H    ARG  15           HN       ARG  15   6.791   6.401  -1.769
  135    HA   ARG  15           HA       ARG  15   8.433   8.809  -1.579
  136    HB2  ARG  15           HB2      ARG  15   5.656   8.828  -0.444
  137    HB3  ARG  15           HB1      ARG  15   6.509  10.109  -1.369
  138    HG2  ARG  15           HG2      ARG  15   5.728   9.364  -3.393
  139    HG3  ARG  15           HG1      ARG  15   5.827   7.628  -2.918
  140    HD2  ARG  15           HD2      ARG  15   3.446   8.297  -3.178
  141    HD3  ARG  15           HD1      ARG  15   3.817   7.918  -1.439
  142    HE   ARG  15           HE       ARG  15   3.549  10.240  -0.922
  143   HH11  ARG  15          HH11      ARG  15   3.548   9.671  -4.448
  144   HH12  ARG  15          HH12      ARG  15   3.006  11.264  -4.857
  145   HH21  ARG  15          HH21      ARG  15   2.813  12.399  -1.487
  146   HH22  ARG  15          HH22      ARG  15   2.582  12.839  -3.146
  147    H    LYS  16           HN       LYS  16   6.861   6.141  -0.024
  148    HA   LYS  16           HA       LYS  16   7.025   5.206   1.900
  149    HB2  LYS  16           HB2      LYS  16   8.857   7.507   2.669
  150    HB3  LYS  16           HB1      LYS  16   8.478   6.147   3.764
  151    HG2  LYS  16           HG2      LYS  16   9.880   5.914   1.033
  152    HG3  LYS  16           HG1      LYS  16  10.700   5.885   2.632
  153    HD2  LYS  16           HD2      LYS  16   8.533   3.873   1.761
  154    HD3  LYS  16           HD1      LYS  16  10.299   3.598   1.575
  155    HE2  LYS  16           HE2      LYS  16  10.572   3.852   4.092
  156    HE3  LYS  16           HE1      LYS  16   8.771   4.008   4.235
  157    HZ1  LYS  16           HZ1      LYS  16   9.487   1.757   2.663
  158    HZ2  LYS  16           HZ2      LYS  16   8.579   1.848   4.095
  159    HZ3  LYS  16           HZ3      LYS  16  10.269   1.704   4.168
  160    H    LYS  17           HN       LYS  17   5.367   7.759   1.127
  161    HA   LYS  17           HA       LYS  17   3.712   7.534   3.343
  162    HB2  LYS  17           HB2      LYS  17   3.847  10.097   3.966
  163    HB3  LYS  17           HB1      LYS  17   5.002   8.956   4.728
  164    HG2  LYS  17           HG2      LYS  17   6.521  10.547   4.081
  165    HG3  LYS  17           HG1      LYS  17   6.490   9.604   2.557
  166    HD2  LYS  17           HD2      LYS  17   4.438  11.308   2.007
  167    HD3  LYS  17           HD1      LYS  17   5.331  12.337   3.180
  168    HE2  LYS  17           HE2      LYS  17   6.568  11.039   0.659
  169    HE3  LYS  17           HE1      LYS  17   6.046  12.770   0.805
  170    HZ1  LYS  17           HZ1      LYS  17   8.136  13.043   1.438
  171    HZ2  LYS  17           HZ2      LYS  17   8.374  11.413   1.855
  172    HZ3  LYS  17           HZ3      LYS  17   7.617  12.469   2.949
  Start of MODEL   19
    1    H1   GLU   1           HT1      GLU   1  -2.624  -9.209  -6.128
    2    H2   GLU   1           HT2      GLU   1  -1.970 -10.751  -6.409
    3    H3   GLU   1           HT3      GLU   1  -0.986  -9.374  -6.550
    4    HA   GLU   1           HA       GLU   1  -1.739 -10.884  -4.243
    5    HB2  GLU   1           HB2      GLU   1   0.624 -10.415  -5.154
    6    HB3  GLU   1           HB1      GLU   1   0.399  -8.711  -4.621
    7    HG2  GLU   1           HG2      GLU   1   0.144  -9.447  -2.249
    8    HG3  GLU   1           HG1      GLU   1   0.282 -11.179  -2.755
    9    H    MET   2           HN       MET   2  -1.748  -7.399  -5.211
   10    HA   MET   2           HA       MET   2  -3.326  -6.917  -2.792
   11    HB2  MET   2           HB2      MET   2  -0.909  -5.427  -3.791
   12    HB3  MET   2           HB1      MET   2  -2.284  -4.434  -3.199
   13    HG2  MET   2           HG2      MET   2  -0.341  -6.159  -1.697
   14    HG3  MET   2           HG1      MET   2  -1.121  -4.609  -1.259
   15    HE1  MET   2           HE1      MET   2  -4.156  -4.829  -0.024
   16    HE2  MET   2           HE2      MET   2  -4.766  -5.995  -1.249
   17    HE3  MET   2           HE3      MET   2  -3.628  -4.699  -1.736
   18    H    ARG   3           HN       ARG   3  -4.304  -4.599  -3.043
   19    HA   ARG   3           HA       ARG   3  -5.579  -4.643  -5.618
   20    HB2  ARG   3           HB2      ARG   3  -6.557  -4.409  -2.813
   21    HB3  ARG   3           HB1      ARG   3  -7.529  -3.681  -4.145
   22    HG2  ARG   3           HG2      ARG   3  -8.567  -5.781  -3.949
   23    HG3  ARG   3           HG1      ARG   3  -7.320  -6.152  -5.195
   24    HD2  ARG   3           HD2      ARG   3  -6.635  -7.846  -3.785
   25    HD3  ARG   3           HD1      ARG   3  -5.935  -6.521  -2.744
   26    HE   ARG   3           HE       ARG   3  -8.743  -6.812  -2.138
   27   HH11  ARG   3          HH11      ARG   3  -5.616  -8.498  -1.869
   28   HH12  ARG   3          HH12      ARG   3  -6.021  -9.343  -0.412
   29   HH21  ARG   3          HH21      ARG   3  -9.295  -7.963  -0.158
   30   HH22  ARG   3          HH22      ARG   3  -8.149  -9.034   0.576
   31    H    LEU   4           HN       LEU   4  -4.114  -3.165  -3.021
   32    HA   LEU   4           HA       LEU   4  -5.110  -0.586  -3.463
   33    HB2  LEU   4           HB2      LEU   4  -2.451  -0.709  -2.400
   34    HB3  LEU   4           HB1      LEU   4  -3.917  -0.098  -1.617
   35    HG   LEU   4           HG       LEU   4  -3.235  -2.978  -1.861
   36   HD11  LEU   4          HD11      LEU   4  -2.854  -2.028   0.827
   37   HD12  LEU   4          HD12      LEU   4  -1.941  -0.970  -0.336
   38   HD13  LEU   4          HD13      LEU   4  -1.670  -2.755  -0.341
   39   HD21  LEU   4          HD21      LEU   4  -5.493  -1.422  -0.623
   40   HD22  LEU   4          HD22      LEU   4  -4.880  -2.848   0.303
   41   HD23  LEU   4          HD23      LEU   4  -5.483  -3.060  -1.397
   42    H    SER   5           HN       SER   5  -2.399  -2.460  -3.932
   43    HA   SER   5           HA       SER   5  -0.427  -1.194  -4.704
   44    HB2  SER   5           HB2      SER   5   0.401  -3.154  -5.190
   45    HB3  SER   5           HB1      SER   5  -1.263  -3.709  -4.699
   46    HG   SER   5           HG       SER   5  -0.408  -3.104  -7.371
   47    H    LYS   6           HN       LYS   6  -3.114  -0.687  -6.643
   48    HA   LYS   6           HA       LYS   6  -1.462   0.299  -8.801
   49    HB2  LYS   6           HB2      LYS   6  -4.383   0.904  -7.987
   50    HB3  LYS   6           HB1      LYS   6  -3.576   1.475  -9.491
   51    HG2  LYS   6           HG2      LYS   6  -3.353  -0.858 -10.302
   52    HG3  LYS   6           HG1      LYS   6  -4.075  -1.481  -8.776
   53    HD2  LYS   6           HD2      LYS   6  -6.184  -0.260  -9.269
   54    HD3  LYS   6           HD1      LYS   6  -5.474   0.377 -10.793
   55    HE2  LYS   6           HE2      LYS   6  -5.250  -1.969 -11.673
   56    HE3  LYS   6           HE1      LYS   6  -5.960  -2.609 -10.132
   57    HZ1  LYS   6           HZ1      LYS   6  -7.443  -2.207 -12.163
   58    HZ2  LYS   6           HZ2      LYS   6  -7.390  -0.570 -11.716
   59    HZ3  LYS   6           HZ3      LYS   6  -7.994  -1.728 -10.630
   60    H    PHE   7           HN       PHE   7  -1.766   0.429  -5.538
   61    HA   PHE   7           HA       PHE   7  -2.193   3.165  -4.977
   62    HB2  PHE   7           HB2      PHE   7  -3.164   1.188  -3.965
   63    HB3  PHE   7           HB1      PHE   7  -1.643   0.758  -3.228
   64    HD1  PHE   7           HD1      PHE   7  -4.599   1.416  -2.465
   65    HD2  PHE   7           HD2      PHE   7  -0.842   3.292  -2.339
   66    HE1  PHE   7           HE1      PHE   7  -5.039   2.271  -0.274
   67    HE2  PHE   7           HE2      PHE   7  -1.117   4.182  -0.333
   68    HZ   PHE   7           HZ       PHE   7  -3.363   3.767   0.907
   69    H    PHE   8           HN       PHE   8  -0.184   0.575  -3.695
   70    HA   PHE   8           HA       PHE   8   1.185   2.644  -2.337
   71    HB2  PHE   8           HB2      PHE   8   2.630   0.526  -1.622
   72    HB3  PHE   8           HB1      PHE   8   1.082   0.845  -0.798
   73    HD1  PHE   8           HD1      PHE   8   3.104  -1.165  -2.341
   74    HD2  PHE   8           HD2      PHE   8  -0.875  -0.163  -1.742
   75    HE1  PHE   8           HE1      PHE   8   2.534  -3.274  -3.034
   76    HE2  PHE   8           HE2      PHE   8  -1.490  -2.331  -2.477
   77    HZ   PHE   8           HZ       PHE   8   0.215  -3.905  -3.080
   78    H    ARG   9           HN       ARG   9   1.143   0.156  -4.428
   79    HA   ARG   9           HA       ARG   9   3.819   0.160  -4.877
   80    HB2  ARG   9           HB2      ARG   9   1.344  -0.999  -5.890
   81    HB3  ARG   9           HB1      ARG   9   2.633  -0.816  -7.157
   82    HG2  ARG   9           HG2      ARG   9   3.231  -2.153  -4.482
   83    HG3  ARG   9           HG1      ARG   9   2.391  -3.081  -5.768
   84    HD2  ARG   9           HD2      ARG   9   5.035  -1.580  -6.272
   85    HD3  ARG   9           HD1      ARG   9   4.984  -3.299  -5.680
   86    HE   ARG   9           HE       ARG   9   3.256  -3.143  -7.943
   87   HH11  ARG   9          HH11      ARG   9   6.686  -2.683  -7.104
   88   HH12  ARG   9          HH12      ARG   9   7.290  -3.159  -8.655
   89   HH21  ARG   9          HH21      ARG   9   4.075  -3.791 -10.054
   90   HH22  ARG   9          HH22      ARG   9   5.779  -3.799 -10.362
   91    H    ASP  10           HN       ASP  10   1.426   2.183  -5.042
   92    HA   ASP  10           HA       ASP  10   2.606   3.328  -7.268
   93    HB2  ASP  10           HB2      ASP  10   0.452   2.297  -7.474
   94    HB3  ASP  10           HB1      ASP  10  -0.142   3.733  -6.564
   95    H    DPN  11           HN       DPN  11   2.242   3.708  -3.964
   96    HA   DPN  11           HA       DPN  11   1.885   6.568  -4.367
   97    HB2  DPN  11           HB1      DPN  11   4.402   6.334  -3.146
   98    HB3  DPN  11           HB2      DPN  11   4.041   7.078  -4.746
   99    HD1  DPN  11           HD1      DPN  11   4.407   5.691  -6.771
  100    HD2  DPN  11           HD2      DPN  11   4.861   4.512  -2.821
  101    HE1  DPN  11           HE1      DPN  11   4.850   3.362  -7.432
  102    HE2  DPN  11           HE2      DPN  11   5.284   2.350  -3.430
  103    HZ   DPN  11           HZ       DPN  11   5.188   1.835  -5.591
  104    H    ILE  12           HN       ILE  12   3.822   4.879  -1.999
  105    HA   ILE  12           HA       ILE  12   3.225   6.683  -0.002
  106    HB   ILE  12           HB       ILE  12   2.406   4.529   1.403
  107   HG12  ILE  12          HG12      ILE  12   0.620   3.454   0.083
  108   HG13  ILE  12          HG11      ILE  12   1.145   4.409  -1.366
  109   HG21  ILE  12          HG21      ILE  12   0.884   6.154   1.977
  110   HG22  ILE  12          HG22      ILE  12   0.010   5.843   0.430
  111   HG23  ILE  12          HG23      ILE  12   1.311   7.086   0.491
  112   HD11  ILE  12          HD11      ILE  12   3.390   3.307  -0.073
  113   HD12  ILE  12          HD12      ILE  12   2.821   3.102  -1.746
  114   HD13  ILE  12          HD13      ILE  12   2.236   2.044  -0.386
  115    H    LEU  13           HN       LEU  13   4.833   4.280  -1.656
  116    HA   LEU  13           HA       LEU  13   6.592   3.507   0.551
  117    HB2  LEU  13           HB2      LEU  13   6.629   2.500  -2.307
  118    HB3  LEU  13           HB1      LEU  13   7.178   1.636  -0.824
  119    HG   LEU  13           HG       LEU  13   4.401   2.427  -1.598
  120   HD11  LEU  13          HD11      LEU  13   4.556  -0.385  -1.455
  121   HD12  LEU  13          HD12      LEU  13   6.073   0.143  -2.287
  122   HD13  LEU  13          HD13      LEU  13   4.472   0.658  -2.938
  123   HD21  LEU  13          HD21      LEU  13   5.456   0.885   0.849
  124   HD22  LEU  13          HD22      LEU  13   3.713   1.130   0.440
  125   HD23  LEU  13          HD23      LEU  13   4.766   2.569   0.828
  126    H    GLN  14           HN       GLN  14   6.565   4.482  -2.912
  127    HA   GLN  14           HA       GLN  14   9.397   4.776  -2.974
  128    HB2  GLN  14           HB2      GLN  14   7.411   6.407  -4.636
  129    HB3  GLN  14           HB1      GLN  14   9.137   6.089  -5.039
  130    HG2  GLN  14           HG2      GLN  14   6.796   4.201  -5.006
  131    HG3  GLN  14           HG1      GLN  14   7.835   4.624  -6.410
  132   HE21  GLN  14          HE21      GLN  14   7.203   2.571  -3.830
  133   HE22  GLN  14          HE22      GLN  14   8.652   1.604  -3.836
  134    H    ARG  15           HN       ARG  15   6.738   6.425  -1.717
  135    HA   ARG  15           HA       ARG  15   8.360   8.838  -1.511
  136    HB2  ARG  15           HB2      ARG  15   5.628   8.779  -0.233
  137    HB3  ARG  15           HB1      ARG  15   6.422  10.098  -1.161
  138    HG2  ARG  15           HG2      ARG  15   5.572   9.387  -3.172
  139    HG3  ARG  15           HG1      ARG  15   5.692   7.643  -2.729
  140    HD2  ARG  15           HD2      ARG  15   3.292   8.420  -2.900
  141    HD3  ARG  15           HD1      ARG  15   3.737   7.834  -1.239
  142    HE   ARG  15           HE       ARG  15   3.489  10.057  -0.425
  143   HH11  ARG  15          HH11      ARG  15   3.496   9.975  -3.996
  144   HH12  ARG  15          HH12      ARG  15   3.053  11.638  -4.187
  145   HH21  ARG  15          HH21      ARG  15   2.895  12.321  -0.696
  146   HH22  ARG  15          HH22      ARG  15   2.706  12.991  -2.282
  147    H    LYS  16           HN       LYS  16   6.899   6.094   0.076
  148    HA   LYS  16           HA       LYS  16   6.950   5.247   2.089
  149    HB2  LYS  16           HB2      LYS  16   9.287   7.182   2.311
  150    HB3  LYS  16           HB1      LYS  16   8.723   6.314   3.769
  151    HG2  LYS  16           HG2      LYS  16  10.118   4.632   3.184
  152    HG3  LYS  16           HG1      LYS  16   8.984   4.273   1.835
  153    HD2  LYS  16           HD2      LYS  16  10.238   5.803   0.333
  154    HD3  LYS  16           HD1      LYS  16  11.345   6.249   1.677
  155    HE2  LYS  16           HE2      LYS  16  11.030   3.329   0.728
  156    HE3  LYS  16           HE1      LYS  16  12.230   4.474  -0.006
  157    HZ1  LYS  16           HZ1      LYS  16  13.547   4.156   1.695
  158    HZ2  LYS  16           HZ2      LYS  16  12.490   2.968   2.293
  159    HZ3  LYS  16           HZ3      LYS  16  12.347   4.576   2.820
  160    H    LYS  17           HN       LYS  17   5.495   7.646   1.230
  161    HA   LYS  17           HA       LYS  17   4.203   9.236   1.939
  162    HB2  LYS  17           HB2      LYS  17   4.070   7.223   4.094
  163    HB3  LYS  17           HB1      LYS  17   3.789   8.883   4.733
  164    HG2  LYS  17           HG2      LYS  17   2.299   7.496   2.444
  165    HG3  LYS  17           HG1      LYS  17   1.646   7.906   4.069
  166    HD2  LYS  17           HD2      LYS  17   1.030   9.962   3.328
  167    HD3  LYS  17           HD1      LYS  17   2.728  10.331   2.870
  168    HE2  LYS  17           HE2      LYS  17   2.386   9.216   0.649
  169    HE3  LYS  17           HE1      LYS  17   0.657   8.875   1.102
  170    HZ1  LYS  17           HZ1      LYS  17   1.676  11.624   1.302
  171    HZ2  LYS  17           HZ2      LYS  17   0.113  11.051   0.962
  172    HZ3  LYS  17           HZ3      LYS  17   1.321  10.981  -0.230
  Start of MODEL   20
    1    H1   GLU   1           HT1      GLU   1   0.818 -10.479  -4.864
    2    H2   GLU   1           HT2      GLU   1   0.496  -9.624  -3.431
    3    H3   GLU   1           HT3      GLU   1   0.810  -8.780  -4.871
    4    HA   GLU   1           HA       GLU   1  -1.193  -9.326  -5.810
    5    HB2  GLU   1           HB2      GLU   1  -1.062 -11.772  -5.198
    6    HB3  GLU   1           HB1      GLU   1  -1.549 -11.346  -3.519
    7    HG2  GLU   1           HG2      GLU   1  -3.758 -10.500  -4.343
    8    HG3  GLU   1           HG1      GLU   1  -3.274 -10.865  -6.046
    9    H    MET   2           HN       MET   2  -1.861  -7.209  -5.332
   10    HA   MET   2           HA       MET   2  -3.350  -6.994  -2.845
   11    HB2  MET   2           HB2      MET   2  -0.988  -5.350  -3.628
   12    HB3  MET   2           HB1      MET   2  -2.424  -4.405  -3.110
   13    HG2  MET   2           HG2      MET   2  -0.562  -6.157  -1.526
   14    HG3  MET   2           HG1      MET   2  -1.366  -4.614  -1.104
   15    HE1  MET   2           HE1      MET   2  -3.796  -4.610  -1.642
   16    HE2  MET   2           HE2      MET   2  -4.595  -4.984  -0.078
   17    HE3  MET   2           HE3      MET   2  -4.939  -5.988  -1.532
   18    H    ARG   3           HN       ARG   3  -4.379  -4.565  -3.011
   19    HA   ARG   3           HA       ARG   3  -5.709  -4.626  -5.531
   20    HB2  ARG   3           HB2      ARG   3  -6.866  -5.478  -3.328
   21    HB3  ARG   3           HB1      ARG   3  -6.818  -3.721  -2.904
   22    HG2  ARG   3           HG2      ARG   3  -7.975  -4.485  -5.597
   23    HG3  ARG   3           HG1      ARG   3  -8.954  -4.852  -4.131
   24    HD2  ARG   3           HD2      ARG   3  -7.730  -2.161  -3.958
   25    HD3  ARG   3           HD1      ARG   3  -8.771  -2.330  -5.446
   26    HE   ARG   3           HE       ARG   3 -10.197  -3.458  -3.217
   27   HH11  ARG   3          HH11      ARG   3  -8.940  -0.357  -4.431
   28   HH12  ARG   3          HH12      ARG   3 -10.161   0.613  -3.676
   29   HH21  ARG   3          HH21      ARG   3 -11.861  -2.144  -2.189
   30   HH22  ARG   3          HH22      ARG   3 -11.851  -0.423  -2.379
   31    H    LEU   4           HN       LEU   4  -4.252  -3.094  -2.926
   32    HA   LEU   4           HA       LEU   4  -5.162  -0.520  -3.442
   33    HB2  LEU   4           HB2      LEU   4  -2.513  -0.675  -2.363
   34    HB3  LEU   4           HB1      LEU   4  -3.968  -0.023  -1.600
   35    HG   LEU   4           HG       LEU   4  -3.345  -2.919  -1.785
   36   HD11  LEU   4          HD11      LEU   4  -2.947  -1.932   0.886
   37   HD12  LEU   4          HD12      LEU   4  -2.015  -0.905  -0.291
   38   HD13  LEU   4          HD13      LEU   4  -1.772  -2.694  -0.269
   39   HD21  LEU   4          HD21      LEU   4  -4.986  -2.797   0.335
   40   HD22  LEU   4          HD22      LEU   4  -5.622  -2.866  -1.361
   41   HD23  LEU   4          HD23      LEU   4  -5.533  -1.283  -0.486
   42    H    SER   5           HN       SER   5  -2.475  -2.451  -3.861
   43    HA   SER   5           HA       SER   5  -0.483  -1.215  -4.637
   44    HB2  SER   5           HB2      SER   5   0.337  -3.187  -5.085
   45    HB3  SER   5           HB1      SER   5  -1.332  -3.720  -4.595
   46    HG   SER   5           HG       SER   5  -0.473  -3.162  -7.274
   47    H    LYS   6           HN       LYS   6  -3.137  -0.698  -6.587
   48    HA   LYS   6           HA       LYS   6  -1.448   0.225  -8.754
   49    HB2  LYS   6           HB2      LYS   6  -4.364   0.980  -8.060
   50    HB3  LYS   6           HB1      LYS   6  -3.496   1.360  -9.589
   51    HG2  LYS   6           HG2      LYS   6  -4.237  -1.472  -8.619
   52    HG3  LYS   6           HG1      LYS   6  -5.151  -0.517  -9.836
   53    HD2  LYS   6           HD2      LYS   6  -3.098  -0.454 -11.297
   54    HD3  LYS   6           HD1      LYS   6  -2.224  -1.456 -10.087
   55    HE2  LYS   6           HE2      LYS   6  -3.889  -3.313 -10.418
   56    HE3  LYS   6           HE1      LYS   6  -4.760  -2.303 -11.645
   57    HZ1  LYS   6           HZ1      LYS   6  -3.366  -3.080 -13.119
   58    HZ2  LYS   6           HZ2      LYS   6  -2.467  -3.913 -11.943
   59    HZ3  LYS   6           HZ3      LYS   6  -2.073  -2.308 -12.335
   60    H    PHE   7           HN       PHE   7  -1.793   0.409  -5.508
   61    HA   PHE   7           HA       PHE   7  -2.196   3.162  -4.997
   62    HB2  PHE   7           HB2      PHE   7  -3.196   1.212  -3.956
   63    HB3  PHE   7           HB1      PHE   7  -1.686   0.778  -3.201
   64    HD1  PHE   7           HD1      PHE   7  -4.638   1.480  -2.465
   65    HD2  PHE   7           HD2      PHE   7  -0.864   3.322  -2.354
   66    HE1  PHE   7           HE1      PHE   7  -5.083   2.380  -0.295
   67    HE2  PHE   7           HE2      PHE   7  -1.141   4.252  -0.366
   68    HZ   PHE   7           HZ       PHE   7  -3.398   3.881   0.867
   69    H    PHE   8           HN       PHE   8  -0.226   0.571  -3.655
   70    HA   PHE   8           HA       PHE   8   1.157   2.647  -2.322
   71    HB2  PHE   8           HB2      PHE   8   2.573   0.526  -1.561
   72    HB3  PHE   8           HB1      PHE   8   1.023   0.876  -0.754
   73    HD1  PHE   8           HD1      PHE   8   3.033  -1.184  -2.239
   74    HD2  PHE   8           HD2      PHE   8  -0.939  -0.127  -1.701
   75    HE1  PHE   8           HE1      PHE   8   2.448  -3.298  -2.897
   76    HE2  PHE   8           HE2      PHE   8  -1.572  -2.302  -2.401
   77    HZ   PHE   8           HZ       PHE   8   0.124  -3.905  -2.954
   78    H    ARG   9           HN       ARG   9   1.101   0.121  -4.368
   79    HA   ARG   9           HA       ARG   9   3.781   0.087  -4.796
   80    HB2  ARG   9           HB2      ARG   9   1.300  -1.061  -5.809
   81    HB3  ARG   9           HB1      ARG   9   2.600  -0.916  -7.068
   82    HG2  ARG   9           HG2      ARG   9   3.164  -2.210  -4.364
   83    HG3  ARG   9           HG1      ARG   9   2.321  -3.153  -5.639
   84    HD2  ARG   9           HD2      ARG   9   4.987  -1.693  -6.151
   85    HD3  ARG   9           HD1      ARG   9   4.909  -3.402  -5.531
   86    HE   ARG   9           HE       ARG   9   3.199  -3.264  -7.806
   87   HH11  ARG   9          HH11      ARG   9   6.629  -2.825  -6.955
   88   HH12  ARG   9          HH12      ARG   9   7.237  -3.333  -8.496
   89   HH21  ARG   9          HH21      ARG   9   4.023  -3.955  -9.902
   90   HH22  ARG   9          HH22      ARG   9   5.728  -3.986 -10.200
   91    H    ASP  10           HN       ASP  10   1.413   2.136  -5.017
   92    HA   ASP  10           HA       ASP  10   2.626   3.224  -7.255
   93    HB2  ASP  10           HB2      ASP  10   0.461   2.214  -7.459
   94    HB3  ASP  10           HB1      ASP  10  -0.124   3.674  -6.582
   95    H    DPN  11           HN       DPN  11   2.238   3.670  -3.961
   96    HA   DPN  11           HA       DPN  11   1.919   6.525  -4.420
   97    HB2  DPN  11           HB1      DPN  11   4.423   6.286  -3.176
   98    HB3  DPN  11           HB2      DPN  11   4.083   7.002  -4.792
   99    HD1  DPN  11           HD1      DPN  11   4.449   5.572  -6.786
  100    HD2  DPN  11           HD2      DPN  11   4.858   4.466  -2.811
  101    HE1  DPN  11           HE1      DPN  11   4.871   3.226  -7.399
  102    HE2  DPN  11           HE2      DPN  11   5.260   2.287  -3.375
  103    HZ   DPN  11           HZ       DPN  11   5.176   1.732  -5.527
  104    H    ILE  12           HN       ILE  12   3.819   4.859  -2.005
  105    HA   ILE  12           HA       ILE  12   3.229   6.706  -0.048
  106    HB   ILE  12           HB       ILE  12   2.367   4.592   1.391
  107   HG12  ILE  12          HG12      ILE  12   0.581   3.513   0.077
  108   HG13  ILE  12          HG11      ILE  12   1.127   4.434  -1.387
  109   HG21  ILE  12          HG21      ILE  12   0.845   6.230   1.921
  110   HG22  ILE  12          HG22      ILE  12   0.005   5.933   0.352
  111   HG23  ILE  12          HG23      ILE  12   1.326   7.151   0.446
  112   HD11  ILE  12          HD11      ILE  12   2.192   2.077  -0.372
  113   HD12  ILE  12          HD12      ILE  12   3.347   3.323  -0.039
  114   HD13  ILE  12          HD13      ILE  12   2.799   3.105  -1.727
  115    H    LEU  13           HN       LEU  13   4.820   4.255  -1.644
  116    HA   LEU  13           HA       LEU  13   6.547   3.497   0.596
  117    HB2  LEU  13           HB2      LEU  13   6.598   2.440  -2.244
  118    HB3  LEU  13           HB1      LEU  13   7.124   1.597  -0.741
  119    HG   LEU  13           HG       LEU  13   4.363   2.404  -1.555
  120   HD11  LEU  13          HD11      LEU  13   4.422   0.613  -2.862
  121   HD12  LEU  13          HD12      LEU  13   4.494  -0.409  -1.360
  122   HD13  LEU  13          HD13      LEU  13   6.014   0.095  -2.197
  123   HD21  LEU  13          HD21      LEU  13   3.640   1.153   0.497
  124   HD22  LEU  13          HD22      LEU  13   4.710   2.581   0.871
  125   HD23  LEU  13          HD23      LEU  13   5.378   0.888   0.924
  126    H    GLN  14           HN       GLN  14   6.569   4.404  -2.886
  127    HA   GLN  14           HA       GLN  14   9.403   4.661  -2.930
  128    HB2  GLN  14           HB2      GLN  14   7.452   6.291  -4.634
  129    HB3  GLN  14           HB1      GLN  14   9.176   5.943  -5.019
  130    HG2  GLN  14           HG2      GLN  14   6.809   4.090  -4.973
  131    HG3  GLN  14           HG1      GLN  14   7.866   4.473  -6.375
  132   HE21  GLN  14          HE21      GLN  14   7.179   2.471  -3.769
  133   HE22  GLN  14          HE22      GLN  14   8.615   1.485  -3.745
  134    H    ARG  15           HN       ARG  15   6.759   6.367  -1.725
  135    HA   ARG  15           HA       ARG  15   8.414   8.759  -1.539
  136    HB2  ARG  15           HB2      ARG  15   5.666   8.762  -0.297
  137    HB3  ARG  15           HB1      ARG  15   6.491  10.056  -1.235
  138    HG2  ARG  15           HG2      ARG  15   5.649   9.330  -3.243
  139    HG3  ARG  15           HG1      ARG  15   5.749   7.590  -2.780
  140    HD2  ARG  15           HD2      ARG  15   3.358   8.392  -2.989
  141    HD3  ARG  15           HD1      ARG  15   3.776   7.805  -1.323
  142    HE   ARG  15           HE       ARG  15   3.533  10.028  -0.514
  143   HH11  ARG  15          HH11      ARG  15   3.611   9.954  -4.085
  144   HH12  ARG  15          HH12      ARG  15   3.146  11.611  -4.279
  145   HH21  ARG  15          HH21      ARG  15   2.901  12.276  -0.790
  146   HH22  ARG  15          HH22      ARG  15   2.737  12.951  -2.376
  147    H    LYS  16           HN       LYS  16   6.884   6.065   0.076
  148    HA   LYS  16           HA       LYS  16   6.888   5.258   2.104
  149    HB2  LYS  16           HB2      LYS  16   9.288   7.107   2.277
  150    HB3  LYS  16           HB1      LYS  16   8.673   6.357   3.780
  151    HG2  LYS  16           HG2      LYS  16   9.990   4.577   3.308
  152    HG3  LYS  16           HG1      LYS  16   8.839   4.191   1.982
  153    HD2  LYS  16           HD2      LYS  16  10.897   4.250   0.849
  154    HD3  LYS  16           HD1      LYS  16  10.246   5.901   0.556
  155    HE2  LYS  16           HE2      LYS  16  11.689   6.829   2.364
  156    HE3  LYS  16           HE1      LYS  16  12.289   5.166   2.768
  157    HZ1  LYS  16           HZ1      LYS  16  13.533   6.794   1.136
  158    HZ2  LYS  16           HZ2      LYS  16  12.519   6.052  -0.007
  159    HZ3  LYS  16           HZ3      LYS  16  13.563   5.108   0.945
  160    H    LYS  17           HN       LYS  17   5.502   7.670   1.182
  161    HA   LYS  17           HA       LYS  17   4.258   9.320   1.834
  162    HB2  LYS  17           HB2      LYS  17   3.947   7.297   3.948
  163    HB3  LYS  17           HB1      LYS  17   3.728   8.955   4.617
  164    HG2  LYS  17           HG2      LYS  17   2.247   7.690   2.255
  165    HG3  LYS  17           HG1      LYS  17   1.561   8.117   3.860
  166    HD2  LYS  17           HD2      LYS  17   1.068  10.199   3.100
  167    HD3  LYS  17           HD1      LYS  17   2.807  10.498   2.762
  168    HE2  LYS  17           HE2      LYS  17   1.855  10.828   0.632
  169    HE3  LYS  17           HE1      LYS  17   2.325   9.078   0.537
  170    HZ1  LYS  17           HZ1      LYS  17  -0.089   8.850   1.556
  171    HZ2  LYS  17           HZ2      LYS  17   0.198   8.956  -0.115
  172    HZ3  LYS  17           HZ3      LYS  17  -0.312  10.326   0.747