*HEADER    SIGNALING PROTEIN                       16-AUG-06   2I2H              
*TITLE     NMR STRUCTURE OF TPC3 IN TFE                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SIGNALING PEPTIDE TCP3;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: COMPETENCE STIMULATING PEPTIDE;                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: MUTATED ORGANISM, THE SEQUENCE OF THIS                
*SOURCE   4 PEPTIDE CAN BE FOUND IN STREPTOCOCCUS MUTANTS JH1005                 
*KEYWDS    HELIX                                                                 
*EXPDTA    NMR, 22 STRUCTURES                                                    
*AUTHOR    R.T.SYVITSKI, D.L.JAKEMAN, Y.LI                                       
*REVDAT   1   17-OCT-06 2I2H    0                                                


! intra-residue NOE's for TPC3
assign ( resid    2 and name  HA1 )( resid    2 and name   HN ) 5.00 0.75  0.85 
assign ( resid    2 and name  HA2 )( resid    2 and name   HN ) 5.00 0.75  0.85 
assign ( resid    2 and name  HA1 )( resid    2 and name  HA2 ) 2.00 0.30  0.50 
assign ( resid    3 and name   HA )( resid    3 and name   HN ) 2.50 0.50  0.75 
assign ( resid    3 and name   HN )( resid    3 and name   HB ) 3.50 0.60  0.75 
assign ( resid    3 and name   HN )( resid    3 and name HG2# ) 3.75 0.68  0.80 
assign ( resid    3 and name   HA )( resid    3 and name   HB ) 2.00 0.30  0.50 
assign ( resid    3 and name   HA )( resid    3 and name HG2# ) 2.25 0.40  0.62 
assign ( resid    3 and name HG2# )( resid    3 and name   HB ) 4.00 0.75  0.85 
assign ( resid    4 and name   HN )( resid    4 and name   HA ) 3.00 0.60  0.75 
assign ( resid    4 and name   HN )( resid    4 and name  HB2 ) 3.50 0.60  0.75 
assign ( resid    4 and name  HB1 )( resid    4 and name   HA ) 3.00 0.60  0.75 
assign ( resid    4 and name   HA )( resid    4 and name  HB2 ) 2.50 0.50  0.75 
assign ( resid    4 and name   HA )( resid    4 and name HD1# ) 3.75 0.68  0.80 
assign ( resid    4 and name   HA )( resid    4 and name HD2# ) 3.50 0.60  0.75 
assign ( resid    4 and name HD1# )( resid    4 and name  HB1 ) 3.50 0.60  0.75 
assign ( resid    4 and name  HB1 )( resid    4 and name HD2# ) 3.50 0.60  0.75 
assign ( resid    4 and name  HB2 )( resid    4 and name HD1# ) 2.50 0.50  0.75 
assign ( resid    4 and name  HB2 )( resid    4 and name HD2# ) 2.75 0.55  0.75 
assign ( resid    4 and name HD1# )( resid    4 and name HD2# ) 1.70 0.00  0.50 
assign ( resid    5 and name   HN )( resid    5 and name   HA ) 3.50 0.60  0.75 
assign ( resid    5 and name   HN )( resid    5 and name  HB1 ) 5.00 0.75  0.85
assign ( resid    5 and name   HN )( resid    5 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid    5 and name   HA )( resid    5 and name  HB1 ) 3.00 0.60  0.75 
assign ( resid    5 and name   HA )( resid    5 and name  HB2 ) 2.50 0.50  0.75 
assign ( resid    6 and name   HN )( resid    6 and name   HA ) 2.50 0.50  0.75 
assign ( resid    6 and name   HN )( resid    6 and name   HB ) 2.75 0.55  0.75 
assign ( resid    6 and name   HN )( resid    6 and name HG2# ) 5.00 0.75  0.85 
assign ( resid    6 and name   HA )( resid    6 and name   HB ) 2.50 0.50  0.75 
assign ( resid    6 and name   HA )( resid    6 and name HG2# ) 3.50 0.60  0.75 
assign ( resid    6 and name   HB )( resid    6 and name HG2# ) 2.25 0.40  0.62 
assign ( resid    7 and name   HN )( resid    7 and name   HA ) 2.00 0.30  0.50 
assign ( resid    7 and name   HN )( resid    7 and name  HB# ) 2.25 0.40  0.62 
assign ( resid    7 and name   HN )( resid    7 and name  HD# ) 4.00 0.75  0.85 
assign ( resid    7 and name  HE# )( resid    7 and name   HN ) 5.00 0.75  0.85 
assign ( resid    7 and name   HA )( resid    7 and name  HB# ) 2.00 0.30  0.50 
assign ( resid    7 and name   HA )( resid    7 and name  HD# ) 2.50 0.50  0.75 
assign ( resid    7 and name   HA )( resid    7 and name  HE# ) 5.00 0.75  0.85 
assign ( resid    7 and name  HB# )( resid    7 and name  HD# ) 2.50 0.50  0.75
assign ( resid    7 and name  HE# )( resid    7 and name  HB# ) 4.00 0.75  0.85 
assign ( resid    7 and name  HD# )( resid    7 and name  HE# ) 2.10 0.25  0.62 
assign ( resid    8 and name   HN )( resid    8 and name   HA ) 2.50 0.50  0.75 
assign ( resid    8 and name   HN )( resid    8 and name  HB# ) 2.25 0.40  0.62 
assign ( resid    8 and name   HN )( resid    8 and name  HD# ) 4.00 0.75  0.85 
assign ( resid    8 and name   HA )( resid    8 and name  HB# ) 1.85 0.15  0.50 
assign ( resid    8 and name   HA )( resid    8 and name  HD# ) 2.50 0.50  0.75 
assign ( resid    8 and name  HB# )( resid    8 and name  HD# ) 2.50 0.50  0.75 
assign ( resid    8 and name  HB# )( resid    8 and name  HE# ) 5.00 0.75  0.85 
assign ( resid    8 and name  HD# )( resid    8 and name  HE# ) 2.25 0.40  0.62 
assign ( resid    9 and name   HN )( resid    9 and name   HA ) 3.00 0.60  0.75 
assign ( resid    9 and name   HN )( resid    9 and name  HB1 ) 3.50 0.60  0.75 
assign ( resid    9 and name   HN )( resid    9 and name  HB2 ) 3.00 0.60  0.75 
assign ( resid    9 and name   HN )( resid    9 and name  HG# ) 4.00 0.75  0.85 
assign ( resid    9 and name   HN )( resid    9 and name  HD# ) 4.00 0.75  0.85 
assign ( resid    9 and name   HA )( resid    9 and name  HB1 ) 3.00 0.60  0.75 
assign ( resid    9 and name   HA )( resid    9 and name  HB2 ) 2.50 0.50  0.75 
assign ( resid    9 and name   HA )( resid    9 and name  HG# ) 3.25 0.60  0.75 
assign ( resid    9 and name   HA )( resid    9 and name  HD# ) 3.00 0.60  0.75 
assign ( resid    9 and name  HB1 )( resid    9 and name  HD# ) 3.00 0.60  0.75 
assign ( resid    9 and name  HB2 )( resid    9 and name  HG# ) 2.50 0.50  0.75 
assign ( resid    9 and name  HB2 )( resid    9 and name  HD# ) 2.50 0.50  0.75 
assign ( resid    9 and name  HG# )( resid    9 and name  HD# ) 2.50 0.50  0.75 
assign ( resid   10 and name   HN )( resid   10 and name   HA ) 3.25 0.60  0.75 
assign ( resid   10 and name   HN )( resid   10 and name  HB1 ) 3.75 0.68  0.80 
assign ( resid   10 and name   HN )( resid   10 and name  HB2 ) 3.75 0.68  0.80 
assign ( resid   10 and name   HN )( resid   10 and name   HG ) 3.75 0.68  0.80 
assign ( resid   10 and name HD1# )( resid   10 and name   HN ) 4.00 0.75  0.85 
assign ( resid   10 and name HD2# )( resid   10 and name   HN ) 4.00 0.75  0.85 
assign ( resid   10 and name  HB1 )( resid   10 and name   HA ) 3.00 0.60  0.75 
assign ( resid   10 and name   HA )( resid   10 and name  HB2 ) 3.50 0.60  0.75 
assign ( resid   10 and name   HA )( resid   10 and name   HG ) 3.00 0.60  0.75 
assign ( resid   10 and name   HA )( resid   10 and name HD1# ) 2.50 0.50  0.75 
assign ( resid   10 and name   HA )( resid   10 and name HD2# ) 3.00 0.60  0.75 
assign ( resid   10 and name  HB1 )( resid   10 and name   HG ) 3.75 0.68  0.80 
assign ( resid   10 and name  HB1 )( resid   10 and name HD1# ) 3.50 0.60  0.75 
assign ( resid   10 and name  HB1 )( resid   10 and name HD2# ) 3.25 0.60  0.75 
assign ( resid   10 and name  HB2 )( resid   10 and name   HG ) 3.00 0.60  0.75 
assign ( resid   10 and name  HB2 )( resid   10 and name HD1# ) 5.00 0.75  0.85 
assign ( resid   10 and name HD2# )( resid   10 and name  HB2 ) 3.50 0.60  0.75 
assign ( resid   10 and name   HG )( resid   10 and name HD1# ) 3.00 0.75  0.85 
assign ( resid   10 and name   HG )( resid   10 and name HD2# ) 3.75 0.68  0.80 
assign ( resid   11 and name   HN )( resid   11 and name   HA ) 3.00 0.60  0.75 
assign ( resid   11 and name   HN )( resid   11 and name  HB1 ) 3.00 0.60  0.75 
assign ( resid   11 and name   HN )( resid   11 and name  HB2 ) 3.50 0.60  0.75 
assign ( resid   11 and name   HN )( resid   11 and name  HD# ) 3.75 0.68  0.80 
assign ( resid   11 and name  HE# )( resid   11 and name   HN ) 5.00 0.75  0.85 
assign ( resid   11 and name   HA )( resid   11 and name  HB1 ) 2.75 0.55  0.75 
assign ( resid   11 and name   HA )( resid   11 and name  HB2 ) 3.00 0.60  0.75 
assign ( resid   11 and name   HA )( resid   11 and name  HD# ) 3.00 0.60  0.75 
assign ( resid   11 and name  HE# )( resid   11 and name   HA ) 5.00 0.75  0.85 
assign ( resid   11 and name  HB1 )( resid   11 and name  HB2 ) 2.50 0.50  0.75 
assign ( resid   11 and name  HB1 )( resid   11 and name  HD# ) 3.00 0.60  0.75 
assign ( resid   11 and name  HB1 )( resid   11 and name  HE# ) 5.00 0.75  0.85 
assign ( resid   11 and name  HB2 )( resid   11 and name  HD# ) 3.25 0.60  0.75 
assign ( resid   11 and name  HB2 )( resid   11 and name  HE# ) 5.00 0.75  0.85 
assign ( resid   11 and name  HD# )( resid   11 and name  HE# ) 3.25 0.60  0.75 
assign ( resid   12 and name   HN )( resid   12 and name   HA ) 3.25 0.60  0.75 
assign ( resid   12 and name   HN )( resid   12 and name  HB1 ) 3.50 0.60  0.75 
assign ( resid   12 and name   HN )( resid   12 and name  HB2 ) 3.75 0.68  0.80 
assign ( resid   12 and name   HA )( resid   12 and name  HB1 ) 3.00 0.60  0.75 
assign ( resid   12 and name   HA )( resid   12 and name  HB2 ) 2.75 0.55  0.75 
assign ( resid   13 and name   HA )( resid   13 and name   HN ) 5.00 0.75  0.85 
assign ( resid   13 and name  HB1 )( resid   13 and name   HN ) 5.00 0.75  0.85 
assign ( resid   13 and name  HB2 )( resid   13 and name   HN ) 5.00 0.75  0.85 
assign ( resid   13 and name   HA )( resid   13 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid   13 and name   HA )( resid   13 and name  HG# ) 4.00 0.75  0.85 
assign ( resid   14 and name   HN )( resid   14 and name   HA ) 4.00 0.75  0.85 
assign ( resid   14 and name   HN )( resid   14 and name  HB1 ) 5.00 0.75  0.85 
assign ( resid   14 and name   HN )( resid   14 and name  HB2 ) 4.00 0.75  0.85 
assign ( resid   14 and name   HA )( resid   14 and name  HB1 ) 2.50 0.50  0.75 
assign ( resid   14 and name   HA )( resid   14 and name  HB2 ) 2.50 0.50  0.75 
assign ( resid   15 and name   HN )( resid   15 and name   HA ) 3.50 0.60  0.75 
assign ( resid   15 and name   HN )( resid   15 and name  HB1 ) 3.75 0.68  0.80 
assign ( resid   15 and name   HN )( resid   15 and name  HB2 ) 4.00 0.75  0.85 
assign ( resid   15 and name  HD# )( resid   15 and name   HN ) 4.00 0.75  0.85 
assign ( resid   15 and name   HA )( resid   15 and name  HB1 ) 3.00 0.60  0.75 
assign ( resid   15 and name   HA )( resid   15 and name  HB2 ) 2.75 0.55  0.75 
assign ( resid   15 and name   HA )( resid   15 and name  HD# ) 3.50 0.60  0.75 
assign ( resid   15 and name   HA )( resid   15 and name  HE# ) 5.00 0.75  0.85 
assign ( resid   15 and name  HB1 )( resid   15 and name  HB2 ) 2.00 0.30  0.50 
assign ( resid   15 and name  HD# )( resid   15 and name  HB1 ) 3.50 0.60  0.75 
assign ( resid   15 and name  HB1 )( resid   15 and name  HE# ) 5.00 0.75  0.85 
assign ( resid   15 and name  HB2 )( resid   15 and name  HD# ) 3.50 0.60  0.75 
assign ( resid   15 and name  HB2 )( resid   15 and name  HE# ) 5.00 0.75  0.85 
assign ( resid   15 and name  HD# )( resid   15 and name  HE# ) 1.85 0.15  0.50 
assign ( resid   16 and name   HN )( resid   16 and name   HA ) 3.00 0.60  0.75 
assign ( resid   16 and name   HB )( resid   16 and name   HN ) 4.00 0.75  0.85 
assign ( resid   16 and name   HN )( resid   16 and name HG2# ) 3.75 0.68  0.80 
assign ( resid   16 and name   HA )( resid   16 and name HG2# ) 1.85 0.15  0.50 
assign ( resid   16 and name HG2# )( resid   16 and name   HB ) 2.00 0.30  0.50 
assign ( resid   17 and name   HN )( resid   17 and name   HA ) 5.00 0.75  0.85 
assign ( resid   17 and name   HA )( resid   17 and name  HB1 ) 2.50 0.50  0.75 
assign ( resid   17 and name   HA )( resid   17 and name  HB2 ) 2.00 0.30  0.50 
assign ( resid   17 and name   HA )( resid   17 and name  HG1 ) 3.50 0.60  0.75 
assign ( resid   17 and name   HA )( resid   17 and name  HG2 ) 3.50 0.60  0.75 
assign ( resid   17 and name  HB1 )( resid   17 and name  HG1 ) 3.00 0.60  0.75 
assign ( resid   17 and name  HB1 )( resid   17 and name  HG2 ) 3.00 0.60  0.75 
assign ( resid   17 and name  HB2 )( resid   17 and name  HG1 ) 3.25 0.60  0.75 
assign ( resid   17 and name  HB2 )( resid   17 and name  HG2 ) 3.50 0.60  0.75 
assign ( resid   18 and name   HA )( resid   18 and name  HB# ) 2.25 0.40  0.62 
! inter-residue NOE's for TPC3
assign ( resid  3 and name HA   )( resi  4 and  name HN    )    3.6  0.2  0.2
assign ( resid  4 and name HB2  )( resi  3 and  name HA    )      4 0.75 0.85
assign ( resid  4 and name HB2  )( resi  3 and  name HB    )   4.75 0.75 0.85
assign ( resid  4 and name HD1# )( resi  3 and  name HA    )   4.75 0.75 0.85
assign ( resid  4 and name HD2# )( resi  3 and  name HA    )   4.75 0.75 0.85
assign ( resid  4 and name HA   )( resi  5 and  name HN    )    3.6  0.2  0.2
assign ( resid  4 and name HB1  )( resi  5 and  name HN    )      4 0.75 0.85
assign ( resid  4 and name HB2  )( resi  5 and  name HN    )      3  0.6 0.75
assign ( resid  4 and name HD1# )( resi  5 and  name HN    )   4.75 0.75 0.85
assign ( resid  4 and name HD2# )( resi  5 and  name HN    )   4.75 0.75 0.85
assign ( resid  4 and name HN   )( resi  5 and  name HN    )    2.8  0.3  0.3
assign ( resid  4 and name HA   )( resi  7 and  name HB#   )   2.75 0.55 0.75
assign ( resid  4 and name HB2  )( resi  7 and  name HN    )   4.75 0.75 0.85
assign ( resid  4 and name HB2  )( resi  7 and  name HD#   )   4.75 0.75 0.85
assign ( resid  4 and name HD1# )( resi  7 and  name HB#   )   4.75 0.75 0.85
assign ( resid  4 and name HD1# )( resi  7 and  name HD#   )   4.75 0.75 0.85
assign ( resid  4 and name HD2# )( resi  7 and  name HB#   )   4.75 0.75 0.85
assign ( resid  4 and name HD1# )( resi  8 and  name HD#   )   4.75 0.75 0.85
assign ( resid  4 and name HD1# )( resi  8 and  name HE#   )   4.75 0.75 0.85
assign ( resid  5 and name HB2  )( resi  4 and  name HN    )   4.75 0.75 0.85
assign ( resid  5 and name HA   )( resi  6 and  name HN    )    3.6  0.2  0.2
assign ( resid  5 and name HN   )( resi  6 and  name HN    )    2.8  0.3  0.3
assign ( resid  6 and name HB   )( resi  7 and  name HN    )      4 0.75 0.85
assign ( resid  6 and name HG2# )( resi  7 and  name HN    )    3.5  0.6 0.75
assign ( resid  6 and name HN   )( resi  7 and  name HB#   )      4 0.75 0.85
assign ( resid  6 and name HB   )( resi  9 and  name HN    )      4 0.75 0.85
assign ( resid  6 and name HB   )( resi  9 and  name HB1   )   4.75 0.75 0.85
assign ( resid  6 and name HB   )( resi  9 and  name HB2   )   3.75 0.68  0.8
assign ( resid  6 and name HB   )( resi  9 and  name HG#   )   4.75 0.75 0.85
assign ( resid  6 and name HB   )( resi  9 and  name HD#   )    3.5  0.6 0.75
assign ( resid  6 and name HG2# )( resi  9 and  name HN    )   4.75 0.75 0.85
assign ( resid  6 and name HG2# )( resi  9 and  name HB2   )   4.75 0.75 0.85
assign ( resid  6 and name HG2# )( resi  9 and  name HD#   )   4.75 0.75 0.85
assign ( resid  6 and name HN   )( resi  9 and  name HN    )   4.75 0.25 0.25
assign ( resid  6 and name HB   )( resi 10 and  name HN    )   4.38 0.75 0.85
assign ( resid  6 and name HG2# )( resi 10 and  name HN    )   4.75 0.75 0.85
assign ( resid  6 and name HG2# )( resi 10 and  name HB1   )   4.38 0.75 0.85
assign ( resid  6 and name HG2# )( resi 10 and  name HG    )   4.75 0.75 0.85
assign ( resid  6 and name HG2# )( resi 10 and  name HD2#  )   3.25  0.6 0.75
assign ( resid  7 and name HB#  )( resi  4 and  name HN    )   4.75 0.75 0.85
assign ( resid  7 and name HD#  )( resi  4 and  name HA    )      4 0.75 0.85
assign ( resid  7 and name HD#  )( resi  4 and  name HD2#  )   4.75 0.75 0.85
assign ( resid  7 and name HN   )( resi  4 and  name HN    )   4.75  0.3  0.3
assign ( resid  7 and name HN   )( resi  4 and  name HD2#  )   4.75 0.75 0.85
assign ( resid  7 and name HN   )( resi  6 and  name HN    )    2.8  0.3  0.3
assign ( resid  7 and name HA   )( resi  8 and  name HE#   )   4.75 0.75 0.85
assign ( resid  7 and name HA   )( resi  8 and  name HN    )    3.6  0.2  0.2
assign ( resid  7 and name HB#  )( resi  8 and  name HN    )    3.5  0.6 0.75
assign ( resid  7 and name HD#  )( resi  8 and  name HN    )   4.38 0.75 0.85
assign ( resid  7 and name HN   )( resi  8 and  name HN    )    2.8  0.3  0.3
assign ( resid  7 and name HN   )( resi  8 and  name HB#   )   4.75 0.75 0.85
assign ( resid  7 and name HN   )( resi  9 and  name HN    )   4.45 0.25 0.25
assign ( resid  7 and name HA   )( resi 10 and  name HA    )    5.6  0.4  0.4
assign ( resid  7 and name HA   )( resi 10 and  name HB1   )   4.75 0.75 0.85
assign ( resid  7 and name HA   )( resi 10 and  name HB2   )   4.75 0.75 0.85
assign ( resid  7 and name HA   )( resi 10 and  name HG    )   4.38 0.75 0.85
assign ( resid  7 and name HA   )( resi 10 and  name HD1#  )   4.75 0.75 0.85
assign ( resid  7 and name HA   )( resi 10 and  name HD2#  )    3.5  0.6 0.75
assign ( resid  7 and name HA   )( resi 10 and  name HN    )    3.6  0.2  0.2
assign ( resid  7 and name HD#  )( resi 10 and  name HD1#  )   4.75 0.75 0.85
assign ( resid  7 and name HD#  )( resi 10 and  name HD2#  )   4.75 0.75 0.85
assign ( resid  7 and name HB#  )( resi 11 and  name HN    )   4.75 0.75 0.85
assign ( resid  8 and name HB#  )( resi  4 and  name HN    )   4.75 0.75 0.85
assign ( resid  8 and name HN   )( resi  4 and  name HN    )   5.75  0.3  0.3
assign ( resid  8 and name HN   )( resi  5 and  name HB2   )   4.75 0.75 0.85
assign ( resid  8 and name HD#  )( resi  7 and  name HA    )    2.5  0.5 0.75
assign ( resid  8 and name HD#  )( resi  7 and  name HN    )   4.75 0.75 0.85
assign ( resid  8 and name HD#  )( resi  7 and  name HB#   )   4.75 0.75 0.85
assign ( resid  8 and name HA   )( resi  9 and  name HB1   )   4.75 0.75 0.85
assign ( resid  8 and name HA   )( resi  9 and  name HB2   )   4.75 0.75 0.85
assign ( resid  8 and name HA   )( resi  9 and  name HN    )    3.6  0.2  0.2
assign ( resid  8 and name HB#  )( resi  9 and  name HN    )   3.75 0.68  0.8
assign ( resid  8 and name HD#  )( resi  9 and  name HA    )   4.75 0.75 0.85
assign ( resid  8 and name HD#  )( resi  9 and  name HN    )   4.75 0.75 0.85
assign ( resid  8 and name HD#  )( resi  9 and  name HB2   )   4.75 0.75 0.85
assign ( resid  8 and name HD#  )( resi  9 and  name HG#   )   4.75 0.75 0.85
assign ( resid  8 and name HN   )( resi  9 and  name HN    )    2.8  0.3  0.3
assign ( resid  8 and name HN   )( resi  9 and  name HB2   )   4.75 0.75 0.85
assign ( resid  8 and name HA   )( resi 11 and  name HB1   )   3.75 0.68  0.8
assign ( resid  8 and name HA   )( resi 11 and  name HB2   )    3.5  0.6 0.75
assign ( resid  8 and name HA   )( resi 11 and  name HN    )    3.6  0.2  0.2
assign ( resid  8 and name HB#  )( resi 11 and  name HN    )   4.75 0.75 0.85
assign ( resid  8 and name HB#  )( resi 11 and  name HN    )   4.75 0.75 0.85
assign ( resid  9 and name HB2  )( resi  6 and  name HA    )   4.75 0.75 0.85
assign ( resid  9 and name HB2  )( resi  6 and  name HA    )   3.25 0.75 0.85
assign ( resid  9 and name HB1  )( resi  8 and  name HN    )   4.75 0.75 0.85
assign ( resid  9 and name HD#  )( resi  8 and  name HD#   )   4.75 0.75 0.85
assign ( resid  9 and name HA   )( resi 10 and  name HN    )    3.6  0.2  0.2
assign ( resid  9 and name HB1  )( resi 10 and  name HN    )   4.75 0.75 0.85
assign ( resid  9 and name HB2  )( resi 10 and  name HN    )      4 0.75 0.85
assign ( resid  9 and name HD#  )( resi 10 and  name HN    )   4.75 0.75 0.85
assign ( resid  9 and name HG#  )( resi 10 and  name HN    )   4.75 0.75 0.85
assign ( resid  9 and name HN   )( resi 10 and  name HN    )    2.8  0.3  0.3
assign ( resid  9 and name HA   )( resi 12 and  name HB1   )   4.38 0.75 0.85
assign ( resid  9 and name HA   )( resi 12 and  name HB2   )   4.75 0.75 0.85
assign ( resid 10 and name HN   )( resi  6 and  name HA    )      4  0.1  0.3
assign ( resid 10 and name HD2# )( resi  7 and  name HN    )   4.75 0.75 0.85
assign ( resid 10 and name HB1  )( resi  9 and  name HN    )   4.75 0.75 0.85
assign ( resid 10 and name HB2  )( resi  9 and  name HN    )   4.75 0.75 0.85
assign ( resid 10 and name HD2# )( resi  9 and  name HN    )   4.75 0.75 0.85
assign ( resid 10 and name HA   )( resi 11 and  name HN    )    3.6  0.2  0.2
assign ( resid 10 and name HB2  )( resi 11 and  name HN    )   4.75 0.75 0.85
assign ( resid 10 and name HG   )( resi 11 and  name HN    )   4.38 0.75 0.85
assign ( resid 10 and name HN   )( resi 11 and  name HN    )    2.8  0.3  0.3
assign ( resid 10 and name HN   )( resi 11 and  name HB2   )   4.75 0.75 0.85
assign ( resid 11 and name HD#  )( resi 10 and  name HA    )   4.75 0.75 0.85
assign ( resid 11 and name HD#  )( resi 10 and  name HN    )   4.75 0.75 0.85
assign ( resid 11 and name HA   )( resi 12 and  name HN    )    3.6  0.2  0.2
assign ( resid 11 and name HB2  )( resi 12 and  name HN    )      4 0.75 0.85
assign ( resid 11 and name HD#  )( resi 12 and  name HA    )   4.38 0.75 0.85
assign ( resid 11 and name HN   )( resi 12 and  name HN    )    2.8  0.3  0.3
assign ( resid 12 and name HN   )( resi 11 and  name HB1   )      4 0.75 0.85
assign ( resid 12 and name HA   )( resi 13 and  name HA    )    4.9  0.3  0.3
assign ( resid 12 and name HN   )( resi 13 and  name HN    )    2.8  0.3  0.3
assign ( resid 12 and name HA   )( resi 15 and  name HB1   )   4.75 0.75 0.85
assign ( resid 12 and name HA   )( resi 15 and  name HB2   )   4.75 0.75 0.85
assign ( resid 12 and name HA   )( resi 15 and  name HD#   )   4.38 0.75 0.85
assign ( resid 12 and name HA   )( resi 15 and  name HE#   )   4.75 0.75 0.85
assign ( resid 12 and name HA   )( resi 15 and  name HN    )    3.6  0.2  0.2
assign ( resid 12 and name HA   )( resi 16 and  name HN    )      4  0.1  0.3
assign ( resid 13 and name HA   )( resi 14 and  name HN    )    3.6  0.2  0.2
assign ( resid 13 and name HB1  )( resi 14 and  name HN    )   4.75 0.75 0.85
assign ( resid 13 and name HB2  )( resi 14 and  name HN    )   4.75 0.75 0.85
assign ( resid 13 and name HG#  )( resi 14 and  name HN    )   4.75 0.75 0.85
assign ( resid 13 and name HA   )( resi 16 and  name HN    )    3.6  0.2  0.2
assign ( resid 14 and name HN   )( resi 13 and  name HN    )    2.8  0.4  0.4
assign ( resid 14 and name HA   )( resi 15 and  name HN    )    3.6  0.2  0.2
assign ( resid 14 and name HB1  )( resi 15 and  name HN    )   4.75 0.75 0.85
assign ( resid 14 and name HB2  )( resi 15 and  name HN    )   4.75 0.75 0.85
assign ( resid 14 and name HN   )( resi 15 and  name HN    )    2.8  0.4  0.4
assign ( resid 15 and name HA   )( resi 16 and  name HN    )    3.6  0.2  0.2
assign ( resid 15 and name HB1  )( resi 16 and  name HN    )   4.75 0.75 0.85
assign ( resid 15 and name HB1  )( resi 16 and  name HG2#  )   4.75 0.75 0.85
assign ( resid 15 and name HB2  )( resi 16 and  name HA    )   4.75 0.75 0.85
assign ( resid 15 and name HB2  )( resi 16 and  name HN    )   4.75 0.75 0.85
assign ( resid 15 and name HB2  )( resi 16 and  name HG2#  )   4.75 0.75 0.85
assign ( resid 15 and name HD#  )( resi 16 and  name HN    )   4.75 0.75 0.85
assign ( resid 15 and name HD#  )( resi 16 and  name HG2#  )   4.75 0.75 0.85
assign ( resid 16 and name HG2# )( resi 12 and  name HA    )   4.75 0.75 0.85
assign ( resid 16 and name HA   )( resi 15 and  name HA    )    4.9  0.3  0.3
assign ( resid 16 and name HA   )( resi 15 and  name HD#   )   4.75 0.75 0.85
assign ( resid 16 and name HG2# )( resi 15 and  name HA    )   4.75 0.75 0.85
assign ( resid 16 and name HG2# )( resi 15 and  name HE#   )   4.75 0.75 0.85
assign ( resid 16 and name HN   )( resi 15 and  name HN    )    2.8  0.4  0.4
assign ( resid 16 and name HA   )( resi 17 and  name HN    )    3.6  0.2  0.2
assign ( resid 16 and name HG2# )( resi 17 and  name HA    )   4.38 0.75 0.85
assign ( resid 16 and name HG2# )( resi 17 and  name HN    )   4.75 0.75 0.85
! added H-bonds for TPC3
assign ( resid    4 and name    O )( resid    8 and name   HN ) 1.60 0.30  0.40
assign ( resid    5 and name    O )( resid    9 and name   HN ) 1.60 0.30  0.40
assign ( resid    6 and name    O )( resid   10 and name   HN ) 1.60 0.30  0.40
assign ( resid    7 and name    O )( resid   11 and name   HN ) 1.60 0.30  0.40
assign ( resid    8 and name    O )( resid   12 and name   HN ) 1.60 0.30  0.40
assign ( resid    9 and name    O )( resid   13 and name   HN ) 1.60 0.30  0.40
assign ( resid   10 and name    O )( resid   14 and name   HN ) 1.60 0.30  0.40
assign ( resid   11 and name    O )( resid   15 and name   HN ) 1.60 0.30  0.40
assign ( resid   12 and name    O )( resid   16 and name   HN ) 1.60 0.30  0.40

!! Phi restraints
 assign (resid   5 and name c )   (resid   6 and name n ) 
        (resid   6 and name ca)   (resid   6 and name c )  1.0 -60.0 30.0 2  
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -60.0 30.0 2  
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -60.0 30.0 2  
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  1.0 -60.0 30.0 2  
 assign (resid   9 and name c )   (resid  10 and name n ) 
        (resid  10 and name ca)   (resid  10 and name c )  1.0 -60.0 30.0 2  
 assign (resid  10 and name c )   (resid  11 and name n ) 
        (resid  11 and name ca)   (resid  11 and name c )  1.0 -60.0 30.0 2  
 assign (resid  11 and name c )   (resid  12 and name n ) 
        (resid  12 and name ca)   (resid  12 and name c )  1.0 -60.0 30.0 2  
 assign (resid  12 and name c )   (resid  13 and name n ) 
        (resid  13 and name ca)   (resid  13 and name c )  1.0 -60.0 30.0 2  
 assign (resid  13 and name c )   (resid  14 and name n ) 
        (resid  14 and name ca)   (resid  14 and name c )  1.0 -60.0 30.0 2  
 assign (resid  14 and name c )   (resid  15 and name n ) 
        (resid  15 and name ca)   (resid  15 and name c )  1.0 -60.0 30.0 2  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          1H        SER   1 -12.894   3.586   3.150
    2   2H    SER   1          2H        SER   1 -13.090   3.804   3.140
    3   3H    SER   1          3H        SER   1 -13.008   3.596   3.141
    4    HA   SER   1           HA       SER   1 -12.930   3.457   3.248
    5   1HB   SER   1          HB2       SER   1 -13.470   3.581   3.179
    6   2HB   SER   1          HB1       SER   1 -13.443   3.676   3.177
    7    HG   SER   1           HG       SER   1 -13.640   3.777   3.146
    8    H    GLY   2           HN       GLY   2 -12.165   2.963   2.963
    9   1HA   GLY   2          HA2       GLY   2 -12.134   2.572   2.558
   10   2HA   GLY   2          HA1       GLY   2 -11.838   2.682   2.420
   11    H    THR   3           HN       THR   3 -10.791   1.883   2.983
   12    HA   THR   3           HA       THR   3  -9.417   2.478   2.795
   13    HB   THR   3           HB       THR   3  -9.373   1.767   3.872
   14    HG1  THR   3           HG1      THR   3 -10.789   2.203   4.332
   15   1HG2  THR   3          HG21      THR   3 -10.097   2.854   3.994
   16   2HG2  THR   3          HG22      THR   3  -9.982   2.669   4.111
   17   3HG2  THR   3          HG23      THR   3 -10.252   2.752   4.083
   18    H    LEU   4           HN       LEU   4  -9.422   0.854   2.313
   19    HA   LEU   4           HA       LEU   4  -7.360  -0.754   1.992
   20   1HB   LEU   4          HB2       LEU   4  -9.517  -0.926   0.618
   21   2HB   LEU   4          HB1       LEU   4  -8.571  -1.009  -0.295
   22    HG   LEU   4           HG       LEU   4  -8.160  -2.071   1.209
   23   1HD1  LEU   4          HD11      LEU   4  -9.316  -2.782   1.234
   24   2HD1  LEU   4          HD12      LEU   4  -9.388  -2.812   1.187
   25   3HD1  LEU   4          HD13      LEU   4  -9.232  -2.731   1.280
   26   1HD2  LEU   4          HD21      LEU   4  -8.689  -2.809   0.085
   27   2HD2  LEU   4          HD22      LEU   4  -8.668  -3.066   0.167
   28   3HD2  LEU   4          HD23      LEU   4  -8.491  -2.839   0.171
   29    H    SER   5           HN       SER   5  -8.284   1.943  -0.014
   30    HA   SER   5           HA       SER   5  -6.267   1.927  -1.962
   31   1HB   SER   5          HB2       SER   5  -7.343   4.202  -0.977
   32   2HB   SER   5          HB1       SER   5  -7.145   4.119  -1.853
   33    HG   SER   5           HG       SER   5  -8.305   3.958  -1.833
   34    H    THR   6           HN       THR   6  -6.147   3.903   1.026
   35    HA   THR   6           HA       THR   6  -3.457   4.667   0.911
   36    HB   THR   6           HB       THR   6  -3.913   4.309   3.581
   37    HG1  THR   6           HG1      THR   6  -6.166   4.449   3.492
   38   1HG2  THR   6          HG21      THR   6  -4.509   6.487   2.579
   39   2HG2  THR   6          HG22      THR   6  -4.466   6.478   2.586
   40   3HG2  THR   6          HG23      THR   6  -4.493   6.481   2.622
   41    H    PHE   7           HN       PHE   7  -4.676   1.935   2.897
   42    HA   PHE   7           HA       PHE   7  -2.317   0.754   3.697
   43   1HB   PHE   7          HB2       PHE   7  -5.004  -0.124   3.074
   44   2HB   PHE   7          HB1       PHE   7  -3.912  -1.351   2.939
   45    HD1  PHE   7           HD1      PHE   7  -3.313  -2.049   4.748
   46    HD2  PHE   7           HD2      PHE   7  -4.798   0.865   5.081
   47    HE1  PHE   7           HE1      PHE   7  -3.282  -2.283   7.070
   48    HE2  PHE   7           HE2      PHE   7  -4.767   0.632   7.403
   49    HZ   PHE   7           HZ       PHE   7  -4.009  -0.942   8.398
   50    H    PHE   8           HN       PHE   8  -3.839   0.415   0.491
   51    HA   PHE   8           HA       PHE   8  -1.871  -1.408  -0.575
   52   1HB   PHE   8          HB2       PHE   8  -4.212  -0.403  -1.408
   53   2HB   PHE   8          HB1       PHE   8  -3.318   0.287  -2.354
   54    HD1  PHE   8           HD1      PHE   8  -3.593  -0.732  -3.428
   55    HD2  PHE   8           HD2      PHE   8  -3.076  -2.461  -1.766
   56    HE1  PHE   8           HE1      PHE   8  -3.546  -2.465  -4.650
   57    HE2  PHE   8           HE2      PHE   8  -3.030  -4.194  -2.989
   58    HZ   PHE   8           HZ       PHE   8  -3.265  -4.195  -4.431
   59    H    ARG   9           HN       ARG   9  -2.141   2.120  -0.418
   60    HA   ARG   9           HA       ARG   9  -0.009   2.717  -2.268
   61   1HB   ARG   9          HB2       ARG   9  -1.788   4.167  -0.958
   62   2HB   ARG   9          HB1       ARG   9  -0.660   4.512  -0.142
   63   1HG   ARG   9          HG2       ARG   9  -0.090   5.144  -1.789
   64   2HG   ARG   9          HG1       ARG   9  -0.569   5.007  -2.218
   65   1HD   ARG   9          HD2       ARG   9  -0.910   5.988  -2.081
   66   2HD   ARG   9          HD1       ARG   9  -0.860   6.040  -1.972
   67    HE   ARG   9           HE       ARG   9  -0.814   6.580  -2.339
   68   1HH1  ARG   9          HH11      ARG   9  -1.373   6.680  -3.323
   69   2HH1  ARG   9          HH12      ARG   9  -1.291   7.652  -3.307
   70   1HH2  ARG   9          HH21      ARG   9  -0.531   7.905  -1.912
   71   2HH2  ARG   9          HH22      ARG   9  -0.815   8.345  -2.508
   72    H    LEU  10           HN       LEU  10  -0.121   2.472   1.299
   73    HA   LEU  10           HA       LEU  10   2.691   2.994   1.691
   74   1HB   LEU  10          HB2       LEU  10   0.494   2.753   3.254
   75   2HB   LEU  10          HB1       LEU  10   1.259   1.416   3.646
   76    HG   LEU  10           HG       LEU  10   2.710   3.197   3.908
   77   1HD1  LEU  10          HD11      LEU  10   1.998   3.980   4.585
   78   2HD1  LEU  10          HD12      LEU  10   2.178   3.935   4.540
   79   3HD1  LEU  10          HD13      LEU  10   2.141   3.893   4.713
   80   1HD2  LEU  10          HD21      LEU  10   2.563   2.687   4.992
   81   2HD2  LEU  10          HD22      LEU  10   2.426   2.767   4.985
   82   3HD2  LEU  10          HD23      LEU  10   2.459   2.781   4.911
   83    H    PHE  11           HN       PHE  11   0.769   0.028   1.289
   84    HA   PHE  11           HA       PHE  11   2.869  -1.838   1.894
   85   1HB   PHE  11          HB2       PHE  11   0.213  -1.920   1.210
   86   2HB   PHE  11          HB1       PHE  11   0.894  -2.684   0.002
   87    HD1  PHE  11           HD1      PHE  11   0.352  -2.931   3.016
   88    HD2  PHE  11           HD2      PHE  11   1.939  -4.352   0.553
   89    HE1  PHE  11           HE1      PHE  11   0.526  -4.786   4.285
   90    HE2  PHE  11           HE2      PHE  11   2.113  -6.206   1.822
   91    HZ   PHE  11           HZ       PHE  11   1.407  -6.423   3.688
   92    H    ASN  12           HN       ASN  12   1.659  -0.560  -1.223
   93    HA   ASN  12           HA       ASN  12   3.559  -1.945  -2.871
   94   1HB   ASN  12          HB2       ASN  12   1.381  -0.565  -3.359
   95   2HB   ASN  12          HB1       ASN  12   2.389   0.646  -3.608
   96   1HD2  ASN  12          HD21      ASN  12   2.097  -0.695  -5.382
   97   2HD2  ASN  12          HD22      ASN  12   2.552  -1.220  -6.468
   98    H    ARG  13           HN       ARG  13   3.532   1.383  -1.559
   99    HA   ARG  13           HA       ARG  13   5.994   2.250  -2.693
  100   1HB   ARG  13          HB2       ARG  13   4.224   3.448  -1.268
  101   2HB   ARG  13          HB1       ARG  13   5.033   3.173  -0.149
  102   1HG   ARG  13          HG2       ARG  13   6.142   4.256  -1.175
  103   2HG   ARG  13          HG1       ARG  13   5.792   4.435  -1.646
  104   1HD   ARG  13          HD2       ARG  13   5.577   5.311  -1.033
  105   2HD   ARG  13          HD1       ARG  13   5.624   5.152  -0.934
  106    HE   ARG  13           HE       ARG  13   6.073   5.649  -1.065
  107   1HH1  ARG  13          HH21      ARG  13   5.717   7.075  -0.474
  108   2HH1  ARG  13          HH22      ARG  13   6.164   7.673  -0.648
  109   1HH2  ARG  13          HH11      ARG  13   6.749   6.065  -1.507
  110   2HH2  ARG  13          HH12      ARG  13   6.748   7.102  -1.232
  111    H    SER  14           HN       SER  14   5.316   0.698   0.449
  112    HA   SER  14           HA       SER  14   8.026   0.716   1.392
  113   1HB   SER  14          HB2       SER  14   6.056  -0.264   2.557
  114   2HB   SER  14          HB1       SER  14   6.208  -0.830   2.440
  115    HG   SER  14           HG       SER  14   6.327  -0.591   3.300
  116    H    PHE  15           HN       PHE  15   6.120  -1.694  -0.396
  117    HA   PHE  15           HA       PHE  15   8.095  -3.766  -0.378
  118   1HB   PHE  15          HB2       PHE  15   5.603  -3.706  -1.070
  119   2HB   PHE  15          HB1       PHE  15   6.135  -3.398  -2.501
  120    HD1  PHE  15           HD1      PHE  15   7.404  -5.095  -2.799
  121    HD2  PHE  15           HD2      PHE  15   5.810  -5.400  -0.966
  122    HE1  PHE  15           HE1      PHE  15   7.747  -7.269  -3.142
  123    HE2  PHE  15           HE2      PHE  15   6.153  -7.573  -1.309
  124    HZ   PHE  15           HZ       PHE  15   7.121  -8.508  -2.397
  125    H    THR  16           HN       THR  16   7.468  -1.081  -2.596
  126    HA   THR  16           HA       THR  16   9.285  -1.847  -4.642
  127    HB   THR  16           HB       THR  16   8.483   0.696  -4.076
  128    HG1  THR  16           HG1      THR  16   7.164   0.227  -4.751
  129   1HG2  THR  16          HG21      THR  16   8.961   0.563  -5.647
  130   2HG2  THR  16          HG22      THR  16   8.876   0.510  -5.761
  131   3HG2  THR  16          HG23      THR  16   8.930   0.444  -5.740
  132    H    GLN  17           HN       GLN  17   9.707   0.116  -1.877
  133    HA   GLN  17           HA       GLN  17  12.344   0.551  -2.326
  134   1HB   GLN  17          HB2       GLN  17  10.946   1.646  -1.216
  135   2HB   GLN  17          HB1       GLN  17  11.617   1.206  -0.437
  136   1HG   GLN  17          HG2       GLN  17  12.611   1.912  -1.067
  137   2HG   GLN  17          HG1       GLN  17  12.302   2.339  -1.285
  138   1HE2  GLN  17          HE21      GLN  17  12.734   3.103  -0.676
  139   2HE2  GLN  17          HE22      GLN  17  12.868   3.648  -0.304
  140    H    ALA  18           HN       ALA  18  11.083  -0.590  -0.253
  141    HA   ALA  18           HA       ALA  18  12.626  -1.777   0.579
  142   1HB   ALA  18          HB1       ALA  18  12.612  -1.769   1.308
  143   2HB   ALA  18          HB2       ALA  18  12.623  -1.739   1.437
  144   3HB   ALA  18          HB3       ALA  18  12.593  -1.782   1.270
  145   1HN   NH2  19          1HN       NH2  19  12.098  -1.975   0.607
  146   2HN   NH2  19          2HN       NH2  19  12.013  -2.365   0.702
  Start of MODEL    2
    1   1H    SER   1          1H        SER   1 -15.769  -4.031   3.626
    2   2H    SER   1          2H        SER   1 -16.222  -3.724   2.017
    3   3H    SER   1          3H        SER   1 -17.330  -4.431   3.094
    4    HA   SER   1           HA       SER   1 -17.599  -1.944   2.595
    5   1HB   SER   1          HB2       SER   1 -18.399  -3.598   4.528
    6   2HB   SER   1          HB1       SER   1 -17.347  -2.583   5.511
    7    HG   SER   1           HG       SER   1 -18.534  -0.791   4.846
    8    H    GLY   2           HN       GLY   2 -14.774  -2.136   2.237
    9   1HA   GLY   2          HA2       GLY   2 -13.893   0.074   4.036
   10   2HA   GLY   2          HA1       GLY   2 -12.834  -1.315   3.782
   11    H    THR   3           HN       THR   3 -11.269   0.204   2.852
   12    HA   THR   3           HA       THR   3 -11.936   0.890   0.008
   13    HB   THR   3           HB       THR   3  -9.979   2.560   1.487
   14    HG1  THR   3           HG1      THR   3 -11.337   3.296   2.915
   15   1HG2  THR   3          HG21      THR   3 -10.664   3.099  -0.794
   16   2HG2  THR   3          HG22      THR   3 -11.245   4.350   0.306
   17   3HG2  THR   3          HG23      THR   3 -12.358   3.125  -0.304
   18    H    LEU   4           HN       LEU   4  -9.209   0.512   2.310
   19    HA   LEU   4           HA       LEU   4  -7.186  -0.703   2.054
   20   1HB   LEU   4          HB2       LEU   4  -9.072  -2.043   0.592
   21   2HB   LEU   4          HB1       LEU   4  -7.890  -1.654  -0.658
   22    HG   LEU   4           HG       LEU   4  -6.279  -2.473   1.416
   23   1HD1  LEU   4          HD11      LEU   4  -7.981  -3.294   2.843
   24   2HD1  LEU   4          HD12      LEU   4  -7.390  -4.730   2.008
   25   3HD1  LEU   4          HD13      LEU   4  -8.898  -3.972   1.497
   26   1HD2  LEU   4          HD21      LEU   4  -5.965  -4.503   0.077
   27   2HD2  LEU   4          HD22      LEU   4  -6.155  -3.112  -0.991
   28   3HD2  LEU   4          HD23      LEU   4  -7.502  -4.223  -0.742
   29    H    SER   5           HN       SER   5  -8.230   1.843   0.156
   30    HA   SER   5           HA       SER   5  -6.329   2.019  -1.951
   31   1HB   SER   5          HB2       SER   5  -8.149   3.761  -0.418
   32   2HB   SER   5          HB1       SER   5  -6.782   4.608  -1.135
   33    HG   SER   5           HG       SER   5  -8.528   2.827  -2.500
   34    H    THR   6           HN       THR   6  -6.159   3.975   1.042
   35    HA   THR   6           HA       THR   6  -3.468   4.727   0.870
   36    HB   THR   6           HB       THR   6  -3.862   4.458   3.552
   37    HG1  THR   6           HG1      THR   6  -5.797   3.731   3.836
   38   1HG2  THR   6          HG21      THR   6  -3.510   6.601   2.609
   39   2HG2  THR   6          HG22      THR   6  -5.121   6.694   3.321
   40   3HG2  THR   6          HG23      THR   6  -4.937   6.473   1.581
   41    H    PHE   7           HN       PHE   7  -4.656   2.049   2.950
   42    HA   PHE   7           HA       PHE   7  -2.279   0.882   3.727
   43   1HB   PHE   7          HB2       PHE   7  -5.029   0.148   3.399
   44   2HB   PHE   7          HB1       PHE   7  -4.035  -1.204   2.855
   45    HD1  PHE   7           HD1      PHE   7  -2.307  -2.181   4.384
   46    HD2  PHE   7           HD2      PHE   7  -5.136   0.767   5.711
   47    HE1  PHE   7           HE1      PHE   7  -1.815  -2.771   6.742
   48    HE2  PHE   7           HE2      PHE   7  -4.644   0.177   8.069
   49    HZ   PHE   7           HZ       PHE   7  -2.984  -1.592   8.585
   50    H    PHE   8           HN       PHE   8  -3.883   0.475   0.568
   51    HA   PHE   8           HA       PHE   8  -1.971  -1.397  -0.508
   52   1HB   PHE   8          HB2       PHE   8  -4.172  -1.176  -1.456
   53   2HB   PHE   8          HB1       PHE   8  -3.962   0.560  -1.688
   54    HD1  PHE   8           HD1      PHE   8  -3.757   1.113  -3.939
   55    HD2  PHE   8           HD2      PHE   8  -1.882  -2.467  -2.483
   56    HE1  PHE   8           HE1      PHE   8  -2.801   0.698  -6.190
   57    HE2  PHE   8           HE2      PHE   8  -0.927  -2.882  -4.734
   58    HZ   PHE   8           HZ       PHE   8  -1.386  -1.299  -6.587
   59    H    ARG   9           HN       ARG   9  -2.174   2.142  -0.417
   60    HA   ARG   9           HA       ARG   9  -0.045   2.665  -2.292
   61   1HB   ARG   9          HB2       ARG   9  -1.153   4.241   0.058
   62   2HB   ARG   9          HB1       ARG   9  -0.143   4.914  -1.222
   63   1HG   ARG   9          HG2       ARG   9  -2.167   3.575  -2.597
   64   2HG   ARG   9          HG1       ARG   9  -3.001   4.335  -1.241
   65   1HD   ARG   9          HD2       ARG   9  -1.571   6.450  -1.909
   66   2HD   ARG   9          HD1       ARG   9  -1.470   5.631  -3.481
   67    HE   ARG   9           HE       ARG   9  -4.174   5.577  -2.459
   68   1HH1  ARG   9          HH21      ARG   9  -2.684   8.421  -2.528
   69   2HH1  ARG   9          HH22      ARG   9  -3.435   9.060  -3.952
   70   1HH2  ARG   9          HH11      ARG   9  -4.774   6.016  -4.934
   71   2HH2  ARG   9          HH12      ARG   9  -4.618   7.699  -5.314
   72    H    LEU  10           HN       LEU  10  -0.137   2.445   1.276
   73    HA   LEU  10           HA       LEU  10   2.678   2.935   1.665
   74   1HB   LEU  10          HB2       LEU  10   1.053   3.256   3.431
   75   2HB   LEU  10          HB1       LEU  10   0.508   1.584   3.298
   76    HG   LEU  10           HG       LEU  10   2.745   0.801   4.004
   77   1HD1  LEU  10          HD11      LEU  10   4.431   2.376   4.750
   78   2HD1  LEU  10          HD12      LEU  10   3.342   3.736   4.475
   79   3HD1  LEU  10          HD13      LEU  10   3.962   2.812   3.107
   80   1HD2  LEU  10          HD21      LEU  10   2.344   2.641   6.204
   81   2HD2  LEU  10          HD22      LEU  10   1.994   0.914   6.128
   82   3HD2  LEU  10          HD23      LEU  10   0.789   2.083   5.586
   83    H    PHE  11           HN       PHE  11   0.739  -0.001   1.179
   84    HA   PHE  11           HA       PHE  11   2.804  -1.906   1.792
   85   1HB   PHE  11          HB2       PHE  11   0.094  -1.813   0.916
   86   2HB   PHE  11          HB1       PHE  11   0.974  -2.835  -0.221
   87    HD1  PHE  11           HD1      PHE  11   0.715  -2.228   3.476
   88    HD2  PHE  11           HD2      PHE  11   1.271  -5.083   0.315
   89    HE1  PHE  11           HE1      PHE  11   0.736  -4.067   5.140
   90    HE2  PHE  11           HE2      PHE  11   1.292  -6.921   1.979
   91    HZ   PHE  11           HZ       PHE  11   1.025  -6.413   4.391
   92    H    ASN  12           HN       ASN  12   1.653  -0.590  -1.339
   93    HA   ASN  12           HA       ASN  12   3.584  -1.943  -2.969
   94   1HB   ASN  12          HB2       ASN  12   1.496   0.060  -3.165
   95   2HB   ASN  12          HB1       ASN  12   2.874   0.507  -4.171
   96   1HD2  ASN  12          HD21      ASN  12   1.187  -0.022  -5.959
   97   2HD2  ASN  12          HD22      ASN  12   1.097  -1.636  -6.475
   98    H    ARG  13           HN       ARG  13   3.556   1.376  -1.616
   99    HA   ARG  13           HA       ARG  13   6.073   2.208  -2.671
  100   1HB   ARG  13          HB2       ARG  13   4.088   3.026  -0.676
  101   2HB   ARG  13          HB1       ARG  13   5.728   3.498  -0.230
  102   1HG   ARG  13          HG2       ARG  13   5.817   5.071  -1.847
  103   2HG   ARG  13          HG1       ARG  13   5.180   3.962  -3.061
  104   1HD   ARG  13          HD2       ARG  13   3.026   4.695  -2.780
  105   2HD   ARG  13          HD1       ARG  13   3.221   4.893  -1.027
  106    HE   ARG  13           HE       ARG  13   4.497   6.985  -1.511
  107   1HH1  ARG  13          HH11      ARG  13   4.501   5.939  -4.529
  108   2HH1  ARG  13          HH12      ARG  13   3.553   7.202  -5.241
  109   1HH2  ARG  13          HH21      ARG  13   2.460   8.456  -2.199
  110   2HH2  ARG  13          HH22      ARG  13   2.397   8.627  -3.921
  111    H    SER  14           HN       SER  14   5.238   0.610   0.412
  112    HA   SER  14           HA       SER  14   7.858   0.642   1.559
  113   1HB   SER  14          HB2       SER  14   6.896  -0.955   3.083
  114   2HB   SER  14          HB1       SER  14   5.598   0.142   2.620
  115    HG   SER  14           HG       SER  14   6.084  -2.516   1.844
  116    H    PHE  15           HN       PHE  15   6.175  -1.890  -0.340
  117    HA   PHE  15           HA       PHE  15   8.356  -3.754  -0.364
  118   1HB   PHE  15          HB2       PHE  15   5.710  -3.592  -1.216
  119   2HB   PHE  15          HB1       PHE  15   6.618  -3.751  -2.720
  120    HD1  PHE  15           HD1      PHE  15   8.857  -5.423  -2.136
  121    HD2  PHE  15           HD2      PHE  15   4.865  -5.668  -0.567
  122    HE1  PHE  15           HE1      PHE  15   9.181  -7.840  -1.687
  123    HE2  PHE  15           HE2      PHE  15   5.190  -8.085  -0.118
  124    HZ   PHE  15           HZ       PHE  15   7.348  -9.171  -0.678
  125    H    THR  16           HN       THR  16   7.547  -0.987  -2.412
  126    HA   THR  16           HA       THR  16   9.307  -1.539  -4.597
  127    HB   THR  16           HB       THR  16   8.358   1.073  -3.374
  128    HG1  THR  16           HG1      THR  16   7.257  -0.831  -5.096
  129   1HG2  THR  16          HG21      THR  16   8.600   1.697  -5.924
  130   2HG2  THR  16          HG22      THR  16   9.767   0.375  -5.926
  131   3HG2  THR  16          HG23      THR  16  10.007   1.760  -4.862
  132    H    GLN  17           HN       GLN  17   9.918  -0.450  -1.348
  133    HA   GLN  17           HA       GLN  17  12.695   0.382  -2.078
  134   1HB   GLN  17          HB2       GLN  17  11.230   1.939  -0.810
  135   2HB   GLN  17          HB1       GLN  17  11.066   0.727   0.461
  136   1HG   GLN  17          HG2       GLN  17  12.885   1.699   1.395
  137   2HG   GLN  17          HG1       GLN  17  13.806   0.889   0.127
  138   1HE2  GLN  17          HE21      GLN  17  15.000   2.255  -1.212
  139   2HE2  GLN  17          HE22      GLN  17  14.712   3.916  -1.412
  140    H    ALA  18           HN       ALA  18  11.310  -1.101   0.863
  141    HA   ALA  18           HA       ALA  18  12.972  -3.518   0.533
  142   1HB   ALA  18          HB1       ALA  18  14.024  -2.925   2.845
  143   2HB   ALA  18          HB2       ALA  18  13.517  -1.276   2.477
  144   3HB   ALA  18          HB3       ALA  18  14.651  -2.108   1.413
  145   1HN   NH2  19          1HN       NH2  19  10.186  -3.490   0.707
  146   2HN   NH2  19          2HN       NH2  19   9.678  -4.034   2.233
  Start of MODEL    3
    1   1H    SER   1          1H        SER   1 -14.209   7.430   4.086
    2   2H    SER   1          2H        SER   1 -15.700   7.562   3.282
    3   3H    SER   1          3H        SER   1 -14.407   8.575   2.851
    4    HA   SER   1           HA       SER   1 -14.350   5.616   2.550
    5   1HB   SER   1          HB2       SER   1 -15.094   7.876   0.670
    6   2HB   SER   1          HB1       SER   1 -14.764   6.231   0.130
    7    HG   SER   1           HG       SER   1 -17.046   7.022   0.773
    8    H    GLY   2           HN       GLY   2 -12.246   4.994   2.261
    9   1HA   GLY   2          HA2       GLY   2 -10.309   5.688   0.582
   10   2HA   GLY   2          HA1       GLY   2 -10.217   7.076   1.666
   11    H    THR   3           HN       THR   3 -10.391   3.505   1.933
   12    HA   THR   3           HA       THR   3  -8.320   3.701   4.099
   13    HB   THR   3           HB       THR   3 -10.088   1.333   3.969
   14    HG1  THR   3           HG1      THR   3 -11.053   3.957   4.392
   15   1HG2  THR   3          HG21      THR   3  -8.610   2.920   5.892
   16   2HG2  THR   3          HG22      THR   3  -9.235   1.279   6.051
   17   3HG2  THR   3          HG23      THR   3 -10.265   2.658   6.439
   18    H    LEU   4           HN       LEU   4  -9.690   1.032   2.150
   19    HA   LEU   4           HA       LEU   4  -7.444  -0.584   1.942
   20   1HB   LEU   4          HB2       LEU   4  -9.490   0.085  -0.200
   21   2HB   LEU   4          HB1       LEU   4  -8.503  -1.376  -0.155
   22    HG   LEU   4           HG       LEU   4  -9.688  -1.188   2.393
   23   1HD1  LEU   4          HD11      LEU   4 -11.538   0.078   2.010
   24   2HD1  LEU   4          HD12      LEU   4 -12.149  -1.359   1.190
   25   3HD1  LEU   4          HD13      LEU   4 -11.388  -0.069   0.259
   26   1HD2  LEU   4          HD21      LEU   4 -10.944  -3.210   1.565
   27   2HD2  LEU   4          HD22      LEU   4  -9.210  -3.276   1.253
   28   3HD2  LEU   4          HD23      LEU   4 -10.326  -2.869  -0.051
   29    H    SER   5           HN       SER   5  -8.316   2.039  -0.347
   30    HA   SER   5           HA       SER   5  -6.186   1.920  -2.129
   31   1HB   SER   5          HB2       SER   5  -6.481   4.536  -1.997
   32   2HB   SER   5          HB1       SER   5  -7.831   3.537  -2.528
   33    HG   SER   5           HG       SER   5  -8.120   5.193  -0.746
   34    H    THR   6           HN       THR   6  -6.177   3.953   0.833
   35    HA   THR   6           HA       THR   6  -3.472   4.725   0.781
   36    HB   THR   6           HB       THR   6  -4.078   4.403   3.455
   37    HG1  THR   6           HG1      THR   6  -6.444   5.152   3.163
   38   1HG2  THR   6          HG21      THR   6  -5.198   6.613   1.722
   39   2HG2  THR   6          HG22      THR   6  -3.482   6.480   2.110
   40   3HG2  THR   6          HG23      THR   6  -4.661   6.722   3.399
   41    H    PHE   7           HN       PHE   7  -4.790   2.071   2.816
   42    HA   PHE   7           HA       PHE   7  -2.473   0.897   3.740
   43   1HB   PHE   7          HB2       PHE   7  -5.202   0.121   3.127
   44   2HB   PHE   7          HB1       PHE   7  -4.102  -1.233   2.858
   45    HD1  PHE   7           HD1      PHE   7  -5.221   1.284   5.354
   46    HD2  PHE   7           HD2      PHE   7  -3.023  -2.343   4.679
   47    HE1  PHE   7           HE1      PHE   7  -5.059   0.927   7.803
   48    HE2  PHE   7           HE2      PHE   7  -2.860  -2.701   7.127
   49    HZ   PHE   7           HZ       PHE   7  -3.879  -1.066   8.689
   50    H    PHE   8           HN       PHE   8  -3.895   0.429   0.498
   51    HA   PHE   8           HA       PHE   8  -1.902  -1.432  -0.438
   52   1HB   PHE   8          HB2       PHE   8  -4.293  -0.180  -1.311
   53   2HB   PHE   8          HB1       PHE   8  -3.064   0.201  -2.517
   54    HD1  PHE   8           HD1      PHE   8  -1.338  -2.285  -2.079
   55    HD2  PHE   8           HD2      PHE   8  -5.572  -1.770  -2.588
   56    HE1  PHE   8           HE1      PHE   8  -1.509  -4.587  -2.985
   57    HE2  PHE   8           HE2      PHE   8  -5.743  -4.072  -3.494
   58    HZ   PHE   8           HZ       PHE   8  -3.712  -5.481  -3.693
   59    H    ARG   9           HN       ARG   9  -2.145   2.104  -0.412
   60    HA   ARG   9           HA       ARG   9   0.049   2.639  -2.198
   61   1HB   ARG   9          HB2       ARG   9  -1.895   4.095  -1.123
   62   2HB   ARG   9          HB1       ARG   9  -0.678   4.412   0.114
   63   1HG   ARG   9          HG2       ARG   9   0.908   5.038  -1.773
   64   2HG   ARG   9          HG1       ARG   9  -0.487   4.986  -2.852
   65   1HD   ARG   9          HD2       ARG   9  -0.908   7.133  -2.249
   66   2HD   ARG   9          HD1       ARG   9  -1.318   6.523  -0.634
   67    HE   ARG   9           HE       ARG   9   1.526   6.645  -0.864
   68   1HH1  ARG   9          HH11      ARG   9  -0.172   7.790   1.380
   69   2HH1  ARG   9          HH12      ARG   9   0.173   9.481   1.239
   70   1HH2  ARG   9          HH21      ARG   9   1.512   9.212  -1.948
   71   2HH2  ARG   9          HH22      ARG   9   1.127  10.286  -0.645
   72    H    LEU  10           HN       LEU  10  -0.166   2.333   1.353
   73    HA   LEU  10           HA       LEU  10   2.627   2.879   1.853
   74   1HB   LEU  10          HB2       LEU  10   0.952   3.149   3.572
   75   2HB   LEU  10          HB1       LEU  10   0.411   1.481   3.381
   76    HG   LEU  10           HG       LEU  10   3.201   1.376   3.877
   77   1HD1  LEU  10          HD11      LEU  10   2.400   3.779   4.841
   78   2HD1  LEU  10          HD12      LEU  10   3.658   2.806   5.605
   79   3HD1  LEU  10          HD13      LEU  10   2.006   2.753   6.221
   80   1HD2  LEU  10          HD21      LEU  10   2.033  -0.420   4.721
   81   2HD2  LEU  10          HD22      LEU  10   0.651   0.569   5.194
   82   3HD2  LEU  10          HD23      LEU  10   2.104   0.548   6.194
   83    H    PHE  11           HN       PHE  11   0.740  -0.124   1.438
   84    HA   PHE  11           HA       PHE  11   2.848  -1.970   2.014
   85   1HB   PHE  11          HB2       PHE  11   0.320  -2.318   1.766
   86   2HB   PHE  11          HB1       PHE  11   0.594  -2.328   0.023
   87    HD1  PHE  11           HD1      PHE  11   0.359  -4.369   2.866
   88    HD2  PHE  11           HD2      PHE  11   2.656  -3.881  -0.730
   89    HE1  PHE  11           HE1      PHE  11   1.054  -6.747   2.987
   90    HE2  PHE  11           HE2      PHE  11   3.351  -6.258  -0.609
   91    HZ   PHE  11           HZ       PHE  11   2.550  -7.692   1.250
   92    H    ASN  12           HN       ASN  12   1.644  -0.792  -1.157
   93    HA   ASN  12           HA       ASN  12   3.648  -2.065  -2.747
   94   1HB   ASN  12          HB2       ASN  12   1.435  -1.018  -3.431
   95   2HB   ASN  12          HB1       ASN  12   2.218   0.556  -3.280
   96   1HD2  ASN  12          HD21      ASN  12   1.974   0.891  -5.638
   97   2HD2  ASN  12          HD22      ASN  12   2.992   0.082  -6.730
   98    H    ARG  13           HN       ARG  13   3.449   1.343  -1.630
   99    HA   ARG  13           HA       ARG  13   5.878   2.312  -2.620
  100   1HB   ARG  13          HB2       ARG  13   4.368   2.798  -0.040
  101   2HB   ARG  13          HB1       ARG  13   5.748   3.784  -0.527
  102   1HG   ARG  13          HG2       ARG  13   3.753   3.397  -2.657
  103   2HG   ARG  13          HG1       ARG  13   3.141   4.276  -1.255
  104   1HD   ARG  13          HD2       ARG  13   4.242   6.131  -1.937
  105   2HD   ARG  13          HD1       ARG  13   5.780   5.248  -1.870
  106    HE   ARG  13           HE       ARG  13   5.378   4.503  -4.185
  107   1HH1  ARG  13          HH21      ARG  13   2.516   5.909  -3.154
  108   2HH1  ARG  13          HH22      ARG  13   2.267   6.870  -4.574
  109   1HH2  ARG  13          HH11      ARG  13   5.383   6.161  -5.921
  110   2HH2  ARG  13          HH12      ARG  13   3.890   7.013  -6.140
  111    H    SER  14           HN       SER  14   5.347   0.677   0.527
  112    HA   SER  14           HA       SER  14   8.065   0.704   1.394
  113   1HB   SER  14          HB2       SER  14   5.976   0.198   2.715
  114   2HB   SER  14          HB1       SER  14   5.916  -1.372   1.919
  115    HG   SER  14           HG       SER  14   8.050  -0.345   3.494
  116    H    PHE  15           HN       PHE  15   6.222  -1.769  -0.419
  117    HA   PHE  15           HA       PHE  15   8.396  -3.647  -0.634
  118   1HB   PHE  15          HB2       PHE  15   5.653  -3.311  -1.453
  119   2HB   PHE  15          HB1       PHE  15   6.601  -3.891  -2.823
  120    HD1  PHE  15           HD1      PHE  15   6.872  -6.191  -3.035
  121    HD2  PHE  15           HD2      PHE  15   6.311  -4.502   0.875
  122    HE1  PHE  15           HE1      PHE  15   6.914  -8.465  -2.046
  123    HE2  PHE  15           HE2      PHE  15   6.354  -6.776   1.863
  124    HZ   PHE  15           HZ       PHE  15   6.655  -8.758   0.403
  125    H    THR  16           HN       THR  16   7.530  -0.761  -2.414
  126    HA   THR  16           HA       THR  16   9.255  -1.415  -4.715
  127    HB   THR  16           HB       THR  16   8.562   1.129  -5.106
  128    HG1  THR  16           HG1      THR  16   7.632   1.671  -3.252
  129   1HG2  THR  16          HG21      THR  16   6.159   0.077  -5.669
  130   2HG2  THR  16          HG22      THR  16   7.046  -1.420  -5.380
  131   3HG2  THR  16          HG23      THR  16   7.594  -0.297  -6.624
  132    H    GLN  17           HN       GLN  17   9.476   0.302  -1.678
  133    HA   GLN  17           HA       GLN  17  11.783   1.933  -2.395
  134   1HB   GLN  17          HB2       GLN  17   9.889   1.706  -0.326
  135   2HB   GLN  17          HB1       GLN  17  11.444   1.364   0.433
  136   1HG   GLN  17          HG2       GLN  17  12.332   3.458  -0.142
  137   2HG   GLN  17          HG1       GLN  17  11.151   3.710  -1.428
  138   1HE2  GLN  17          HE21      GLN  17  11.901   4.820   1.595
  139   2HE2  GLN  17          HE22      GLN  17  10.352   5.254   2.137
  140    H    ALA  18           HN       ALA  18  11.620  -0.541   0.177
  141    HA   ALA  18           HA       ALA  18  14.339  -1.471  -0.686
  142   1HB   ALA  18          HB1       ALA  18  13.646  -2.148   2.026
  143   2HB   ALA  18          HB2       ALA  18  13.307  -0.439   1.755
  144   3HB   ALA  18          HB3       ALA  18  14.925  -1.074   1.459
  145   1HN   NH2  19          1HN       NH2  19  11.051  -2.466   0.146
  146   2HN   NH2  19          2HN       NH2  19  11.285  -4.129  -0.101
  Start of MODEL    4
    1   1H    SER   1          1H        SER   1  -8.516   8.539  -0.060
    2   2H    SER   1          2H        SER   1  -8.445   8.336   1.625
    3   3H    SER   1          3H        SER   1  -8.677   9.883   0.961
    4    HA   SER   1           HA       SER   1 -10.776   9.036   1.816
    5   1HB   SER   1          HB2       SER   1 -11.908   9.815  -0.061
    6   2HB   SER   1          HB1       SER   1 -10.271  10.338  -0.452
    7    HG   SER   1           HG       SER   1 -11.846   8.629  -1.764
    8    H    GLY   2           HN       GLY   2  -9.316   6.638   2.030
    9   1HA   GLY   2          HA2       GLY   2 -11.278   4.652   1.668
   10   2HA   GLY   2          HA1       GLY   2 -10.232   4.576   0.249
   11    H    THR   3           HN       THR   3 -10.470   3.913   3.650
   12    HA   THR   3           HA       THR   3  -7.888   3.577   4.567
   13    HB   THR   3           HB       THR   3  -8.875   1.528   5.737
   14    HG1  THR   3           HG1      THR   3 -11.325   1.696   5.242
   15   1HG2  THR   3          HG21      THR   3 -11.009   3.418   6.160
   16   2HG2  THR   3          HG22      THR   3  -9.485   4.280   5.952
   17   3HG2  THR   3          HG23      THR   3  -9.638   3.049   7.205
   18    H    LEU   4           HN       LEU   4  -9.613   1.396   2.332
   19    HA   LEU   4           HA       LEU   4  -7.561  -0.605   2.161
   20   1HB   LEU   4          HB2       LEU   4  -9.896  -0.933   1.484
   21   2HB   LEU   4          HB1       LEU   4  -9.722   0.295   0.229
   22    HG   LEU   4           HG       LEU   4  -7.654  -1.762   0.060
   23   1HD1  LEU   4          HD11      LEU   4  -9.801  -3.150  -1.044
   24   2HD1  LEU   4          HD12      LEU   4 -10.419  -2.589   0.509
   25   3HD1  LEU   4          HD13      LEU   4  -8.955  -3.570   0.445
   26   1HD2  LEU   4          HD21      LEU   4  -9.128   0.014  -1.600
   27   2HD2  LEU   4          HD22      LEU   4  -9.446  -1.619  -2.187
   28   3HD2  LEU   4          HD23      LEU   4  -7.787  -1.032  -2.067
   29    H    SER   5           HN       SER   5  -8.395   2.041  -0.120
   30    HA   SER   5           HA       SER   5  -6.314   1.736  -1.965
   31   1HB   SER   5          HB2       SER   5  -6.749   4.065  -2.473
   32   2HB   SER   5          HB1       SER   5  -8.272   3.337  -1.970
   33    HG   SER   5           HG       SER   5  -7.909   5.318  -0.910
   34    H    THR   6           HN       THR   6  -6.233   3.884   0.913
   35    HA   THR   6           HA       THR   6  -3.547   4.703   0.748
   36    HB   THR   6           HB       THR   6  -4.035   4.456   3.443
   37    HG1  THR   6           HG1      THR   6  -6.054   3.397   2.723
   38   1HG2  THR   6          HG21      THR   6  -3.571   6.591   2.622
   39   2HG2  THR   6          HG22      THR   6  -5.276   6.733   3.047
   40   3HG2  THR   6          HG23      THR   6  -4.805   6.483   1.367
   41    H    PHE   7           HN       PHE   7  -4.730   2.083   2.904
   42    HA   PHE   7           HA       PHE   7  -2.355   0.976   3.761
   43   1HB   PHE   7          HB2       PHE   7  -5.076   0.024   3.116
   44   2HB   PHE   7          HB1       PHE   7  -3.858  -1.250   3.177
   45    HD1  PHE   7           HD1      PHE   7  -1.989  -0.340   5.208
   46    HD2  PHE   7           HD2      PHE   7  -6.275  -0.059   5.130
   47    HE1  PHE   7           HE1      PHE   7  -2.028  -0.263   7.686
   48    HE2  PHE   7           HE2      PHE   7  -6.314   0.018   7.610
   49    HZ   PHE   7           HZ       PHE   7  -4.191  -0.084   8.887
   50    H    PHE   8           HN       PHE   8  -3.898   0.409   0.594
   51    HA   PHE   8           HA       PHE   8  -1.922  -1.455  -0.375
   52   1HB   PHE   8          HB2       PHE   8  -4.347  -0.814  -1.158
   53   2HB   PHE   8          HB1       PHE   8  -3.520   0.426  -2.102
   54    HD1  PHE   8           HD1      PHE   8  -1.848  -0.212  -3.828
   55    HD2  PHE   8           HD2      PHE   8  -4.173  -3.150  -1.728
   56    HE1  PHE   8           HE1      PHE   8  -1.249  -1.907  -5.537
   57    HE2  PHE   8           HE2      PHE   8  -3.575  -4.844  -3.436
   58    HZ   PHE   8           HZ       PHE   8  -2.112  -4.223  -5.340
   59    H    ARG   9           HN       ARG   9  -2.212   2.079  -0.434
   60    HA   ARG   9           HA       ARG   9  -0.081   2.603  -2.292
   61   1HB   ARG   9          HB2       ARG   9  -1.998   4.066  -1.203
   62   2HB   ARG   9          HB1       ARG   9  -0.770   4.397   0.019
   63   1HG   ARG   9          HG2       ARG   9  -0.430   6.120  -1.545
   64   2HG   ARG   9          HG1       ARG   9   0.776   4.920  -2.011
   65   1HD   ARG   9          HD2       ARG   9  -0.405   4.273  -3.919
   66   2HD   ARG   9          HD1       ARG   9  -1.965   4.798  -3.251
   67    HE   ARG   9           HE       ARG   9  -0.953   7.177  -3.421
   68   1HH1  ARG   9          HH11      ARG   9  -1.600   5.228  -5.943
   69   2HH1  ARG   9          HH12      ARG   9  -0.460   5.908  -7.055
   70   1HH2  ARG   9          HH21      ARG   9   1.188   7.770  -4.638
   71   2HH2  ARG   9          HH22      ARG   9   1.118   7.348  -6.316
   72    H    LEU  10           HN       LEU  10  -0.176   2.396   1.274
   73    HA   LEU  10           HA       LEU  10   2.624   2.960   1.676
   74   1HB   LEU  10          HB2       LEU  10   1.053   3.248   3.463
   75   2HB   LEU  10          HB1       LEU  10   0.440   1.605   3.276
   76    HG   LEU  10           HG       LEU  10   3.315   1.623   3.726
   77   1HD1  LEU  10          HD11      LEU  10   1.642   3.389   5.368
   78   2HD1  LEU  10          HD12      LEU  10   3.399   3.288   5.261
   79   3HD1  LEU  10          HD13      LEU  10   2.515   2.183   6.313
   80   1HD2  LEU  10          HD21      LEU  10   2.516  -0.416   4.316
   81   2HD2  LEU  10          HD22      LEU  10   0.880   0.202   4.539
   82   3HD2  LEU  10          HD23      LEU  10   2.061   0.345   5.840
   83    H    PHE  11           HN       PHE  11   0.754  -0.057   1.331
   84    HA   PHE  11           HA       PHE  11   2.865  -1.897   1.890
   85   1HB   PHE  11          HB2       PHE  11   0.402  -2.351   1.717
   86   2HB   PHE  11          HB1       PHE  11   0.529  -2.159  -0.031
   87    HD1  PHE  11           HD1      PHE  11   1.478  -4.253   2.859
   88    HD2  PHE  11           HD2      PHE  11   1.619  -3.831  -1.413
   89    HE1  PHE  11           HE1      PHE  11   2.208  -6.613   2.650
   90    HE2  PHE  11           HE2      PHE  11   2.349  -6.191  -1.623
   91    HZ   PHE  11           HZ       PHE  11   2.644  -7.583   0.409
   92    H    ASN  12           HN       ASN  12   1.721  -0.559  -1.231
   93    HA   ASN  12           HA       ASN  12   3.667  -1.888  -2.867
   94   1HB   ASN  12          HB2       ASN  12   1.563  -0.863  -3.658
   95   2HB   ASN  12          HB1       ASN  12   2.174   0.733  -3.222
   96   1HD2  ASN  12          HD21      ASN  12   3.812  -2.022  -4.878
   97   2HD2  ASN  12          HD22      ASN  12   4.240  -1.128  -6.257
   98    H    ARG  13           HN       ARG  13   3.608   1.416  -1.479
   99    HA   ARG  13           HA       ARG  13   6.081   2.337  -2.509
  100   1HB   ARG  13          HB2       ARG  13   4.149   3.457  -1.141
  101   2HB   ARG  13          HB1       ARG  13   5.096   2.969   0.266
  102   1HG   ARG  13          HG2       ARG  13   7.092   4.071  -1.029
  103   2HG   ARG  13          HG1       ARG  13   5.816   4.908  -1.914
  104   1HD   ARG  13          HD2       ARG  13   5.043   6.031   0.004
  105   2HD   ARG  13          HD1       ARG  13   5.793   4.858   1.104
  106    HE   ARG  13           HE       ARG  13   7.893   5.956  -0.414
  107   1HH1  ARG  13          HH21      ARG  13   5.971   8.356  -0.017
  108   2HH1  ARG  13          HH22      ARG  13   6.674   9.083   1.388
  109   1HH2  ARG  13          HH11      ARG  13   8.596   6.310   2.189
  110   2HH2  ARG  13          HH12      ARG  13   8.160   7.926   2.637
  111    H    SER  14           HN       SER  14   5.413   0.657   0.584
  112    HA   SER  14           HA       SER  14   8.123   0.587   1.507
  113   1HB   SER  14          HB2       SER  14   5.506  -0.629   2.106
  114   2HB   SER  14          HB1       SER  14   6.879  -1.624   2.578
  115    HG   SER  14           HG       SER  14   6.071   0.048   4.114
  116    H    PHE  15           HN       PHE  15   6.210  -1.721  -0.429
  117    HA   PHE  15           HA       PHE  15   8.298  -3.729  -0.569
  118   1HB   PHE  15          HB2       PHE  15   5.579  -3.259  -1.451
  119   2HB   PHE  15          HB1       PHE  15   6.531  -3.953  -2.763
  120    HD1  PHE  15           HD1      PHE  15   4.885  -4.585   0.388
  121    HD2  PHE  15           HD2      PHE  15   7.883  -6.066  -2.310
  122    HE1  PHE  15           HE1      PHE  15   4.764  -6.812   1.474
  123    HE2  PHE  15           HE2      PHE  15   7.761  -8.292  -1.224
  124    HZ   PHE  15           HZ       PHE  15   6.202  -8.665   0.669
  125    H    THR  16           HN       THR  16   7.540  -0.833  -2.394
  126    HA   THR  16           HA       THR  16   9.330  -1.580  -4.630
  127    HB   THR  16           HB       THR  16   7.922   1.044  -4.082
  128    HG1  THR  16           HG1      THR  16   6.910  -1.248  -5.408
  129   1HG2  THR  16          HG21      THR  16   9.612   0.874  -5.941
  130   2HG2  THR  16          HG22      THR  16   7.985   1.286  -6.484
  131   3HG2  THR  16          HG23      THR  16   8.590  -0.358  -6.681
  132    H    GLN  17           HN       GLN  17   9.376   0.331  -1.693
  133    HA   GLN  17           HA       GLN  17  11.643   2.002  -2.375
  134   1HB   GLN  17          HB2       GLN  17   9.985   2.530  -0.634
  135   2HB   GLN  17          HB1       GLN  17  10.464   1.094   0.272
  136   1HG   GLN  17          HG2       GLN  17  12.731   1.994   0.545
  137   2HG   GLN  17          HG1       GLN  17  12.293   3.416  -0.404
  138   1HE2  GLN  17          HE21      GLN  17   9.651   3.831   0.697
  139   2HE2  GLN  17          HE22      GLN  17   9.833   4.306   2.317
  140    H    ALA  18           HN       ALA  18  11.408  -0.765  -0.095
  141    HA   ALA  18           HA       ALA  18  14.324  -1.271  -0.568
  142   1HB   ALA  18          HB1       ALA  18  12.604  -2.248   1.721
  143   2HB   ALA  18          HB2       ALA  18  13.339  -0.645   1.730
  144   3HB   ALA  18          HB3       ALA  18  14.360  -2.082   1.676
  145   1HN   NH2  19          1HN       NH2  19  14.930  -3.367  -1.308
  146   2HN   NH2  19          2HN       NH2  19  13.827  -4.618  -1.623
  Start of MODEL    5
    1   1H    SER   1          1H        SER   1 -10.231  10.727   2.320
    2   2H    SER   1          2H        SER   1  -9.848  10.764   3.974
    3   3H    SER   1          3H        SER   1 -10.772   9.487   3.342
    4    HA   SER   1           HA       SER   1  -8.121   9.908   2.176
    5   1HB   SER   1          HB2       SER   1  -7.003   9.029   4.080
    6   2HB   SER   1          HB1       SER   1  -8.111  10.227   4.742
    7    HG   SER   1           HG       SER   1  -8.515   8.464   5.932
    8    H    GLY   2           HN       GLY   2 -10.093   7.518   3.992
    9   1HA   GLY   2          HA2       GLY   2 -11.230   5.691   2.759
   10   2HA   GLY   2          HA1       GLY   2  -9.891   5.721   1.610
   11    H    THR   3           HN       THR   3  -9.831   3.347   2.190
   12    HA   THR   3           HA       THR   3  -8.021   2.954   4.541
   13    HB   THR   3           HB       THR   3  -9.423   0.720   4.720
   14    HG1  THR   3           HG1      THR   3 -11.287   2.515   3.566
   15   1HG2  THR   3          HG21      THR   3 -10.928   1.830   6.309
   16   2HG2  THR   3          HG22      THR   3 -10.557   3.394   5.585
   17   3HG2  THR   3          HG23      THR   3  -9.302   2.498   6.439
   18    H    LEU   4           HN       LEU   4  -9.491   0.548   2.390
   19    HA   LEU   4           HA       LEU   4  -7.276  -1.008   1.849
   20   1HB   LEU   4          HB2       LEU   4  -9.812  -0.972   1.033
   21   2HB   LEU   4          HB1       LEU   4  -9.093  -0.276  -0.419
   22    HG   LEU   4           HG       LEU   4  -7.457  -2.469   0.365
   23   1HD1  LEU   4          HD11      LEU   4 -10.116  -2.857   1.236
   24   2HD1  LEU   4          HD12      LEU   4  -8.846  -4.076   1.110
   25   3HD1  LEU   4          HD13      LEU   4  -9.947  -3.806  -0.242
   26   1HD2  LEU   4          HD21      LEU   4  -8.286  -1.367  -1.935
   27   2HD2  LEU   4          HD22      LEU   4  -9.433  -2.706  -1.863
   28   3HD2  LEU   4          HD23      LEU   4  -7.699  -3.029  -1.863
   29    H    SER   5           HN       SER   5  -8.268   1.840  -0.098
   30    HA   SER   5           HA       SER   5  -6.202   1.883  -1.984
   31   1HB   SER   5          HB2       SER   5  -7.541   4.155  -0.480
   32   2HB   SER   5          HB1       SER   5  -6.634   4.352  -1.977
   33    HG   SER   5           HG       SER   5  -8.125   2.774  -2.880
   34    H    THR   6           HN       THR   6  -6.155   3.793   1.058
   35    HA   THR   6           HA       THR   6  -3.481   4.626   0.990
   36    HB   THR   6           HB       THR   6  -3.971   4.148   3.653
   37    HG1  THR   6           HG1      THR   6  -6.334   4.668   3.657
   38   1HG2  THR   6          HG21      THR   6  -4.516   6.320   1.721
   39   2HG2  THR   6          HG22      THR   6  -3.635   6.366   3.247
   40   3HG2  THR   6          HG23      THR   6  -5.397   6.427   3.244
   41    H    PHE   7           HN       PHE   7  -4.638   1.823   2.915
   42    HA   PHE   7           HA       PHE   7  -2.249   0.673   3.674
   43   1HB   PHE   7          HB2       PHE   7  -4.931  -0.336   2.831
   44   2HB   PHE   7          HB1       PHE   7  -3.654  -1.534   3.052
   45    HD1  PHE   7           HD1      PHE   7  -3.586  -2.506   5.158
   46    HD2  PHE   7           HD2      PHE   7  -4.794   1.599   4.791
   47    HE1  PHE   7           HE1      PHE   7  -3.884  -2.374   7.617
   48    HE2  PHE   7           HE2      PHE   7  -5.092   1.732   7.249
   49    HZ   PHE   7           HZ       PHE   7  -4.638  -0.255   8.662
   50    H    PHE   8           HN       PHE   8  -3.790   0.374   0.472
   51    HA   PHE   8           HA       PHE   8  -1.806  -1.400  -0.648
   52   1HB   PHE   8          HB2       PHE   8  -4.249  -0.100  -1.357
   53   2HB   PHE   8          HB1       PHE   8  -3.066   0.264  -2.615
   54    HD1  PHE   8           HD1      PHE   8  -4.531  -2.551  -0.642
   55    HD2  PHE   8           HD2      PHE   8  -2.466  -1.362  -4.216
   56    HE1  PHE   8           HE1      PHE   8  -4.791  -4.842  -1.556
   57    HE2  PHE   8           HE2      PHE   8  -2.727  -3.652  -5.131
   58    HZ   PHE   8           HZ       PHE   8  -3.890  -5.393  -3.800
   59    H    ARG   9           HN       ARG   9  -2.101   2.116  -0.383
   60    HA   ARG   9           HA       ARG   9   0.007   2.781  -2.246
   61   1HB   ARG   9          HB2       ARG   9  -1.756   4.331  -1.514
   62   2HB   ARG   9          HB1       ARG   9  -1.175   4.229   0.149
   63   1HG   ARG   9          HG2       ARG   9  -0.365   6.272  -1.061
   64   2HG   ARG   9          HG1       ARG   9   0.942   5.244  -0.471
   65   1HD   ARG   9          HD2       ARG   9   1.473   4.461  -2.623
   66   2HD   ARG   9          HD1       ARG   9  -0.129   4.873  -3.268
   67    HE   ARG   9           HE       ARG   9   0.523   7.288  -2.982
   68   1HH1  ARG   9          HH21      ARG   9   2.422   5.400  -4.747
   69   2HH1  ARG   9          HH22      ARG   9   3.927   6.198  -4.436
   70   1HH2  ARG   9          HH11      ARG   9   2.687   8.087  -1.806
   71   2HH2  ARG   9          HH12      ARG   9   4.078   7.720  -2.771
   72    H    LEU  10           HN       LEU  10  -0.072   2.581   1.334
   73    HA   LEU  10           HA       LEU  10   2.750   3.069   1.677
   74   1HB   LEU  10          HB2       LEU  10   0.486   2.922   3.236
   75   2HB   LEU  10          HB1       LEU  10   1.337   1.447   3.697
   76    HG   LEU  10           HG       LEU  10   2.722   4.131   3.576
   77   1HD1  LEU  10          HD11      LEU  10   0.640   3.665   5.266
   78   2HD1  LEU  10          HD12      LEU  10   2.021   4.681   5.680
   79   3HD1  LEU  10          HD13      LEU  10   1.973   3.000   6.211
   80   1HD2  LEU  10          HD21      LEU  10   3.742   1.613   3.741
   81   2HD2  LEU  10          HD22      LEU  10   3.511   1.973   5.453
   82   3HD2  LEU  10          HD23      LEU  10   4.520   3.024   4.458
   83    H    PHE  11           HN       PHE  11   0.807   0.149   1.204
   84    HA   PHE  11           HA       PHE  11   2.881  -1.747   1.889
   85   1HB   PHE  11          HB2       PHE  11   0.198  -1.692   0.604
   86   2HB   PHE  11          HB1       PHE  11   1.210  -3.086   0.225
   87    HD1  PHE  11           HD1      PHE  11  -1.394  -2.446   2.164
   88    HD2  PHE  11           HD2      PHE  11   2.744  -3.474   2.691
   89    HE1  PHE  11           HE1      PHE  11  -1.921  -3.434   4.377
   90    HE2  PHE  11           HE2      PHE  11   2.216  -4.463   4.904
   91    HZ   PHE  11           HZ       PHE  11  -0.117  -4.443   5.746
   92    H    ASN  12           HN       ASN  12   1.652  -0.553  -1.263
   93    HA   ASN  12           HA       ASN  12   3.560  -1.967  -2.875
   94   1HB   ASN  12          HB2       ASN  12   1.322  -0.351  -3.199
   95   2HB   ASN  12          HB1       ASN  12   2.622   0.614  -3.899
   96   1HD2  ASN  12          HD21      ASN  12   0.516  -2.042  -4.483
   97   2HD2  ASN  12          HD22      ASN  12   1.255  -2.606  -5.903
   98    H    ARG  13           HN       ARG  13   3.537   1.365  -1.578
   99    HA   ARG  13           HA       ARG  13   6.013   2.201  -2.760
  100   1HB   ARG  13          HB2       ARG  13   4.492   3.826  -1.912
  101   2HB   ARG  13          HB1       ARG  13   4.381   3.016  -0.348
  102   1HG   ARG  13          HG2       ARG  13   6.502   3.752   0.330
  103   2HG   ARG  13          HG1       ARG  13   7.029   4.059  -1.324
  104   1HD   ARG  13          HD2       ARG  13   5.434   5.954  -1.479
  105   2HD   ARG  13          HD1       ARG  13   4.945   5.662   0.202
  106    HE   ARG  13           HE       ARG  13   7.795   5.836   0.093
  107   1HH1  ARG  13          HH21      ARG  13   5.872   8.025  -1.449
  108   2HH1  ARG  13          HH22      ARG  13   6.212   9.367  -0.408
  109   1HH2  ARG  13          HH11      ARG  13   7.849   7.447   1.971
  110   2HH2  ARG  13          HH12      ARG  13   7.330   9.039   1.529
  111    H    SER  14           HN       SER  14   5.254   0.680   0.376
  112    HA   SER  14           HA       SER  14   7.961   0.787   1.397
  113   1HB   SER  14          HB2       SER  14   6.062   0.590   2.873
  114   2HB   SER  14          HB1       SER  14   5.489  -0.849   2.033
  115    HG   SER  14           HG       SER  14   6.989  -0.827   4.113
  116    H    PHE  15           HN       PHE  15   6.068  -1.672  -0.352
  117    HA   PHE  15           HA       PHE  15   8.176  -3.688  -0.222
  118   1HB   PHE  15          HB2       PHE  15   5.447  -3.324  -1.287
  119   2HB   PHE  15          HB1       PHE  15   6.456  -4.415  -2.238
  120    HD1  PHE  15           HD1      PHE  15   5.510  -6.531  -1.675
  121    HD2  PHE  15           HD2      PHE  15   6.683  -3.797   1.424
  122    HE1  PHE  15           HE1      PHE  15   5.186  -8.312   0.020
  123    HE2  PHE  15           HE2      PHE  15   6.358  -5.577   3.119
  124    HZ   PHE  15           HZ       PHE  15   5.609  -7.834   2.417
  125    H    THR  16           HN       THR  16   7.328  -1.060  -2.374
  126    HA   THR  16           HA       THR  16   8.746  -2.000  -4.714
  127    HB   THR  16           HB       THR  16   7.770   0.672  -3.687
  128    HG1  THR  16           HG1      THR  16   6.511   0.200  -5.758
  129   1HG2  THR  16          HG21      THR  16   9.190   1.657  -5.137
  130   2HG2  THR  16          HG22      THR  16   8.210   0.943  -6.417
  131   3HG2  THR  16          HG23      THR  16   9.655   0.110  -5.843
  132    H    GLN  17           HN       GLN  17   9.619   0.214  -2.042
  133    HA   GLN  17           HA       GLN  17  12.345   0.580  -3.075
  134   1HB   GLN  17          HB2       GLN  17  10.532   1.705  -1.090
  135   2HB   GLN  17          HB1       GLN  17  12.156   1.498  -0.432
  136   1HG   GLN  17          HG2       GLN  17  12.299   2.535  -3.128
  137   2HG   GLN  17          HG1       GLN  17  11.268   3.563  -2.132
  138   1HE2  GLN  17          HE21      GLN  17  13.984   1.642  -0.854
  139   2HE2  GLN  17          HE22      GLN  17  14.938   2.975  -0.416
  140    H    ALA  18           HN       ALA  18  11.574  -0.179   0.296
  141    HA   ALA  18           HA       ALA  18  13.866  -1.978   0.493
  142   1HB   ALA  18          HB1       ALA  18  13.432  -0.702   2.409
  143   2HB   ALA  18          HB2       ALA  18  12.700  -2.247   2.840
  144   3HB   ALA  18          HB3       ALA  18  11.687  -0.919   2.274
  145   1HN   NH2  19          1HN       NH2  19  13.737  -4.305   0.842
  146   2HN   NH2  19          2HN       NH2  19  12.334  -5.195   0.499
  Start of MODEL    6
    1   1H    SER   1          1H        SER   1  -9.927  -3.795   4.259
    2   2H    SER   1          2H        SER   1 -10.128  -4.886   5.546
    3   3H    SER   1          3H        SER   1 -11.071  -3.474   5.469
    4    HA   SER   1           HA       SER   1 -11.190  -5.529   3.334
    5   1HB   SER   1          HB2       SER   1 -11.836  -6.864   5.092
    6   2HB   SER   1          HB1       SER   1 -12.212  -5.488   6.126
    7    HG   SER   1           HG       SER   1 -14.107  -6.559   5.494
    8    H    GLY   2           HN       GLY   2 -11.432  -2.441   3.753
    9   1HA   GLY   2          HA2       GLY   2 -14.162  -2.226   2.545
   10   2HA   GLY   2          HA1       GLY   2 -13.556  -1.022   3.684
   11    H    THR   3           HN       THR   3 -11.696   0.280   3.010
   12    HA   THR   3           HA       THR   3 -11.802   0.910   0.132
   13    HB   THR   3           HB       THR   3  -9.898   2.517   1.378
   14    HG1  THR   3           HG1      THR   3 -10.279   2.457   3.423
   15   1HG2  THR   3          HG21      THR   3 -12.366   3.768   1.796
   16   2HG2  THR   3          HG22      THR   3 -12.640   2.690   0.428
   17   3HG2  THR   3          HG23      THR   3 -11.356   3.896   0.357
   18    H    LEU   4           HN       LEU   4  -9.105   0.389   2.442
   19    HA   LEU   4           HA       LEU   4  -7.081  -0.817   2.155
   20   1HB   LEU   4          HB2       LEU   4  -8.999  -2.094   0.600
   21   2HB   LEU   4          HB1       LEU   4  -7.694  -1.782  -0.546
   22    HG   LEU   4           HG       LEU   4  -6.255  -2.649   1.586
   23   1HD1  LEU   4          HD11      LEU   4  -7.507  -4.705   2.405
   24   2HD1  LEU   4          HD12      LEU   4  -8.961  -4.003   1.697
   25   3HD1  LEU   4          HD13      LEU   4  -8.124  -3.165   3.003
   26   1HD2  LEU   4          HD21      LEU   4  -7.555  -4.657  -0.250
   27   2HD2  LEU   4          HD22      LEU   4  -5.886  -4.600   0.319
   28   3HD2  LEU   4          HD23      LEU   4  -6.446  -3.445  -0.892
   29    H    SER   5           HN       SER   5  -8.167   1.731   0.276
   30    HA   SER   5           HA       SER   5  -6.304   1.961  -1.846
   31   1HB   SER   5          HB2       SER   5  -8.115   3.641  -0.265
   32   2HB   SER   5          HB1       SER   5  -6.725   4.532  -0.877
   33    HG   SER   5           HG       SER   5  -8.852   3.947  -2.203
   34    H    THR   6           HN       THR   6  -6.049   3.792   1.223
   35    HA   THR   6           HA       THR   6  -3.361   4.551   1.006
   36    HB   THR   6           HB       THR   6  -3.673   4.179   3.682
   37    HG1  THR   6           HG1      THR   6  -6.128   4.692   3.699
   38   1HG2  THR   6          HG21      THR   6  -5.412   6.319   2.679
   39   2HG2  THR   6          HG22      THR   6  -3.832   6.275   1.895
   40   3HG2  THR   6          HG23      THR   6  -3.943   6.425   3.649
   41    H    PHE   7           HN       PHE   7  -4.555   1.728   2.886
   42    HA   PHE   7           HA       PHE   7  -2.178   0.524   3.621
   43   1HB   PHE   7          HB2       PHE   7  -4.842  -0.143   3.522
   44   2HB   PHE   7          HB1       PHE   7  -4.145  -1.312   2.400
   45    HD1  PHE   7           HD1      PHE   7  -2.722   0.248   5.492
   46    HD2  PHE   7           HD2      PHE   7  -4.011  -3.356   3.544
   47    HE1  PHE   7           HE1      PHE   7  -1.875  -1.086   7.402
   48    HE2  PHE   7           HE2      PHE   7  -3.164  -4.692   5.455
   49    HZ   PHE   7           HZ       PHE   7  -2.096  -3.557   7.384
   50    H    PHE   8           HN       PHE   8  -3.712   0.392   0.408
   51    HA   PHE   8           HA       PHE   8  -1.736  -1.380  -0.760
   52   1HB   PHE   8          HB2       PHE   8  -4.122  -0.930  -1.507
   53   2HB   PHE   8          HB1       PHE   8  -3.564   0.632  -2.105
   54    HD1  PHE   8           HD1      PHE   8  -2.372   0.819  -4.160
   55    HD2  PHE   8           HD2      PHE   8  -3.098  -3.047  -2.433
   56    HE1  PHE   8           HE1      PHE   8  -1.575  -0.262  -6.245
   57    HE2  PHE   8           HE2      PHE   8  -2.300  -4.128  -4.518
   58    HZ   PHE   8           HZ       PHE   8  -1.538  -2.735  -6.423
   59    H    ARG   9           HN       ARG   9  -2.090   2.136  -0.468
   60    HA   ARG   9           HA       ARG   9   0.003   2.854  -2.319
   61   1HB   ARG   9          HB2       ARG   9  -1.867   4.285  -1.381
   62   2HB   ARG   9          HB1       ARG   9  -0.977   4.332   0.142
   63   1HG   ARG   9          HG2       ARG   9   1.019   5.172  -1.246
   64   2HG   ARG   9          HG1       ARG   9  -0.149   5.451  -2.539
   65   1HD   ARG   9          HD2       ARG   9  -1.431   6.971  -1.132
   66   2HD   ARG   9          HD1       ARG   9  -0.396   6.605   0.262
   67    HE   ARG   9           HE       ARG   9   1.153   8.134  -0.636
   68   1HH1  ARG   9          HH11      ARG   9  -1.125   8.881  -2.638
   69   2HH1  ARG   9          HH12      ARG   9  -0.240   8.826  -4.126
   70   1HH2  ARG   9          HH21      ARG   9   2.461   7.129  -2.765
   71   2HH2  ARG   9          HH22      ARG   9   1.790   7.833  -4.197
   72    H    LEU  10           HN       LEU  10  -0.046   2.505   1.245
   73    HA   LEU  10           HA       LEU  10   2.786   3.030   1.565
   74   1HB   LEU  10          HB2       LEU  10   0.422   2.457   3.140
   75   2HB   LEU  10          HB1       LEU  10   1.792   1.517   3.733
   76    HG   LEU  10           HG       LEU  10   2.015   4.472   3.142
   77   1HD1  LEU  10          HD11      LEU  10   1.845   3.678   5.963
   78   2HD1  LEU  10          HD12      LEU  10   0.342   3.419   5.077
   79   3HD1  LEU  10          HD13      LEU  10   1.071   5.024   5.127
   80   1HD2  LEU  10          HD21      LEU  10   4.095   4.312   4.111
   81   2HD2  LEU  10          HD22      LEU  10   3.957   2.647   3.545
   82   3HD2  LEU  10          HD23      LEU  10   3.593   3.041   5.225
   83    H    PHE  11           HN       PHE  11   0.817   0.097   1.192
   84    HA   PHE  11           HA       PHE  11   2.877  -1.808   1.813
   85   1HB   PHE  11          HB2       PHE  11   0.233  -1.736   0.420
   86   2HB   PHE  11          HB1       PHE  11   1.244  -3.160   0.175
   87    HD1  PHE  11           HD1      PHE  11   0.571  -0.908   3.106
   88    HD2  PHE  11           HD2      PHE  11   0.593  -4.915   1.559
   89    HE1  PHE  11           HE1      PHE  11  -0.099  -1.771   5.332
   90    HE2  PHE  11           HE2      PHE  11  -0.077  -5.778   3.785
   91    HZ   PHE  11           HZ       PHE  11  -0.423  -4.206   5.672
   92    H    ASN  12           HN       ASN  12   1.770  -0.406  -1.285
   93    HA   ASN  12           HA       ASN  12   3.674  -1.866  -2.909
   94   1HB   ASN  12          HB2       ASN  12   1.404  -0.374  -3.288
   95   2HB   ASN  12          HB1       ASN  12   2.648   0.742  -3.849
   96   1HD2  ASN  12          HD21      ASN  12   0.920  -0.259  -5.782
   97   2HD2  ASN  12          HD22      ASN  12   1.720  -1.397  -6.754
   98    H    ARG  13           HN       ARG  13   3.569   1.507  -1.700
   99    HA   ARG  13           HA       ARG  13   6.065   2.345  -2.812
  100   1HB   ARG  13          HB2       ARG  13   4.247   3.171  -0.569
  101   2HB   ARG  13          HB1       ARG  13   5.822   3.951  -0.718
  102   1HG   ARG  13          HG2       ARG  13   4.556   3.773  -3.311
  103   2HG   ARG  13          HG1       ARG  13   3.480   4.569  -2.162
  104   1HD   ARG  13          HD2       ARG  13   4.972   6.330  -1.777
  105   2HD   ARG  13          HD1       ARG  13   6.383   5.367  -2.265
  106    HE   ARG  13           HE       ARG  13   4.385   6.549  -4.135
  107   1HH1  ARG  13          HH21      ARG  13   6.897   4.272  -3.708
  108   2HH1  ARG  13          HH22      ARG  13   7.664   4.614  -5.222
  109   1HH2  ARG  13          HH11      ARG  13   5.538   7.236  -6.011
  110   2HH2  ARG  13          HH12      ARG  13   6.894   6.292  -6.526
  111    H    SER  14           HN       SER  14   5.261   0.804   0.298
  112    HA   SER  14           HA       SER  14   8.021   0.927   1.272
  113   1HB   SER  14          HB2       SER  14   5.545  -0.564   2.199
  114   2HB   SER  14          HB1       SER  14   7.031  -0.394   3.132
  115    HG   SER  14           HG       SER  14   5.135   1.193   3.356
  116    H    PHE  15           HN       PHE  15   5.890  -1.519  -0.189
  117    HA   PHE  15           HA       PHE  15   7.816  -3.693   0.105
  118   1HB   PHE  15          HB2       PHE  15   5.353  -3.972   0.020
  119   2HB   PHE  15          HB1       PHE  15   5.348  -3.355  -1.633
  120    HD1  PHE  15           HD1      PHE  15   5.493  -4.873  -3.398
  121    HD2  PHE  15           HD2      PHE  15   7.030  -5.979   0.457
  122    HE1  PHE  15           HE1      PHE  15   5.997  -7.146  -4.251
  123    HE2  PHE  15           HE2      PHE  15   7.534  -8.254  -0.396
  124    HZ   PHE  15           HZ       PHE  15   7.017  -8.837  -2.750
  125    H    THR  16           HN       THR  16   7.408  -1.084  -2.107
  126    HA   THR  16           HA       THR  16   8.654  -2.416  -4.408
  127    HB   THR  16           HB       THR  16   7.805   0.396  -3.688
  128    HG1  THR  16           HG1      THR  16   6.056  -0.557  -4.372
  129   1HG2  THR  16          HG21      THR  16   9.354   1.107  -5.184
  130   2HG2  THR  16          HG22      THR  16   8.264   0.435  -6.397
  131   3HG2  THR  16          HG23      THR  16   9.625  -0.520  -5.810
  132    H    GLN  17           HN       GLN  17   9.658  -0.269  -1.775
  133    HA   GLN  17           HA       GLN  17  12.448  -0.272  -2.858
  134   1HB   GLN  17          HB2       GLN  17  11.440   1.913  -2.472
  135   2HB   GLN  17          HB1       GLN  17  10.989   1.452  -0.830
  136   1HG   GLN  17          HG2       GLN  17  13.825   1.018  -1.298
  137   2HG   GLN  17          HG1       GLN  17  13.376   2.694  -1.613
  138   1HE2  GLN  17          HE21      GLN  17  14.980   1.976   0.659
  139   2HE2  GLN  17          HE22      GLN  17  14.075   2.276   2.063
  140    H    ALA  18           HN       ALA  18  10.454  -1.642  -0.429
  141    HA   ALA  18           HA       ALA  18  12.764  -2.998   0.789
  142   1HB   ALA  18          HB1       ALA  18  12.396  -0.633   1.814
  143   2HB   ALA  18          HB2       ALA  18  12.580  -1.993   2.921
  144   3HB   ALA  18          HB3       ALA  18  10.975  -1.349   2.574
  145   1HN   NH2  19          1HN       NH2  19  11.446  -4.869  -0.051
  146   2HN   NH2  19          2HN       NH2  19  10.078  -5.389   0.809
  Start of MODEL    7
    1   1H    SER   1          1H        SER   1 -12.930   9.097   0.323
    2   2H    SER   1          2H        SER   1 -13.796   7.792  -0.334
    3   3H    SER   1          3H        SER   1 -12.101   7.837  -0.453
    4    HA   SER   1           HA       SER   1 -11.974   7.721   2.018
    5   1HB   SER   1          HB2       SER   1 -14.061   7.266   3.184
    6   2HB   SER   1          HB1       SER   1 -14.283   8.708   2.197
    7    HG   SER   1           HG       SER   1 -14.977   6.058   1.435
    8    H    GLY   2           HN       GLY   2 -10.692   5.916   1.494
    9   1HA   GLY   2          HA2       GLY   2 -12.074   3.327   1.460
   10   2HA   GLY   2          HA1       GLY   2 -11.169   3.690  -0.011
   11    H    THR   3           HN       THR   3 -10.890   3.029   3.430
   12    HA   THR   3           HA       THR   3  -8.216   3.447   4.010
   13    HB   THR   3           HB       THR   3  -9.420   0.782   4.653
   14    HG1  THR   3           HG1      THR   3 -10.417   3.254   5.615
   15   1HG2  THR   3          HG21      THR   3  -7.815   1.002   6.217
   16   2HG2  THR   3          HG22      THR   3  -8.818   2.250   6.955
   17   3HG2  THR   3          HG23      THR   3  -7.560   2.697   5.802
   18    H    LEU   4           HN       LEU   4  -9.544   0.624   2.251
   19    HA   LEU   4           HA       LEU   4  -7.275  -0.917   1.839
   20   1HB   LEU   4          HB2       LEU   4  -9.537  -0.133  -0.021
   21   2HB   LEU   4          HB1       LEU   4  -8.392  -1.421  -0.401
   22    HG   LEU   4           HG       LEU   4 -10.284  -1.292   1.961
   23   1HD1  LEU   4          HD11      LEU   4  -9.969  -3.317  -0.275
   24   2HD1  LEU   4          HD12      LEU   4 -11.203  -2.058  -0.232
   25   3HD1  LEU   4          HD13      LEU   4 -11.202  -3.334   0.986
   26   1HD2  LEU   4          HD21      LEU   4  -8.325  -2.229   2.888
   27   2HD2  LEU   4          HD22      LEU   4  -7.899  -3.048   1.386
   28   3HD2  LEU   4          HD23      LEU   4  -9.242  -3.640   2.364
   29    H    SER   5           HN       SER   5  -8.274   1.878  -0.176
   30    HA   SER   5           HA       SER   5  -6.199   1.923  -2.043
   31   1HB   SER   5          HB2       SER   5  -7.872   3.968  -0.631
   32   2HB   SER   5          HB1       SER   5  -6.566   4.533  -1.669
   33    HG   SER   5           HG       SER   5  -7.635   3.867  -3.367
   34    H    THR   6           HN       THR   6  -6.169   3.834   0.997
   35    HA   THR   6           HA       THR   6  -3.481   4.655   0.926
   36    HB   THR   6           HB       THR   6  -4.017   4.237   3.596
   37    HG1  THR   6           HG1      THR   6  -6.286   4.620   3.737
   38   1HG2  THR   6          HG21      THR   6  -4.162   6.368   1.669
   39   2HG2  THR   6          HG22      THR   6  -3.824   6.465   3.397
   40   3HG2  THR   6          HG23      THR   6  -5.489   6.528   2.821
   41    H    PHE   7           HN       PHE   7  -4.696   1.907   2.897
   42    HA   PHE   7           HA       PHE   7  -2.332   0.753   3.723
   43   1HB   PHE   7          HB2       PHE   7  -5.052  -0.114   3.056
   44   2HB   PHE   7          HB1       PHE   7  -3.871  -1.415   2.911
   45    HD1  PHE   7           HD1      PHE   7  -3.918   1.530   5.216
   46    HD2  PHE   7           HD2      PHE   7  -4.148  -2.742   4.836
   47    HE1  PHE   7           HE1      PHE   7  -3.856   1.308   7.684
   48    HE2  PHE   7           HE2      PHE   7  -4.086  -2.965   7.304
   49    HZ   PHE   7           HZ       PHE   7  -3.940  -0.940   8.730
   50    H    PHE   8           HN       PHE   8  -3.817   0.393   0.501
   51    HA   PHE   8           HA       PHE   8  -1.814  -1.413  -0.539
   52   1HB   PHE   8          HB2       PHE   8  -4.032  -1.230  -1.505
   53   2HB   PHE   8          HB1       PHE   8  -3.809   0.495  -1.796
   54    HD1  PHE   8           HD1      PHE   8  -2.690   1.287  -3.742
   55    HD2  PHE   8           HD2      PHE   8  -2.577  -2.889  -2.742
   56    HE1  PHE   8           HE1      PHE   8  -1.679   0.785  -5.951
   57    HE2  PHE   8           HE2      PHE   8  -1.566  -3.391  -4.950
   58    HZ   PHE   8           HZ       PHE   8  -1.116  -1.553  -6.554
   59    H    ARG   9           HN       ARG   9  -2.127   2.111  -0.386
   60    HA   ARG   9           HA       ARG   9  -0.006   2.741  -2.235
   61   1HB   ARG   9          HB2       ARG   9  -1.913   4.179  -1.238
   62   2HB   ARG   9          HB1       ARG   9  -0.862   4.367   0.166
   63   1HG   ARG   9          HG2       ARG   9   0.475   5.838  -0.908
   64   2HG   ARG   9          HG1       ARG   9   0.558   4.821  -2.347
   65   1HD   ARG   9          HD2       ARG   9  -2.091   5.831  -2.258
   66   2HD   ARG   9          HD1       ARG   9  -1.012   7.206  -1.942
   67    HE   ARG   9           HE       ARG   9   0.118   6.750  -4.049
   68   1HH1  ARG   9          HH11      ARG   9  -0.893   3.741  -3.674
   69   2HH1  ARG   9          HH12      ARG   9  -1.805   3.593  -5.139
   70   1HH2  ARG   9          HH21      ARG   9  -1.784   6.995  -5.808
   71   2HH2  ARG   9          HH22      ARG   9  -2.310   5.436  -6.346
   72    H    LEU  10           HN       LEU  10  -0.099   2.444   1.329
   73    HA   LEU  10           HA       LEU  10   2.725   2.978   1.690
   74   1HB   LEU  10          HB2       LEU  10   0.748   3.171   3.330
   75   2HB   LEU  10          HB1       LEU  10   0.881   1.422   3.518
   76    HG   LEU  10           HG       LEU  10   3.415   1.923   3.948
   77   1HD1  LEU  10          HD11      LEU  10   2.919   4.353   5.318
   78   2HD1  LEU  10          HD12      LEU  10   2.295   4.566   3.682
   79   3HD1  LEU  10          HD13      LEU  10   3.978   4.102   3.931
   80   1HD2  LEU  10          HD21      LEU  10   2.957   2.122   6.336
   81   2HD2  LEU  10          HD22      LEU  10   1.749   1.061   5.611
   82   3HD2  LEU  10          HD23      LEU  10   1.335   2.729   6.006
   83    H    PHE  11           HN       PHE  11   0.778   0.039   1.264
   84    HA   PHE  11           HA       PHE  11   2.860  -1.849   1.908
   85   1HB   PHE  11          HB2       PHE  11   0.216  -1.975   1.554
   86   2HB   PHE  11          HB1       PHE  11   0.698  -2.431  -0.081
   87    HD1  PHE  11           HD1      PHE  11   3.249  -3.861   0.467
   88    HD2  PHE  11           HD2      PHE  11  -0.532  -4.013   2.501
   89    HE1  PHE  11           HE1      PHE  11   3.765  -6.155   1.257
   90    HE2  PHE  11           HE2      PHE  11  -0.015  -6.307   3.291
   91    HZ   PHE  11           HZ       PHE  11   2.134  -7.377   2.669
   92    H    ASN  12           HN       ASN  12   1.684  -0.516  -1.200
   93    HA   ASN  12           HA       ASN  12   3.573  -1.958  -2.840
   94   1HB   ASN  12          HB2       ASN  12   1.434  -0.020  -3.066
   95   2HB   ASN  12          HB1       ASN  12   2.783   0.444  -4.104
   96   1HD2  ASN  12          HD21      ASN  12   3.215  -0.854  -5.961
   97   2HD2  ASN  12          HD22      ASN  12   2.276  -2.201  -6.390
   98    H    ARG  13           HN       ARG  13   3.518   1.390  -1.570
   99    HA   ARG  13           HA       ARG  13   5.967   2.271  -2.730
  100   1HB   ARG  13          HB2       ARG  13   4.136   3.599  -1.583
  101   2HB   ARG  13          HB1       ARG  13   4.788   3.037  -0.043
  102   1HG   ARG  13          HG2       ARG  13   6.366   4.637  -0.103
  103   2HG   ARG  13          HG1       ARG  13   6.951   4.023  -1.648
  104   1HD   ARG  13          HD2       ARG  13   6.244   6.023  -2.494
  105   2HD   ARG  13          HD1       ARG  13   4.611   5.341  -2.358
  106    HE   ARG  13           HE       ARG  13   4.934   6.230   0.157
  107   1HH1  ARG  13          HH21      ARG  13   5.260   7.658  -2.943
  108   2HH1  ARG  13          HH22      ARG  13   5.333   9.281  -2.345
  109   1HH2  ARG  13          HH11      ARG  13   5.263   8.336   0.991
  110   2HH2  ARG  13          HH12      ARG  13   5.335   9.665  -0.117
  111    H    SER  14           HN       SER  14   5.317   0.723   0.428
  112    HA   SER  14           HA       SER  14   8.059   0.776   1.331
  113   1HB   SER  14          HB2       SER  14   5.551  -0.749   2.039
  114   2HB   SER  14          HB1       SER  14   7.070  -1.053   2.877
  115    HG   SER  14           HG       SER  14   6.105   1.572   2.540
  116    H    PHE  15           HN       PHE  15   6.091  -1.638  -0.398
  117    HA   PHE  15           HA       PHE  15   8.070  -3.741  -0.343
  118   1HB   PHE  15          HB2       PHE  15   5.759  -4.251  -0.723
  119   2HB   PHE  15          HB1       PHE  15   5.654  -3.090  -2.047
  120    HD1  PHE  15           HD1      PHE  15   7.108  -3.503  -4.129
  121    HD2  PHE  15           HD2      PHE  15   6.360  -6.494  -1.138
  122    HE1  PHE  15           HE1      PHE  15   7.763  -5.274  -5.736
  123    HE2  PHE  15           HE2      PHE  15   7.015  -8.265  -2.745
  124    HZ   PHE  15           HZ       PHE  15   7.717  -7.655  -5.045
  125    H    THR  16           HN       THR  16   7.366  -1.085  -2.589
  126    HA   THR  16           HA       THR  16   8.960  -1.883  -4.794
  127    HB   THR  16           HB       THR  16   8.344   0.839  -3.603
  128    HG1  THR  16           HG1      THR  16   6.890   0.637  -5.576
  129   1HG2  THR  16          HG21      THR  16   8.965   0.406  -6.498
  130   2HG2  THR  16          HG22      THR  16  10.305   0.519  -5.358
  131   3HG2  THR  16          HG23      THR  16   9.167   1.856  -5.514
  132    H    GLN  17           HN       GLN  17  10.052   0.841  -2.809
  133    HA   GLN  17           HA       GLN  17  12.772   0.686  -3.292
  134   1HB   GLN  17          HB2       GLN  17  11.132   2.156  -1.721
  135   2HB   GLN  17          HB1       GLN  17  11.943   1.201  -0.480
  136   1HG   GLN  17          HG2       GLN  17  13.894   2.099  -2.390
  137   2HG   GLN  17          HG1       GLN  17  12.948   3.483  -1.839
  138   1HE2  GLN  17          HE21      GLN  17  13.970   0.491  -0.097
  139   2HE2  GLN  17          HE22      GLN  17  14.754   1.318   1.162
  140    H    ALA  18           HN       ALA  18  11.341  -0.685  -0.300
  141    HA   ALA  18           HA       ALA  18  13.628  -2.581  -0.135
  142   1HB   ALA  18          HB1       ALA  18  13.345  -1.604   1.935
  143   2HB   ALA  18          HB2       ALA  18  12.213  -2.942   2.131
  144   3HB   ALA  18          HB3       ALA  18  11.619  -1.342   1.687
  145   1HN   NH2  19          1HN       NH2  19  13.248  -4.594  -1.112
  146   2HN   NH2  19          2HN       NH2  19  11.761  -5.414  -1.117
  Start of MODEL    8
    1   1H    SER   1          1H        SER   1 -12.387   7.822  -1.042
    2   2H    SER   1          2H        SER   1 -12.624   6.140  -1.079
    3   3H    SER   1          3H        SER   1 -11.891   6.927  -2.395
    4    HA   SER   1           HA       SER   1 -10.027   6.102  -1.368
    5   1HB   SER   1          HB2       SER   1 -10.330   8.538   0.342
    6   2HB   SER   1          HB1       SER   1  -8.977   8.052  -0.675
    7    HG   SER   1           HG       SER   1 -10.214   8.607  -2.483
    8    H    GLY   2           HN       GLY   2 -11.278   4.308  -0.145
    9   1HA   GLY   2          HA2       GLY   2 -11.804   4.785   2.692
   10   2HA   GLY   2          HA1       GLY   2 -11.891   3.227   1.871
   11    H    THR   3           HN       THR   3 -10.731   2.693   4.039
   12    HA   THR   3           HA       THR   3  -7.976   3.464   4.405
   13    HB   THR   3           HB       THR   3  -8.205   1.150   5.757
   14    HG1  THR   3           HG1      THR   3 -10.614   1.280   6.303
   15   1HG2  THR   3          HG21      THR   3  -8.087   3.581   6.576
   16   2HG2  THR   3          HG22      THR   3  -8.929   2.433   7.617
   17   3HG2  THR   3          HG23      THR   3  -9.850   3.538   6.596
   18    H    LEU   4           HN       LEU   4  -9.547   1.127   2.361
   19    HA   LEU   4           HA       LEU   4  -7.427  -0.763   2.017
   20   1HB   LEU   4          HB2       LEU   4  -9.931  -0.733   1.290
   21   2HB   LEU   4          HB1       LEU   4  -9.342   0.109  -0.144
   22    HG   LEU   4           HG       LEU   4  -7.847  -1.734  -0.674
   23   1HD1  LEU   4          HD11      LEU   4  -8.595  -2.563   2.086
   24   2HD1  LEU   4          HD12      LEU   4  -7.054  -2.719   1.244
   25   3HD1  LEU   4          HD13      LEU   4  -8.362  -3.853   0.907
   26   1HD2  LEU   4          HD21      LEU   4 -10.747  -2.129  -0.289
   27   2HD2  LEU   4          HD22      LEU   4  -9.827  -3.626  -0.449
   28   3HD2  LEU   4          HD23      LEU   4  -9.755  -2.407  -1.721
   29    H    SER   5           HN       SER   5  -8.309   2.096   0.034
   30    HA   SER   5           HA       SER   5  -6.274   2.005  -1.881
   31   1HB   SER   5          HB2       SER   5  -7.888   4.100  -0.507
   32   2HB   SER   5          HB1       SER   5  -6.510   4.657  -1.451
   33    HG   SER   5           HG       SER   5  -7.408   3.872  -3.251
   34    H    THR   6           HN       THR   6  -6.098   3.897   1.167
   35    HA   THR   6           HA       THR   6  -3.399   4.650   1.039
   36    HB   THR   6           HB       THR   6  -3.837   4.195   3.707
   37    HG1  THR   6           HG1      THR   6  -6.254   4.866   3.594
   38   1HG2  THR   6          HG21      THR   6  -3.378   6.361   2.572
   39   2HG2  THR   6          HG22      THR   6  -4.662   6.492   3.773
   40   3HG2  THR   6          HG23      THR   6  -5.063   6.420   2.057
   41    H    PHE   7           HN       PHE   7  -4.606   1.879   2.979
   42    HA   PHE   7           HA       PHE   7  -2.247   0.651   3.698
   43   1HB   PHE   7          HB2       PHE   7  -4.962   0.005   3.508
   44   2HB   PHE   7          HB1       PHE   7  -4.151  -1.271   2.599
   45    HD1  PHE   7           HD1      PHE   7  -3.590   0.685   5.761
   46    HD2  PHE   7           HD2      PHE   7  -3.505  -3.143   3.814
   47    HE1  PHE   7           HE1      PHE   7  -2.880  -0.379   7.885
   48    HE2  PHE   7           HE2      PHE   7  -2.794  -4.207   5.938
   49    HZ   PHE   7           HZ       PHE   7  -2.481  -2.825   7.974
   50    H    PHE   8           HN       PHE   8  -3.824   0.429   0.508
   51    HA   PHE   8           HA       PHE   8  -1.890  -1.395  -0.634
   52   1HB   PHE   8          HB2       PHE   8  -4.316  -0.033  -1.319
   53   2HB   PHE   8          HB1       PHE   8  -3.139   0.268  -2.599
   54    HD1  PHE   8           HD1      PHE   8  -5.491  -2.061  -1.279
   55    HD2  PHE   8           HD2      PHE   8  -1.793  -1.807  -3.449
   56    HE1  PHE   8           HE1      PHE   8  -5.840  -4.359  -2.144
   57    HE2  PHE   8           HE2      PHE   8  -2.142  -4.104  -4.315
   58    HZ   PHE   8           HZ       PHE   8  -4.166  -5.381  -3.662
   59    H    ARG   9           HN       ARG   9  -2.135   2.129  -0.385
   60    HA   ARG   9           HA       ARG   9  -0.049   2.763  -2.275
   61   1HB   ARG   9          HB2       ARG   9  -1.095   4.241   0.164
   62   2HB   ARG   9          HB1       ARG   9  -0.183   4.967  -1.161
   63   1HG   ARG   9          HG2       ARG   9  -2.447   3.441  -2.158
   64   2HG   ARG   9          HG1       ARG   9  -2.966   4.685  -1.020
   65   1HD   ARG   9          HD2       ARG   9  -2.556   6.326  -2.528
   66   2HD   ARG   9          HD1       ARG   9  -0.923   5.703  -2.839
   67    HE   ARG   9           HE       ARG   9  -3.213   5.196  -4.497
   68   1HH1  ARG   9          HH21      ARG   9  -0.003   4.418  -3.977
   69   2HH1  ARG   9          HH22      ARG   9  -0.054   2.885  -4.783
   70   1HH2  ARG   9          HH11      ARG   9  -3.502   2.893  -5.146
   71   2HH2  ARG   9          HH12      ARG   9  -2.035   2.022  -5.445
   72    H    LEU  10           HN       LEU  10  -0.054   2.531   1.302
   73    HA   LEU  10           HA       LEU  10   2.781   2.974   1.594
   74   1HB   LEU  10          HB2       LEU  10   0.569   2.877   3.202
   75   2HB   LEU  10          HB1       LEU  10   1.340   1.342   3.602
   76    HG   LEU  10           HG       LEU  10   2.837   3.973   3.565
   77   1HD1  LEU  10          HD11      LEU  10   1.157   4.199   5.272
   78   2HD1  LEU  10          HD12      LEU  10   2.662   3.775   6.088
   79   3HD1  LEU  10          HD13      LEU  10   1.421   2.548   5.832
   80   1HD2  LEU  10          HD21      LEU  10   4.646   2.729   4.127
   81   2HD2  LEU  10          HD22      LEU  10   3.704   1.331   3.610
   82   3HD2  LEU  10          HD23      LEU  10   3.729   1.798   5.311
   83    H    PHE  11           HN       PHE  11   0.776   0.054   1.268
   84    HA   PHE  11           HA       PHE  11   2.823  -1.872   1.834
   85   1HB   PHE  11          HB2       PHE  11   0.274  -2.112   1.668
   86   2HB   PHE  11          HB1       PHE  11   0.497  -2.173  -0.080
   87    HD1  PHE  11           HD1      PHE  11   0.453  -4.333  -0.935
   88    HD2  PHE  11           HD2      PHE  11   2.267  -3.637   2.896
   89    HE1  PHE  11           HE1      PHE  11   1.046  -6.736  -0.778
   90    HE2  PHE  11           HE2      PHE  11   2.859  -6.040   3.053
   91    HZ   PHE  11           HZ       PHE  11   2.248  -7.589   1.216
   92    H    ASN  12           HN       ASN  12   1.650  -0.522  -1.271
   93    HA   ASN  12           HA       ASN  12   3.510  -1.969  -2.925
   94   1HB   ASN  12          HB2       ASN  12   1.285  -0.414  -3.259
   95   2HB   ASN  12          HB1       ASN  12   2.550   0.691  -3.799
   96   1HD2  ASN  12          HD21      ASN  12   1.903   0.480  -6.065
   97   2HD2  ASN  12          HD22      ASN  12   2.206  -0.943  -6.938
   98    H    ARG  13           HN       ARG  13   3.511   1.453  -1.838
   99    HA   ARG  13           HA       ARG  13   6.084   2.110  -2.897
  100   1HB   ARG  13          HB2       ARG  13   5.850   4.064  -1.454
  101   2HB   ARG  13          HB1       ARG  13   4.269   3.665  -2.126
  102   1HG   ARG  13          HG2       ARG  13   3.540   3.698   0.018
  103   2HG   ARG  13          HG1       ARG  13   4.342   2.135   0.170
  104   1HD   ARG  13          HD2       ARG  13   5.043   3.755   1.956
  105   2HD   ARG  13          HD1       ARG  13   6.406   3.248   0.938
  106    HE   ARG  13           HE       ARG  13   5.104   5.561  -0.193
  107   1HH1  ARG  13          HH21      ARG  13   6.226   5.262   2.922
  108   2HH1  ARG  13          HH22      ARG  13   7.497   6.430   2.781
  109   1HH2  ARG  13          HH11      ARG  13   7.178   6.753  -0.657
  110   2HH2  ARG  13          HH12      ARG  13   8.037   7.274   0.754
  111    H    SER  14           HN       SER  14   5.113   0.433   0.024
  112    HA   SER  14           HA       SER  14   7.652   0.765   1.422
  113   1HB   SER  14          HB2       SER  14   5.693   0.383   2.719
  114   2HB   SER  14          HB1       SER  14   5.190  -0.966   1.703
  115    HG   SER  14           HG       SER  14   6.518  -1.133   3.906
  116    H    PHE  15           HN       PHE  15   6.111  -1.906  -0.399
  117    HA   PHE  15           HA       PHE  15   8.336  -3.726  -0.129
  118   1HB   PHE  15          HB2       PHE  15   5.702  -3.685  -1.120
  119   2HB   PHE  15          HB1       PHE  15   6.710  -4.089  -2.510
  120    HD1  PHE  15           HD1      PHE  15   5.353  -5.244   0.649
  121    HD2  PHE  15           HD2      PHE  15   8.334  -6.016  -2.345
  122    HE1  PHE  15           HE1      PHE  15   5.625  -7.552   1.515
  123    HE2  PHE  15           HE2      PHE  15   8.607  -8.324  -1.479
  124    HZ   PHE  15           HZ       PHE  15   7.252  -9.092   0.451
  125    H    THR  16           HN       THR  16   7.424  -1.307  -2.568
  126    HA   THR  16           HA       THR  16   9.077  -1.884  -4.713
  127    HB   THR  16           HB       THR  16   8.386   0.703  -3.308
  128    HG1  THR  16           HG1      THR  16   6.634   0.161  -4.330
  129   1HG2  THR  16          HG21      THR  16   9.965   0.263  -5.844
  130   2HG2  THR  16          HG22      THR  16  10.394   1.263  -4.456
  131   3HG2  THR  16          HG23      THR  16   9.089   1.761  -5.533
  132    H    GLN  17           HN       GLN  17  10.067  -0.170  -1.727
  133    HA   GLN  17           HA       GLN  17  12.855  -1.117  -2.174
  134   1HB   GLN  17          HB2       GLN  17  11.930   1.418  -2.916
  135   2HB   GLN  17          HB1       GLN  17  12.742   1.686  -1.373
  136   1HG   GLN  17          HG2       GLN  17  14.765   0.609  -2.198
  137   2HG   GLN  17          HG1       GLN  17  13.960   0.187  -3.710
  138   1HE2  GLN  17          HE21      GLN  17  12.984   2.237  -4.891
  139   2HE2  GLN  17          HE22      GLN  17  13.967   3.621  -4.897
  140    H    ALA  18           HN       ALA  18  11.436   1.373  -0.042
  141    HA   ALA  18           HA       ALA  18  11.716  -0.437   2.299
  142   1HB   ALA  18          HB1       ALA  18  13.407   0.816   3.299
  143   2HB   ALA  18          HB2       ALA  18  12.982   2.280   2.411
  144   3HB   ALA  18          HB3       ALA  18  13.851   0.977   1.600
  145   1HN   NH2  19          1HN       NH2  19   9.717   1.549   0.690
  146   2HN   NH2  19          2HN       NH2  19   8.905   2.318   1.968
  Start of MODEL    9
    1   1H    SER   1          1H        SER   1 -14.450   8.383   4.597
    2   2H    SER   1          2H        SER   1 -13.002   8.847   3.840
    3   3H    SER   1          3H        SER   1 -12.963   8.050   5.340
    4    HA   SER   1           HA       SER   1 -13.528   5.998   4.430
    5   1HB   SER   1          HB2       SER   1 -14.612   5.903   2.203
    6   2HB   SER   1          HB1       SER   1 -15.498   6.963   3.295
    7    HG   SER   1           HG       SER   1 -15.252   8.315   1.685
    8    H    GLY   2           HN       GLY   2 -12.638   4.943   2.160
    9   1HA   GLY   2          HA2       GLY   2 -10.842   4.797   0.601
   10   2HA   GLY   2          HA1       GLY   2 -10.268   6.372   1.154
   11    H    THR   3           HN       THR   3 -10.693   3.058   2.453
   12    HA   THR   3           HA       THR   3  -8.281   3.482   4.155
   13    HB   THR   3           HB       THR   3  -9.203   1.167   5.003
   14    HG1  THR   3           HG1      THR   3 -11.648   1.493   4.557
   15   1HG2  THR   3          HG21      THR   3  -9.866   3.918   5.552
   16   2HG2  THR   3          HG22      THR   3  -9.758   2.561   6.675
   17   3HG2  THR   3          HG23      THR   3 -11.275   2.897   5.839
   18    H    LEU   4           HN       LEU   4  -9.632   0.835   2.138
   19    HA   LEU   4           HA       LEU   4  -7.353  -0.762   1.893
   20   1HB   LEU   4          HB2       LEU   4  -9.891  -0.649   0.850
   21   2HB   LEU   4          HB1       LEU   4  -8.908  -0.361  -0.585
   22    HG   LEU   4           HG       LEU   4  -7.505  -2.385   0.221
   23   1HD1  LEU   4          HD11      LEU   4  -9.120  -2.214   2.417
   24   2HD1  LEU   4          HD12      LEU   4  -8.280  -3.684   1.926
   25   3HD1  LEU   4          HD13      LEU   4  -9.967  -3.440   1.475
   26   1HD2  LEU   4          HD21      LEU   4  -8.640  -3.599  -1.340
   27   2HD2  LEU   4          HD22      LEU   4  -9.590  -2.126  -1.543
   28   3HD2  LEU   4          HD23      LEU   4 -10.179  -3.418  -0.495
   29    H    SER   5           HN       SER   5  -8.299   1.927  -0.285
   30    HA   SER   5           HA       SER   5  -6.188   1.912  -2.096
   31   1HB   SER   5          HB2       SER   5  -6.684   4.277  -2.348
   32   2HB   SER   5          HB1       SER   5  -8.189   3.443  -1.969
   33    HG   SER   5           HG       SER   5  -7.329   5.470  -0.724
   34    H    THR   6           HN       THR   6  -6.187   3.843   0.934
   35    HA   THR   6           HA       THR   6  -3.492   4.665   0.873
   36    HB   THR   6           HB       THR   6  -4.018   4.340   3.530
   37    HG1  THR   6           HG1      THR   6  -6.566   4.792   2.506
   38   1HG2  THR   6          HG21      THR   6  -5.615   6.471   2.243
   39   2HG2  THR   6          HG22      THR   6  -3.919   6.410   1.765
   40   3HG2  THR   6          HG23      THR   6  -4.350   6.594   3.465
   41    H    PHE   7           HN       PHE   7  -4.752   1.940   2.849
   42    HA   PHE   7           HA       PHE   7  -2.409   0.786   3.732
   43   1HB   PHE   7          HB2       PHE   7  -5.084  -0.179   2.864
   44   2HB   PHE   7          HB1       PHE   7  -3.843  -1.418   3.054
   45    HD1  PHE   7           HD1      PHE   7  -3.858   1.735   4.974
   46    HD2  PHE   7           HD2      PHE   7  -4.814  -2.452   5.027
   47    HE1  PHE   7           HE1      PHE   7  -4.137   1.831   7.436
   48    HE2  PHE   7           HE2      PHE   7  -5.093  -2.357   7.490
   49    HZ   PHE   7           HZ       PHE   7  -4.755  -0.215   8.694
   50    H    PHE   8           HN       PHE   8  -3.825   0.405   0.481
   51    HA   PHE   8           HA       PHE   8  -1.798  -1.407  -0.501
   52   1HB   PHE   8          HB2       PHE   8  -4.019  -1.211  -1.492
   53   2HB   PHE   8          HB1       PHE   8  -3.745   0.495  -1.843
   54    HD1  PHE   8           HD1      PHE   8  -2.893  -2.964  -2.781
   55    HD2  PHE   8           HD2      PHE   8  -2.254   1.195  -3.646
   56    HE1  PHE   8           HE1      PHE   8  -1.848  -3.575  -4.945
   57    HE2  PHE   8           HE2      PHE   8  -1.210   0.584  -5.812
   58    HZ   PHE   8           HZ       PHE   8  -1.007  -1.801  -6.461
   59    H    ARG   9           HN       ARG   9  -2.137   2.118  -0.405
   60    HA   ARG   9           HA       ARG   9   0.012   2.752  -2.210
   61   1HB   ARG   9          HB2       ARG   9  -1.909   4.184  -1.226
   62   2HB   ARG   9          HB1       ARG   9  -0.868   4.374   0.185
   63   1HG   ARG   9          HG2       ARG   9   0.189   6.043  -0.893
   64   2HG   ARG   9          HG1       ARG   9   0.780   4.854  -2.054
   65   1HD   ARG   9          HD2       ARG   9  -0.367   6.242  -3.517
   66   2HD   ARG   9          HD1       ARG   9  -1.715   5.193  -3.033
   67    HE   ARG   9           HE       ARG   9  -2.166   6.920  -1.210
   68   1HH1  ARG   9          HH21      ARG   9   0.452   8.277  -2.485
   69   2HH1  ARG   9          HH22      ARG   9  -0.295   9.701  -3.129
   70   1HH2  ARG   9          HH11      ARG   9  -3.527   8.506  -2.729
   71   2HH2  ARG   9          HH12      ARG   9  -2.549   9.830  -3.268
   72    H    LEU  10           HN       LEU  10  -0.126   2.443   1.350
   73    HA   LEU  10           HA       LEU  10   2.689   2.983   1.758
   74   1HB   LEU  10          HB2       LEU  10   0.854   3.254   3.431
   75   2HB   LEU  10          HB1       LEU  10   0.662   1.501   3.467
   76    HG   LEU  10           HG       LEU  10   3.412   2.557   3.899
   77   1HD1  LEU  10          HD11      LEU  10   2.138   4.098   5.282
   78   2HD1  LEU  10          HD12      LEU  10   2.894   2.898   6.330
   79   3HD1  LEU  10          HD13      LEU  10   1.179   2.773   5.940
   80   1HD2  LEU  10          HD21      LEU  10   1.722   0.380   5.174
   81   2HD2  LEU  10          HD22      LEU  10   3.426   0.672   5.519
   82   3HD2  LEU  10          HD23      LEU  10   2.930   0.145   3.910
   83    H    PHE  11           HN       PHE  11   0.757   0.021   1.356
   84    HA   PHE  11           HA       PHE  11   2.850  -1.850   1.980
   85   1HB   PHE  11          HB2       PHE  11   0.167  -1.796   0.715
   86   2HB   PHE  11          HB1       PHE  11   1.189  -3.160   0.259
   87    HD1  PHE  11           HD1      PHE  11  -1.402  -2.700   2.229
   88    HD2  PHE  11           HD2      PHE  11   2.774  -3.578   2.716
   89    HE1  PHE  11           HE1      PHE  11  -1.885  -3.791   4.402
   90    HE2  PHE  11           HE2      PHE  11   2.291  -4.670   4.890
   91    HZ   PHE  11           HZ       PHE  11  -0.039  -4.777   5.732
   92    H    ASN  12           HN       ASN  12   1.605  -0.687  -1.178
   93    HA   ASN  12           HA       ASN  12   3.567  -2.039  -2.777
   94   1HB   ASN  12          HB2       ASN  12   1.300  -0.952  -3.375
   95   2HB   ASN  12          HB1       ASN  12   2.189   0.570  -3.439
   96   1HD2  ASN  12          HD21      ASN  12   2.048  -2.697  -4.899
   97   2HD2  ASN  12          HD22      ASN  12   2.839  -2.261  -6.337
   98    H    ARG  13           HN       ARG  13   3.448   1.259  -1.413
   99    HA   ARG  13           HA       ARG  13   5.813   2.282  -2.625
  100   1HB   ARG  13          HB2       ARG  13   4.298   3.752  -1.520
  101   2HB   ARG  13          HB1       ARG  13   4.335   2.797  -0.037
  102   1HG   ARG  13          HG2       ARG  13   6.981   3.755  -0.893
  103   2HG   ARG  13          HG1       ARG  13   5.853   5.048  -0.486
  104   1HD   ARG  13          HD2       ARG  13   5.338   3.593   1.635
  105   2HD   ARG  13          HD1       ARG  13   6.907   2.844   1.276
  106    HE   ARG  13           HE       ARG  13   7.561   5.458   1.069
  107   1HH1  ARG  13          HH11      ARG  13   7.271   3.442   3.622
  108   2HH1  ARG  13          HH12      ARG  13   6.924   4.647   4.817
  109   1HH2  ARG  13          HH21      ARG  13   6.407   7.174   2.501
  110   2HH2  ARG  13          HH22      ARG  13   6.435   6.760   4.183
  111    H    SER  14           HN       SER  14   5.379   0.660   0.544
  112    HA   SER  14           HA       SER  14   8.162   0.705   1.270
  113   1HB   SER  14          HB2       SER  14   6.544   0.375   2.971
  114   2HB   SER  14          HB1       SER  14   5.714  -0.880   2.057
  115    HG   SER  14           HG       SER  14   8.233  -0.995   3.351
  116    H    PHE  15           HN       PHE  15   6.147  -1.657  -0.468
  117    HA   PHE  15           HA       PHE  15   8.020  -3.807  -0.567
  118   1HB   PHE  15          HB2       PHE  15   5.494  -3.565  -1.218
  119   2HB   PHE  15          HB1       PHE  15   6.123  -3.103  -2.799
  120    HD1  PHE  15           HD1      PHE  15   8.400  -4.736  -3.289
  121    HD2  PHE  15           HD2      PHE  15   4.775  -5.782  -1.235
  122    HE1  PHE  15           HE1      PHE  15   8.779  -7.124  -3.839
  123    HE2  PHE  15           HE2      PHE  15   5.154  -8.171  -1.785
  124    HZ   PHE  15           HZ       PHE  15   7.156  -8.842  -3.087
  125    H    THR  16           HN       THR  16   7.421  -1.153  -2.900
  126    HA   THR  16           HA       THR  16   9.306  -1.845  -4.873
  127    HB   THR  16           HB       THR  16   8.987   1.008  -4.028
  128    HG1  THR  16           HG1      THR  16   6.918   0.826  -3.903
  129   1HG2  THR  16          HG21      THR  16   8.188   0.002  -6.697
  130   2HG2  THR  16          HG22      THR  16   9.892  -0.195  -6.284
  131   3HG2  THR  16          HG23      THR  16   9.160   1.410  -6.267
  132    H    GLN  17           HN       GLN  17   9.809  -0.329  -1.719
  133    HA   GLN  17           HA       GLN  17  12.584   0.409  -2.218
  134   1HB   GLN  17          HB2       GLN  17  11.329   1.641  -0.602
  135   2HB   GLN  17          HB1       GLN  17  10.785   0.167   0.202
  136   1HG   GLN  17          HG2       GLN  17  12.784  -0.136   1.307
  137   2HG   GLN  17          HG1       GLN  17  13.727   0.621   0.023
  138   1HE2  GLN  17          HE21      GLN  17  11.271   1.507   2.518
  139   2HE2  GLN  17          HE22      GLN  17  11.920   3.045   2.818
  140    H    ALA  18           HN       ALA  18  11.223  -1.935   0.132
  141    HA   ALA  18           HA       ALA  18  13.307  -3.907  -0.653
  142   1HB   ALA  18          HB1       ALA  18  14.593  -3.192   1.073
  143   2HB   ALA  18          HB2       ALA  18  13.372  -3.883   2.139
  144   3HB   ALA  18          HB3       ALA  18  13.295  -2.176   1.702
  145   1HN   NH2  19          1HN       NH2  19  11.434  -5.249  -1.319
  146   2HN   NH2  19          2HN       NH2  19  10.417  -5.962  -0.162
  Start of MODEL   10
    1   1H    SER   1          1H        SER   1 -11.455   8.010   0.314
    2   2H    SER   1          2H        SER   1 -11.491   8.461   1.951
    3   3H    SER   1          3H        SER   1 -12.274   9.418   0.786
    4    HA   SER   1           HA       SER   1 -13.730   7.886   2.205
    5   1HB   SER   1          HB2       SER   1 -14.849   7.279  -0.161
    6   2HB   SER   1          HB1       SER   1 -14.808   8.930   0.452
    7    HG   SER   1           HG       SER   1 -13.595   7.858  -1.714
    8    H    GLY   2           HN       GLY   2 -11.504   6.286   2.472
    9   1HA   GLY   2          HA2       GLY   2 -12.373   3.678   2.427
   10   2HA   GLY   2          HA1       GLY   2 -11.716   3.894   0.805
   11    H    THR   3           HN       THR   3 -10.823   2.467   3.461
   12    HA   THR   3           HA       THR   3  -8.177   3.703   3.900
   13    HB   THR   3           HB       THR   3  -8.173   1.406   5.324
   14    HG1  THR   3           HG1      THR   3 -10.093   0.620   4.587
   15   1HG2  THR   3          HG21      THR   3  -9.180   4.143   5.773
   16   2HG2  THR   3          HG22      THR   3  -8.035   3.195   6.720
   17   3HG2  THR   3          HG23      THR   3  -9.768   2.945   6.924
   18    H    LEU   4           HN       LEU   4  -9.561   0.802   2.385
   19    HA   LEU   4           HA       LEU   4  -7.381  -0.816   1.895
   20   1HB   LEU   4          HB2       LEU   4  -9.952  -0.273   0.768
   21   2HB   LEU   4          HB1       LEU   4  -8.814  -0.484  -0.563
   22    HG   LEU   4           HG       LEU   4  -7.993  -2.563   0.773
   23   1HD1  LEU   4          HD11      LEU   4 -10.537  -1.795   2.158
   24   2HD1  LEU   4          HD12      LEU   4  -9.057  -2.476   2.834
   25   3HD1  LEU   4          HD13      LEU   4 -10.177  -3.509   1.945
   26   1HD2  LEU   4          HD21      LEU   4 -10.745  -3.087  -0.194
   27   2HD2  LEU   4          HD22      LEU   4  -9.219  -3.812  -0.698
   28   3HD2  LEU   4          HD23      LEU   4  -9.696  -2.236  -1.327
   29    H    SER   5           HN       SER   5  -8.305   1.980  -0.160
   30    HA   SER   5           HA       SER   5  -6.223   1.951  -2.014
   31   1HB   SER   5          HB2       SER   5  -7.328   4.389  -0.587
   32   2HB   SER   5          HB1       SER   5  -6.680   4.329  -2.224
   33    HG   SER   5           HG       SER   5  -9.049   4.217  -1.967
   34    H    THR   6           HN       THR   6  -6.149   3.868   1.023
   35    HA   THR   6           HA       THR   6  -3.457   4.659   0.948
   36    HB   THR   6           HB       THR   6  -4.007   4.165   3.622
   37    HG1  THR   6           HG1      THR   6  -6.369   4.989   3.382
   38   1HG2  THR   6          HG21      THR   6  -4.171   6.381   1.723
   39   2HG2  THR   6          HG22      THR   6  -3.571   6.367   3.382
   40   3HG2  THR   6          HG23      THR   6  -5.297   6.558   3.070
   41    H    PHE   7           HN       PHE   7  -4.662   1.914   2.925
   42    HA   PHE   7           HA       PHE   7  -2.296   0.728   3.695
   43   1HB   PHE   7          HB2       PHE   7  -5.007   0.047   3.484
   44   2HB   PHE   7          HB1       PHE   7  -4.162  -1.245   2.630
   45    HD1  PHE   7           HD1      PHE   7  -3.657   0.822   5.729
   46    HD2  PHE   7           HD2      PHE   7  -3.537  -3.072   3.920
   47    HE1  PHE   7           HE1      PHE   7  -2.967  -0.165   7.898
   48    HE2  PHE   7           HE2      PHE   7  -2.846  -4.058   6.089
   49    HZ   PHE   7           HZ       PHE   7  -2.562  -2.605   8.077
   50    H    PHE   8           HN       PHE   8  -3.848   0.397   0.499
   51    HA   PHE   8           HA       PHE   8  -1.894  -1.433  -0.586
   52   1HB   PHE   8          HB2       PHE   8  -4.169   0.252  -1.482
   53   2HB   PHE   8          HB1       PHE   8  -2.992  -0.161  -2.730
   54    HD1  PHE   8           HD1      PHE   8  -2.928  -2.329  -3.679
   55    HD2  PHE   8           HD2      PHE   8  -5.165  -1.635  -0.079
   56    HE1  PHE   8           HE1      PHE   8  -3.892  -4.608  -3.839
   57    HE2  PHE   8           HE2      PHE   8  -6.130  -3.914  -0.239
   58    HZ   PHE   8           HZ       PHE   8  -5.494  -5.400  -2.118
   59    H    ARG   9           HN       ARG   9  -2.135   2.094  -0.396
   60    HA   ARG   9           HA       ARG   9  -0.001   2.664  -2.270
   61   1HB   ARG   9          HB2       ARG   9  -1.941   4.115  -1.281
   62   2HB   ARG   9          HB1       ARG   9  -0.821   4.403   0.051
   63   1HG   ARG   9          HG2       ARG   9   0.328   5.897  -1.176
   64   2HG   ARG   9          HG1       ARG   9   0.563   4.710  -2.460
   65   1HD   ARG   9          HD2       ARG   9  -0.896   5.864  -3.750
   66   2HD   ARG   9          HD1       ARG   9  -2.170   5.553  -2.555
   67    HE   ARG   9           HE       ARG   9  -0.346   7.919  -2.514
   68   1HH1  ARG   9          HH11      ARG   9  -3.460   7.694  -2.930
   69   2HH1  ARG   9          HH12      ARG   9  -3.993   8.355  -1.419
   70   1HH2  ARG   9          HH21      ARG   9  -0.877   8.125   0.085
   71   2HH2  ARG   9          HH22      ARG   9  -2.531   8.598   0.287
   72    H    LEU  10           HN       LEU  10  -0.156   2.483   1.300
   73    HA   LEU  10           HA       LEU  10   2.641   3.049   1.726
   74   1HB   LEU  10          HB2       LEU  10   0.546   3.116   3.289
   75   2HB   LEU  10          HB1       LEU  10   0.884   1.403   3.541
   76    HG   LEU  10           HG       LEU  10   3.375   2.444   3.866
   77   1HD1  LEU  10          HD11      LEU  10   1.944   4.406   5.512
   78   2HD1  LEU  10          HD12      LEU  10   1.793   4.714   3.783
   79   3HD1  LEU  10          HD13      LEU  10   3.390   4.612   4.524
   80   1HD2  LEU  10          HD21      LEU  10   2.942   1.211   5.709
   81   2HD2  LEU  10          HD22      LEU  10   1.207   1.485   5.554
   82   3HD2  LEU  10          HD23      LEU  10   2.211   2.654   6.410
   83    H    PHE  11           HN       PHE  11   0.777   0.044   1.322
   84    HA   PHE  11           HA       PHE  11   2.943  -1.757   1.955
   85   1HB   PHE  11          HB2       PHE  11   0.277  -1.957   1.634
   86   2HB   PHE  11          HB1       PHE  11   0.784  -2.505   0.036
   87    HD1  PHE  11           HD1      PHE  11   2.440  -4.414  -0.146
   88    HD2  PHE  11           HD2      PHE  11   0.527  -3.347   3.548
   89    HE1  PHE  11           HE1      PHE  11   3.026  -6.631   0.798
   90    HE2  PHE  11           HE2      PHE  11   1.112  -5.564   4.492
   91    HZ   PHE  11           HZ       PHE  11   2.362  -7.206   3.117
   92    H    ASN  12           HN       ASN  12   1.641  -0.514  -1.137
   93    HA   ASN  12           HA       ASN  12   3.464  -1.936  -2.841
   94   1HB   ASN  12          HB2       ASN  12   1.507   0.279  -2.969
   95   2HB   ASN  12          HB1       ASN  12   2.763   0.334  -4.207
   96   1HD2  ASN  12          HD21      ASN  12   1.396  -2.627  -2.729
   97   2HD2  ASN  12          HD22      ASN  12   0.730  -3.229  -4.170
   98    H    ARG  13           HN       ARG  13   3.552   1.381  -1.497
   99    HA   ARG  13           HA       ARG  13   6.020   2.168  -2.721
  100   1HB   ARG  13          HB2       ARG  13   4.087   3.411  -1.377
  101   2HB   ARG  13          HB1       ARG  13   5.175   3.141  -0.015
  102   1HG   ARG  13          HG2       ARG  13   6.696   4.072  -2.275
  103   2HG   ARG  13          HG1       ARG  13   5.352   5.175  -1.981
  104   1HD   ARG  13          HD2       ARG  13   7.399   4.267   0.077
  105   2HD   ARG  13          HD1       ARG  13   7.252   5.893  -0.620
  106    HE   ARG  13           HE       ARG  13   5.635   4.892   1.521
  107   1HH1  ARG  13          HH21      ARG  13   5.920   7.247  -0.893
  108   2HH1  ARG  13          HH22      ARG  13   4.305   7.850  -0.725
  109   1HH2  ARG  13          HH11      ARG  13   3.332   5.375   1.502
  110   2HH2  ARG  13          HH12      ARG  13   2.840   6.790   0.631
  111    H    SER  14           HN       SER  14   5.304   0.671   0.443
  112    HA   SER  14           HA       SER  14   7.981   0.702   1.461
  113   1HB   SER  14          HB2       SER  14   5.452  -0.847   1.946
  114   2HB   SER  14          HB1       SER  14   6.930  -1.325   2.776
  115    HG   SER  14           HG       SER  14   6.089   1.366   2.725
  116    H    PHE  15           HN       PHE  15   6.164  -1.821  -0.315
  117    HA   PHE  15           HA       PHE  15   8.339  -3.722  -0.360
  118   1HB   PHE  15          HB2       PHE  15   5.627  -3.600  -1.001
  119   2HB   PHE  15          HB1       PHE  15   6.415  -3.866  -2.557
  120    HD1  PHE  15           HD1      PHE  15   5.325  -5.391   0.495
  121    HD2  PHE  15           HD2      PHE  15   8.201  -5.739  -2.677
  122    HE1  PHE  15           HE1      PHE  15   5.683  -7.773   1.081
  123    HE2  PHE  15           HE2      PHE  15   8.559  -8.122  -2.089
  124    HZ   PHE  15           HZ       PHE  15   7.301  -9.139  -0.210
  125    H    THR  16           HN       THR  16   7.408  -1.019  -2.416
  126    HA   THR  16           HA       THR  16   9.223  -1.791  -4.599
  127    HB   THR  16           HB       THR  16   7.604   0.702  -3.981
  128    HG1  THR  16           HG1      THR  16   6.040  -0.446  -4.731
  129   1HG2  THR  16          HG21      THR  16   7.917   0.787  -6.635
  130   2HG2  THR  16          HG22      THR  16   9.413  -0.053  -6.227
  131   3HG2  THR  16          HG23      THR  16   9.080   1.535  -5.539
  132    H    GLN  17           HN       GLN  17   9.276   0.297  -1.765
  133    HA   GLN  17           HA       GLN  17  11.845   1.533  -2.608
  134   1HB   GLN  17          HB2       GLN  17   9.702   2.599  -1.462
  135   2HB   GLN  17          HB1       GLN  17  10.464   2.005   0.014
  136   1HG   GLN  17          HG2       GLN  17  12.451   3.273  -1.642
  137   2HG   GLN  17          HG1       GLN  17  11.091   4.372  -1.407
  138   1HE2  GLN  17          HE21      GLN  17  10.313   4.481   1.008
  139   2HE2  GLN  17          HE22      GLN  17  11.533   4.480   2.189
  140    H    ALA  18           HN       ALA  18  10.743  -1.162  -0.839
  141    HA   ALA  18           HA       ALA  18  11.869  -2.690   0.569
  142   1HB   ALA  18          HB1       ALA  18  13.545  -2.980  -0.995
  143   2HB   ALA  18          HB2       ALA  18  14.505  -2.248   0.289
  144   3HB   ALA  18          HB3       ALA  18  13.928  -1.260  -1.052
  145   1HN   NH2  19          1HN       NH2  19  10.850  -0.605   2.073
  146   2HN   NH2  19          2HN       NH2  19  11.974  -0.075   3.229
  Start of MODEL   11
    1   1H    SER   1          1H        SER   1 -11.099  -3.935   4.354
    2   2H    SER   1          2H        SER   1 -11.534  -3.054   2.968
    3   3H    SER   1          3H        SER   1 -11.914  -4.706   3.082
    4    HA   SER   1           HA       SER   1 -13.942  -3.886   3.668
    5   1HB   SER   1          HB2       SER   1 -13.518  -3.456   6.351
    6   2HB   SER   1          HB1       SER   1 -13.648  -5.047   5.606
    7    HG   SER   1           HG       SER   1 -11.623  -4.172   6.909
    8    H    GLY   2           HN       GLY   2 -14.138  -1.816   2.586
    9   1HA   GLY   2          HA2       GLY   2 -15.051   0.401   3.443
   10   2HA   GLY   2          HA1       GLY   2 -13.533   0.538   4.332
   11    H    THR   3           HN       THR   3 -11.550   0.090   2.712
   12    HA   THR   3           HA       THR   3 -11.980   1.191   0.014
   13    HB   THR   3           HB       THR   3 -10.098   2.750   1.727
   14    HG1  THR   3           HG1      THR   3 -11.672   3.006   3.112
   15   1HG2  THR   3          HG21      THR   3 -10.260   4.170  -0.011
   16   2HG2  THR   3          HG22      THR   3 -12.017   4.213   0.125
   17   3HG2  THR   3          HG23      THR   3 -11.237   2.953  -0.833
   18    H    LEU   4           HN       LEU   4  -9.364   0.876   2.454
   19    HA   LEU   4           HA       LEU   4  -7.366  -0.404   2.364
   20   1HB   LEU   4          HB2       LEU   4  -9.261  -1.790   0.895
   21   2HB   LEU   4          HB1       LEU   4  -7.938  -1.604  -0.257
   22    HG   LEU   4           HG       LEU   4  -6.756  -2.272   2.232
   23   1HD1  LEU   4          HD11      LEU   4  -8.935  -4.236   1.480
   24   2HD1  LEU   4          HD12      LEU   4  -9.101  -3.070   2.794
   25   3HD1  LEU   4          HD13      LEU   4  -7.853  -4.314   2.870
   26   1HD2  LEU   4          HD21      LEU   4  -6.654  -3.010  -0.478
   27   2HD2  LEU   4          HD22      LEU   4  -7.017  -4.503   0.388
   28   3HD2  LEU   4          HD23      LEU   4  -5.580  -3.568   0.805
   29    H    SER   5           HN       SER   5  -8.305   1.978   0.214
   30    HA   SER   5           HA       SER   5  -6.391   1.959  -1.863
   31   1HB   SER   5          HB2       SER   5  -6.779   4.442  -1.786
   32   2HB   SER   5          HB1       SER   5  -8.269   3.504  -1.733
   33    HG   SER   5           HG       SER   5  -8.220   5.145  -0.137
   34    H    THR   6           HN       THR   6  -6.111   3.981   1.084
   35    HA   THR   6           HA       THR   6  -3.406   4.657   0.864
   36    HB   THR   6           HB       THR   6  -3.761   4.395   3.555
   37    HG1  THR   6           HG1      THR   6  -6.143   4.963   3.627
   38   1HG2  THR   6          HG21      THR   6  -5.371   6.601   2.682
   39   2HG2  THR   6          HG22      THR   6  -4.011   6.417   1.574
   40   3HG2  THR   6          HG23      THR   6  -3.721   6.626   3.301
   41    H    PHE   7           HN       PHE   7  -4.669   1.963   2.881
   42    HA   PHE   7           HA       PHE   7  -2.330   0.739   3.686
   43   1HB   PHE   7          HB2       PHE   7  -5.067   0.085   3.357
   44   2HB   PHE   7          HB1       PHE   7  -4.155  -1.250   2.649
   45    HD1  PHE   7           HD1      PHE   7  -4.186  -2.987   4.230
   46    HD2  PHE   7           HD2      PHE   7  -3.308   1.021   5.502
   47    HE1  PHE   7           HE1      PHE   7  -3.645  -3.825   6.500
   48    HE2  PHE   7           HE2      PHE   7  -2.767   0.182   7.772
   49    HZ   PHE   7           HZ       PHE   7  -2.936  -2.241   8.271
   50    H    PHE   8           HN       PHE   8  -3.862   0.421   0.478
   51    HA   PHE   8           HA       PHE   8  -1.901  -1.424  -0.582
   52   1HB   PHE   8          HB2       PHE   8  -4.318  -0.069  -1.351
   53   2HB   PHE   8          HB1       PHE   8  -3.120   0.147  -2.627
   54    HD1  PHE   8           HD1      PHE   8  -4.475  -2.518  -0.357
   55    HD2  PHE   8           HD2      PHE   8  -2.841  -1.547  -4.209
   56    HE1  PHE   8           HE1      PHE   8  -4.847  -4.853  -1.103
   57    HE2  PHE   8           HE2      PHE   8  -3.214  -3.881  -4.956
   58    HZ   PHE   8           HZ       PHE   8  -4.217  -5.535  -3.404
   59    H    ARG   9           HN       ARG   9  -2.187   2.109  -0.474
   60    HA   ARG   9           HA       ARG   9  -0.057   2.687  -2.333
   61   1HB   ARG   9          HB2       ARG   9  -1.998   4.115  -1.248
   62   2HB   ARG   9          HB1       ARG   9  -0.793   4.436  -0.002
   63   1HG   ARG   9          HG2       ARG   9   0.272   5.907  -1.332
   64   2HG   ARG   9          HG1       ARG   9   0.399   4.708  -2.620
   65   1HD   ARG   9          HD2       ARG   9  -1.985   6.515  -2.073
   66   2HD   ARG   9          HD1       ARG   9  -0.898   6.585  -3.474
   67    HE   ARG   9           HE       ARG   9  -1.679   4.181  -3.932
   68   1HH1  ARG   9          HH11      ARG   9  -3.444   5.484  -1.401
   69   2HH1  ARG   9          HH12      ARG   9  -5.003   5.184  -2.095
   70   1HH2  ARG   9          HH21      ARG   9  -3.738   4.211  -5.174
   71   2HH2  ARG   9          HH22      ARG   9  -5.169   4.463  -4.231
   72    H    LEU  10           HN       LEU  10  -0.170   2.485   1.238
   73    HA   LEU  10           HA       LEU  10   2.635   3.038   1.632
   74   1HB   LEU  10          HB2       LEU  10   0.848   3.307   3.327
   75   2HB   LEU  10          HB1       LEU  10   0.593   1.562   3.329
   76    HG   LEU  10           HG       LEU  10   3.391   2.430   3.758
   77   1HD1  LEU  10          HD11      LEU  10   2.076   4.127   5.045
   78   2HD1  LEU  10          HD12      LEU  10   3.035   3.068   6.081
   79   3HD1  LEU  10          HD13      LEU  10   1.298   2.808   5.919
   80   1HD2  LEU  10          HD21      LEU  10   1.591   0.531   5.293
   81   2HD2  LEU  10          HD22      LEU  10   3.354   0.578   5.319
   82   3HD2  LEU  10          HD23      LEU  10   2.507   0.065   3.859
   83    H    PHE  11           HN       PHE  11   0.746   0.038   1.290
   84    HA   PHE  11           HA       PHE  11   2.868  -1.796   1.889
   85   1HB   PHE  11          HB2       PHE  11   0.250  -2.014   1.581
   86   2HB   PHE  11          HB1       PHE  11   0.684  -2.372  -0.091
   87    HD1  PHE  11           HD1      PHE  11   1.105  -3.446   3.432
   88    HD2  PHE  11           HD2      PHE  11   1.770  -4.431  -0.695
   89    HE1  PHE  11           HE1      PHE  11   1.707  -5.762   4.083
   90    HE2  PHE  11           HE2      PHE  11   2.371  -6.747  -0.045
   91    HZ   PHE  11           HZ       PHE  11   2.340  -7.413   2.344
   92    H    ASN  12           HN       ASN  12   1.693  -0.439  -1.204
   93    HA   ASN  12           HA       ASN  12   3.554  -1.861  -2.880
   94   1HB   ASN  12          HB2       ASN  12   1.487  -0.858  -3.699
   95   2HB   ASN  12          HB1       ASN  12   2.029   0.744  -3.197
   96   1HD2  ASN  12          HD21      ASN  12   2.840  -1.935  -5.447
   97   2HD2  ASN  12          HD22      ASN  12   3.643  -0.952  -6.572
   98    H    ARG  13           HN       ARG  13   3.587   1.474  -1.568
   99    HA   ARG  13           HA       ARG  13   6.086   2.276  -2.672
  100   1HB   ARG  13          HB2       ARG  13   4.617   3.902  -1.749
  101   2HB   ARG  13          HB1       ARG  13   4.479   3.025  -0.225
  102   1HG   ARG  13          HG2       ARG  13   7.240   3.764  -0.934
  103   2HG   ARG  13          HG1       ARG  13   6.177   5.143  -0.652
  104   1HD   ARG  13          HD2       ARG  13   5.586   4.331   1.553
  105   2HD   ARG  13          HD1       ARG  13   6.441   2.802   1.267
  106    HE   ARG  13           HE       ARG  13   8.553   4.037   1.275
  107   1HH1  ARG  13          HH21      ARG  13   6.897   6.623   0.499
  108   2HH1  ARG  13          HH22      ARG  13   7.239   7.592   1.893
  109   1HH2  ARG  13          HH11      ARG  13   8.498   4.949   3.752
  110   2HH2  ARG  13          HH12      ARG  13   8.145   6.645   3.735
  111    H    SER  14           HN       SER  14   5.303   0.571   0.353
  112    HA   SER  14           HA       SER  14   7.986   0.611   1.427
  113   1HB   SER  14          HB2       SER  14   5.388  -0.785   1.910
  114   2HB   SER  14          HB1       SER  14   6.831  -1.477   2.646
  115    HG   SER  14           HG       SER  14   6.565   0.021   4.091
  116    H    PHE  15           HN       PHE  15   6.115  -1.899  -0.320
  117    HA   PHE  15           HA       PHE  15   8.119  -3.909  -0.374
  118   1HB   PHE  15          HB2       PHE  15   5.536  -3.515  -1.285
  119   2HB   PHE  15          HB1       PHE  15   6.454  -3.659  -2.784
  120    HD1  PHE  15           HD1      PHE  15   5.803  -5.324   0.489
  121    HD2  PHE  15           HD2      PHE  15   7.275  -5.757  -3.523
  122    HE1  PHE  15           HE1      PHE  15   5.938  -7.780   0.804
  123    HE2  PHE  15           HE2      PHE  15   7.410  -8.214  -3.208
  124    HZ   PHE  15           HZ       PHE  15   6.741  -9.225  -1.045
  125    H    THR  16           HN       THR  16   7.474  -1.243  -2.664
  126    HA   THR  16           HA       THR  16   9.510  -1.952  -4.562
  127    HB   THR  16           HB       THR  16   8.111   0.631  -3.811
  128    HG1  THR  16           HG1      THR  16   6.643  -0.549  -4.780
  129   1HG2  THR  16          HG21      THR  16  10.437   0.262  -5.440
  130   2HG2  THR  16          HG22      THR  16   9.525   1.745  -5.154
  131   3HG2  THR  16          HG23      THR  16   9.080   0.679  -6.487
  132    H    GLN  17           HN       GLN  17   9.648  -0.468  -1.430
  133    HA   GLN  17           HA       GLN  17  12.257   0.828  -1.883
  134   1HB   GLN  17          HB2       GLN  17  10.603   1.851  -0.421
  135   2HB   GLN  17          HB1       GLN  17  10.484   0.376   0.538
  136   1HG   GLN  17          HG2       GLN  17  12.999   0.651   0.981
  137   2HG   GLN  17          HG1       GLN  17  12.817   2.286   0.341
  138   1HE2  GLN  17          HE21      GLN  17  13.510   1.731   3.109
  139   2HE2  GLN  17          HE22      GLN  17  12.234   2.294   4.077
  140    H    ALA  18           HN       ALA  18  11.024  -1.836   0.184
  141    HA   ALA  18           HA       ALA  18  13.735  -2.712   0.868
  142   1HB   ALA  18          HB1       ALA  18  12.439  -3.396   2.593
  143   2HB   ALA  18          HB2       ALA  18  11.859  -4.687   1.540
  144   3HB   ALA  18          HB3       ALA  18  10.966  -3.169   1.647
  145   1HN   NH2  19          1HN       NH2  19  14.646  -3.295  -1.273
  146   2HN   NH2  19          2HN       NH2  19  14.125  -4.686  -2.093
  Start of MODEL   12
    1   1H    SER   1          1H        SER   1 -12.332   9.421   4.944
    2   2H    SER   1          2H        SER   1 -13.343   8.364   5.806
    3   3H    SER   1          3H        SER   1 -12.780   7.935   4.262
    4    HA   SER   1           HA       SER   1 -10.762   8.508   6.306
    5   1HB   SER   1          HB2       SER   1 -12.769   6.265   6.288
    6   2HB   SER   1          HB1       SER   1 -11.154   5.990   6.930
    7    HG   SER   1           HG       SER   1 -11.578   7.958   8.208
    8    H    GLY   2           HN       GLY   2 -12.040   6.069   4.001
    9   1HA   GLY   2          HA2       GLY   2 -10.953   4.883   2.293
   10   2HA   GLY   2          HA1       GLY   2  -9.915   6.301   2.134
   11    H    THR   3           HN       THR   3 -10.167   3.093   3.426
   12    HA   THR   3           HA       THR   3  -7.449   3.355   4.661
   13    HB   THR   3           HB       THR   3  -9.525   1.176   5.024
   14    HG1  THR   3           HG1      THR   3 -10.573   2.537   6.199
   15   1HG2  THR   3          HG21      THR   3  -8.084   0.287   6.518
   16   2HG2  THR   3          HG22      THR   3  -7.731   1.861   7.230
   17   3HG2  THR   3          HG23      THR   3  -6.865   1.331   5.787
   18    H    LEU   4           HN       LEU   4  -9.459   1.151   2.676
   19    HA   LEU   4           HA       LEU   4  -7.545  -0.783   1.998
   20   1HB   LEU   4          HB2       LEU   4 -10.097  -0.339   1.392
   21   2HB   LEU   4          HB1       LEU   4  -9.396   0.318  -0.088
   22    HG   LEU   4           HG       LEU   4  -7.989  -1.941   0.000
   23   1HD1  LEU   4          HD11      LEU   4 -10.371  -3.329   0.849
   24   2HD1  LEU   4          HD12      LEU   4  -9.808  -2.270   2.143
   25   3HD1  LEU   4          HD13      LEU   4  -8.724  -3.485   1.464
   26   1HD2  LEU   4          HD21      LEU   4 -10.174  -0.984  -1.439
   27   2HD2  LEU   4          HD22      LEU   4 -10.697  -2.580  -0.899
   28   3HD2  LEU   4          HD23      LEU   4  -9.217  -2.409  -1.843
   29    H    SER   5           HN       SER   5  -8.350   2.048  -0.060
   30    HA   SER   5           HA       SER   5  -6.274   1.859  -1.917
   31   1HB   SER   5          HB2       SER   5  -7.301   4.405  -0.631
   32   2HB   SER   5          HB1       SER   5  -6.683   4.221  -2.269
   33    HG   SER   5           HG       SER   5  -9.112   3.384  -1.145
   34    H    THR   6           HN       THR   6  -6.150   3.932   1.015
   35    HA   THR   6           HA       THR   6  -3.459   4.685   0.910
   36    HB   THR   6           HB       THR   6  -3.904   4.349   3.581
   37    HG1  THR   6           HG1      THR   6  -5.821   3.346   3.480
   38   1HG2  THR   6          HG21      THR   6  -3.996   6.592   3.436
   39   2HG2  THR   6          HG22      THR   6  -5.547   6.523   2.598
   40   3HG2  THR   6          HG23      THR   6  -4.044   6.414   1.682
   41    H    PHE   7           HN       PHE   7  -4.675   1.963   2.913
   42    HA   PHE   7           HA       PHE   7  -2.312   0.782   3.708
   43   1HB   PHE   7          HB2       PHE   7  -5.024   0.102   3.485
   44   2HB   PHE   7          HB1       PHE   7  -4.172  -1.200   2.654
   45    HD1  PHE   7           HD1      PHE   7  -4.056   0.823   5.807
   46    HD2  PHE   7           HD2      PHE   7  -3.192  -2.926   3.898
   47    HE1  PHE   7           HE1      PHE   7  -3.386  -0.136   7.994
   48    HE2  PHE   7           HE2      PHE   7  -2.522  -3.885   6.084
   49    HZ   PHE   7           HZ       PHE   7  -2.618  -2.491   8.132
   50    H    PHE   8           HN       PHE   8  -3.853   0.442   0.510
   51    HA   PHE   8           HA       PHE   8  -1.909  -1.404  -0.564
   52   1HB   PHE   8          HB2       PHE   8  -4.351  -0.540  -1.275
   53   2HB   PHE   8          HB1       PHE   8  -3.387   0.536  -2.288
   54    HD1  PHE   8           HD1      PHE   8  -4.562  -2.861  -1.784
   55    HD2  PHE   8           HD2      PHE   8  -1.706  -0.442  -3.892
   56    HE1  PHE   8           HE1      PHE   8  -4.177  -4.713  -3.387
   57    HE2  PHE   8           HE2      PHE   8  -1.320  -2.294  -5.495
   58    HZ   PHE   8           HZ       PHE   8  -2.556  -4.430  -5.243
   59    H    ARG   9           HN       ARG   9  -2.135   2.129  -0.403
   60    HA   ARG   9           HA       ARG   9   0.005   2.696  -2.257
   61   1HB   ARG   9          HB2       ARG   9  -1.920   4.136  -1.140
   62   2HB   ARG   9          HB1       ARG   9  -0.690   4.440   0.086
   63   1HG   ARG   9          HG2       ARG   9   0.867   5.037  -1.878
   64   2HG   ARG   9          HG1       ARG   9  -0.600   5.108  -2.855
   65   1HD   ARG   9          HD2       ARG   9  -1.477   6.649  -0.888
   66   2HD   ARG   9          HD1       ARG   9   0.258   6.899  -0.603
   67    HE   ARG   9           HE       ARG   9  -0.478   7.110  -3.421
   68   1HH1  ARG   9          HH21      ARG   9  -1.947   9.020  -1.330
   69   2HH1  ARG   9          HH22      ARG   9  -1.024  10.460  -1.602
   70   1HH2  ARG   9          HH11      ARG   9   1.475   8.841  -3.379
   71   2HH2  ARG   9          HH12      ARG   9   0.913  10.359  -2.763
   72    H    LEU  10           HN       LEU  10  -0.123   2.372   1.300
   73    HA   LEU  10           HA       LEU  10   2.690   2.915   1.712
   74   1HB   LEU  10          HB2       LEU  10   0.673   3.034   3.321
   75   2HB   LEU  10          HB1       LEU  10   0.855   1.288   3.481
   76    HG   LEU  10           HG       LEU  10   3.403   1.955   3.892
   77   1HD1  LEU  10          HD11      LEU  10   2.489   4.443   3.555
   78   2HD1  LEU  10          HD12      LEU  10   3.780   4.085   4.702
   79   3HD1  LEU  10          HD13      LEU  10   2.122   4.276   5.271
   80   1HD2  LEU  10          HD21      LEU  10   3.005   1.589   6.180
   81   2HD2  LEU  10          HD22      LEU  10   1.592   0.856   5.424
   82   3HD2  LEU  10          HD23      LEU  10   1.471   2.459   6.149
   83    H    PHE  11           HN       PHE  11   0.770  -0.047   1.260
   84    HA   PHE  11           HA       PHE  11   2.881  -1.915   1.844
   85   1HB   PHE  11          HB2       PHE  11   0.164  -1.932   1.247
   86   2HB   PHE  11          HB1       PHE  11   0.891  -2.736  -0.145
   87    HD1  PHE  11           HD1      PHE  11   1.592  -4.977   0.004
   88    HD2  PHE  11           HD2      PHE  11   0.893  -2.728   3.596
   89    HE1  PHE  11           HE1      PHE  11   1.905  -7.035   1.353
   90    HE2  PHE  11           HE2      PHE  11   1.206  -4.785   4.945
   91    HZ   PHE  11           HZ       PHE  11   1.711  -6.939   3.824
   92    H    ASN  12           HN       ASN  12   1.696  -0.494  -1.215
   93    HA   ASN  12           HA       ASN  12   3.550  -1.905  -2.918
   94   1HB   ASN  12          HB2       ASN  12   1.430  -0.887  -3.658
   95   2HB   ASN  12          HB1       ASN  12   2.046   0.713  -3.247
   96   1HD2  ASN  12          HD21      ASN  12   3.184   1.801  -4.874
   97   2HD2  ASN  12          HD22      ASN  12   3.760   1.075  -6.296
   98    H    ARG  13           HN       ARG  13   3.542   1.446  -1.641
   99    HA   ARG  13           HA       ARG  13   6.023   2.277  -2.746
  100   1HB   ARG  13          HB2       ARG  13   4.033   3.391  -1.304
  101   2HB   ARG  13          HB1       ARG  13   5.227   3.189  -0.022
  102   1HG   ARG  13          HG2       ARG  13   6.765   4.184  -2.071
  103   2HG   ARG  13          HG1       ARG  13   5.237   5.030  -2.319
  104   1HD   ARG  13          HD2       ARG  13   5.469   6.257  -0.402
  105   2HD   ARG  13          HD1       ARG  13   6.141   4.886   0.503
  106    HE   ARG  13           HE       ARG  13   8.005   5.672  -1.522
  107   1HH1  ARG  13          HH21      ARG  13   7.048   8.302  -0.253
  108   2HH1  ARG  13          HH22      ARG  13   8.244   8.518   0.980
  109   1HH2  ARG  13          HH11      ARG  13   9.386   5.248   0.814
  110   2HH2  ARG  13          HH12      ARG  13   9.569   6.788   1.584
  111    H    SER  14           HN       SER  14   5.325   0.801   0.443
  112    HA   SER  14           HA       SER  14   8.036   0.773   1.377
  113   1HB   SER  14          HB2       SER  14   5.981   0.513   2.753
  114   2HB   SER  14          HB1       SER  14   5.688  -1.051   1.998
  115    HG   SER  14           HG       SER  14   7.561  -0.288   3.900
  116    H    PHE  15           HN       PHE  15   6.087  -1.660  -0.365
  117    HA   PHE  15           HA       PHE  15   7.992  -3.781  -0.333
  118   1HB   PHE  15          HB2       PHE  15   5.725  -4.189  -0.964
  119   2HB   PHE  15          HB1       PHE  15   5.768  -2.932  -2.200
  120    HD1  PHE  15           HD1      PHE  15   6.463  -3.417  -4.410
  121    HD2  PHE  15           HD2      PHE  15   7.214  -6.241  -1.263
  122    HE1  PHE  15           HE1      PHE  15   7.203  -5.088  -6.086
  123    HE2  PHE  15           HE2      PHE  15   7.955  -7.912  -2.939
  124    HZ   PHE  15           HZ       PHE  15   7.950  -7.335  -5.351
  125    H    THR  16           HN       THR  16   7.522  -1.092  -2.632
  126    HA   THR  16           HA       THR  16   9.592  -1.957  -4.468
  127    HB   THR  16           HB       THR  16   8.381   0.784  -3.977
  128    HG1  THR  16           HG1      THR  16   6.759   0.139  -5.275
  129   1HG2  THR  16          HG21      THR  16   9.062  -0.076  -6.705
  130   2HG2  THR  16          HG22      THR  16  10.459   0.077  -5.637
  131   3HG2  THR  16          HG23      THR  16   9.389   1.455  -5.893
  132    H    GLN  17           HN       GLN  17   9.562  -0.099  -1.499
  133    HA   GLN  17           HA       GLN  17  12.366   0.812  -1.955
  134   1HB   GLN  17          HB2       GLN  17  10.729   2.473  -1.247
  135   2HB   GLN  17          HB1       GLN  17  10.240   1.460   0.112
  136   1HG   GLN  17          HG2       GLN  17  12.329   1.753   1.217
  137   2HG   GLN  17          HG1       GLN  17  13.085   2.420  -0.231
  138   1HE2  GLN  17          HE21      GLN  17  12.326   4.615  -0.936
  139   2HE2  GLN  17          HE22      GLN  17  11.671   5.679   0.212
  140    H    ALA  18           HN       ALA  18  10.623  -1.696  -0.440
  141    HA   ALA  18           HA       ALA  18  11.235  -3.318   1.172
  142   1HB   ALA  18          HB1       ALA  18  13.135  -4.286   0.386
  143   2HB   ALA  18          HB2       ALA  18  14.103  -2.858   0.750
  144   3HB   ALA  18          HB3       ALA  18  13.192  -2.945  -0.758
  145   1HN   NH2  19          1HN       NH2  19  13.188  -3.549   3.055
  146   2HN   NH2  19          2HN       NH2  19  13.294  -2.170   4.040
  Start of MODEL   13
    1   1H    SER   1          1H        SER   1 -14.318  -2.845  -3.082
    2   2H    SER   1          2H        SER   1 -15.511  -3.989  -3.479
    3   3H    SER   1          3H        SER   1 -14.670  -4.109  -2.007
    4    HA   SER   1           HA       SER   1 -16.636  -2.013  -2.777
    5   1HB   SER   1          HB2       SER   1 -16.511  -4.435  -1.004
    6   2HB   SER   1          HB1       SER   1 -17.570  -3.101  -0.556
    7    HG   SER   1           HG       SER   1 -17.608  -3.989  -3.204
    8    H    GLY   2           HN       GLY   2 -14.815  -3.249   0.061
    9   1HA   GLY   2          HA2       GLY   2 -14.945  -0.874   1.585
   10   2HA   GLY   2          HA1       GLY   2 -13.672  -2.084   1.750
   11    H    THR   3           HN       THR   3 -12.379  -0.023   2.158
   12    HA   THR   3           HA       THR   3 -11.716   1.492  -0.314
   13    HB   THR   3           HB       THR   3 -10.173   2.466   1.751
   14    HG1  THR   3           HG1      THR   3 -11.947   2.486   3.435
   15   1HG2  THR   3          HG21      THR   3 -13.015   3.100   0.934
   16   2HG2  THR   3          HG22      THR   3 -11.535   3.885   0.383
   17   3HG2  THR   3          HG23      THR   3 -12.089   4.111   2.042
   18    H    LEU   4           HN       LEU   4  -9.424   0.770   2.255
   19    HA   LEU   4           HA       LEU   4  -7.402  -0.473   2.242
   20   1HB   LEU   4          HB2       LEU   4  -9.226  -1.840   0.594
   21   2HB   LEU   4          HB1       LEU   4  -7.743  -1.731  -0.356
   22    HG   LEU   4           HG       LEU   4  -7.601  -3.743   0.964
   23   1HD1  LEU   4          HD11      LEU   4  -5.956  -1.976   2.698
   24   2HD1  LEU   4          HD12      LEU   4  -5.688  -1.829   0.961
   25   3HD1  LEU   4          HD13      LEU   4  -5.480  -3.388   1.756
   26   1HD2  LEU   4          HD21      LEU   4  -9.082  -2.193   2.838
   27   2HD2  LEU   4          HD22      LEU   4  -7.583  -2.674   3.631
   28   3HD2  LEU   4          HD23      LEU   4  -8.653  -3.900   2.950
   29    H    SER   5           HN       SER   5  -8.297   1.889   0.049
   30    HA   SER   5           HA       SER   5  -6.302   1.892  -1.952
   31   1HB   SER   5          HB2       SER   5  -7.715   4.086  -0.414
   32   2HB   SER   5          HB1       SER   5  -6.698   4.410  -1.815
   33    HG   SER   5           HG       SER   5  -8.166   2.568  -2.698
   34    H    THR   6           HN       THR   6  -6.176   3.921   1.003
   35    HA   THR   6           HA       THR   6  -3.488   4.668   0.894
   36    HB   THR   6           HB       THR   6  -3.934   4.336   3.570
   37    HG1  THR   6           HG1      THR   6  -6.016   4.142   3.963
   38   1HG2  THR   6          HG21      THR   6  -5.331   6.452   1.923
   39   2HG2  THR   6          HG22      THR   6  -3.587   6.444   2.188
   40   3HG2  THR   6          HG23      THR   6  -4.687   6.607   3.557
   41    H    PHE   7           HN       PHE   7  -4.712   1.934   2.881
   42    HA   PHE   7           HA       PHE   7  -2.352   0.763   3.700
   43   1HB   PHE   7          HB2       PHE   7  -5.049   0.076   3.472
   44   2HB   PHE   7          HB1       PHE   7  -4.209  -1.205   2.595
   45    HD1  PHE   7           HD1      PHE   7  -2.260  -2.393   3.745
   46    HD2  PHE   7           HD2      PHE   7  -5.022   0.144   5.839
   47    HE1  PHE   7           HE1      PHE   7  -1.571  -3.419   5.894
   48    HE2  PHE   7           HE2      PHE   7  -4.334  -0.882   7.989
   49    HZ   PHE   7           HZ       PHE   7  -2.608  -2.663   8.017
   50    H    PHE   8           HN       PHE   8  -3.844   0.436   0.478
   51    HA   PHE   8           HA       PHE   8  -1.856  -1.388  -0.567
   52   1HB   PHE   8          HB2       PHE   8  -4.282  -0.077  -1.350
   53   2HB   PHE   8          HB1       PHE   8  -3.076   0.198  -2.608
   54    HD1  PHE   8           HD1      PHE   8  -5.033  -2.336  -0.790
   55    HD2  PHE   8           HD2      PHE   8  -2.087  -1.667  -3.844
   56    HE1  PHE   8           HE1      PHE   8  -5.335  -4.663  -1.591
   57    HE2  PHE   8           HE2      PHE   8  -2.389  -3.994  -4.645
   58    HZ   PHE   8           HZ       PHE   8  -4.012  -5.492  -3.518
   59    H    ARG   9           HN       ARG   9  -2.160   2.137  -0.421
   60    HA   ARG   9           HA       ARG   9  -0.042   2.759  -2.275
   61   1HB   ARG   9          HB2       ARG   9  -1.954   4.189  -1.233
   62   2HB   ARG   9          HB1       ARG   9  -0.846   4.411   0.121
   63   1HG   ARG   9          HG2       ARG   9   0.138   4.887  -2.675
   64   2HG   ARG   9          HG1       ARG   9  -0.827   6.129  -1.875
   65   1HD   ARG   9          HD2       ARG   9   1.094   5.229   0.028
   66   2HD   ARG   9          HD1       ARG   9   1.958   5.544  -1.490
   67    HE   ARG   9           HE       ARG   9   0.392   7.536   0.047
   68   1HH1  ARG   9          HH11      ARG   9   1.438   6.687  -3.088
   69   2HH1  ARG   9          HH12      ARG   9   1.985   8.278  -3.499
   70   1HH2  ARG   9          HH21      ARG   9   1.394   9.584  -0.342
   71   2HH2  ARG   9          HH22      ARG   9   1.959   9.918  -1.944
   72    H    LEU  10           HN       LEU  10  -0.126   2.475   1.291
   73    HA   LEU  10           HA       LEU  10   2.692   3.011   1.658
   74   1HB   LEU  10          HB2       LEU  10   0.766   3.210   3.316
   75   2HB   LEU  10          HB1       LEU  10   0.801   1.451   3.442
   76    HG   LEU  10           HG       LEU  10   3.482   2.321   3.709
   77   1HD1  LEU  10          HD11      LEU  10   3.501   4.164   5.045
   78   2HD1  LEU  10          HD12      LEU  10   2.055   3.658   5.919
   79   3HD1  LEU  10          HD13      LEU  10   1.904   4.469   4.359
   80   1HD2  LEU  10          HD21      LEU  10   1.490   1.435   5.822
   81   2HD2  LEU  10          HD22      LEU  10   3.247   1.337   5.946
   82   3HD2  LEU  10          HD23      LEU  10   2.389   0.348   4.764
   83    H    PHE  11           HN       PHE  11   0.760   0.031   1.343
   84    HA   PHE  11           HA       PHE  11   2.864  -1.830   1.912
   85   1HB   PHE  11          HB2       PHE  11   0.209  -1.961   1.543
   86   2HB   PHE  11          HB1       PHE  11   0.718  -2.448  -0.074
   87    HD1  PHE  11           HD1      PHE  11  -0.675  -4.148   2.162
   88    HD2  PHE  11           HD2      PHE  11   3.404  -3.686   0.900
   89    HE1  PHE  11           HE1      PHE  11  -0.157  -6.421   3.008
   90    HE2  PHE  11           HE2      PHE  11   3.923  -5.959   1.745
   91    HZ   PHE  11           HZ       PHE  11   2.143  -7.326   2.799
   92    H    ASN  12           HN       ASN  12   1.707  -0.415  -1.160
   93    HA   ASN  12           HA       ASN  12   3.549  -1.867  -2.845
   94   1HB   ASN  12          HB2       ASN  12   1.434  -0.831  -3.592
   95   2HB   ASN  12          HB1       ASN  12   2.081   0.766  -3.214
   96   1HD2  ASN  12          HD21      ASN  12   1.877   1.354  -5.533
   97   2HD2  ASN  12          HD22      ASN  12   3.006   0.778  -6.662
   98    H    ARG  13           HN       ARG  13   3.576   1.479  -1.559
   99    HA   ARG  13           HA       ARG  13   6.049   2.305  -2.682
  100   1HB   ARG  13          HB2       ARG  13   4.390   3.774  -1.610
  101   2HB   ARG  13          HB1       ARG  13   4.708   3.014  -0.051
  102   1HG   ARG  13          HG2       ARG  13   5.979   5.062  -0.121
  103   2HG   ARG  13          HG1       ARG  13   7.119   3.728  -0.292
  104   1HD   ARG  13          HD2       ARG  13   7.819   4.596  -2.262
  105   2HD   ARG  13          HD1       ARG  13   6.175   4.439  -2.910
  106    HE   ARG  13           HE       ARG  13   5.675   6.675  -1.989
  107   1HH1  ARG  13          HH21      ARG  13   8.685   6.137  -3.268
  108   2HH1  ARG  13          HH22      ARG  13   9.460   7.496  -2.525
  109   1HH2  ARG  13          HH11      ARG  13   6.783   8.223  -0.445
  110   2HH2  ARG  13          HH12      ARG  13   8.383   8.677  -0.926
  111    H    SER  14           HN       SER  14   5.361   0.659   0.414
  112    HA   SER  14           HA       SER  14   8.093   0.651   1.346
  113   1HB   SER  14          HB2       SER  14   5.459  -0.445   2.056
  114   2HB   SER  14          HB1       SER  14   6.795  -1.491   2.527
  115    HG   SER  14           HG       SER  14   6.831   1.291   3.023
  116    H    PHE  15           HN       PHE  15   6.092  -1.783  -0.351
  117    HA   PHE  15           HA       PHE  15   7.980  -3.901  -0.407
  118   1HB   PHE  15          HB2       PHE  15   5.476  -3.715  -1.105
  119   2HB   PHE  15          HB1       PHE  15   6.110  -3.226  -2.676
  120    HD1  PHE  15           HD1      PHE  15   4.900  -5.966  -1.004
  121    HD2  PHE  15           HD2      PHE  15   8.331  -4.788  -3.305
  122    HE1  PHE  15           HE1      PHE  15   5.336  -8.340  -1.571
  123    HE2  PHE  15           HE2      PHE  15   8.766  -7.162  -3.871
  124    HZ   PHE  15           HZ       PHE  15   7.268  -8.939  -3.004
  125    H    THR  16           HN       THR  16   7.483  -1.215  -2.716
  126    HA   THR  16           HA       THR  16   9.721  -2.073  -4.407
  127    HB   THR  16           HB       THR  16   8.216   0.558  -4.365
  128    HG1  THR  16           HG1      THR  16   6.550  -0.463  -5.108
  129   1HG2  THR  16          HG21      THR  16   9.279  -0.948  -6.749
  130   2HG2  THR  16          HG22      THR  16  10.315   0.136  -5.821
  131   3HG2  THR  16          HG23      THR  16   8.874   0.764  -6.619
  132    H    GLN  17           HN       GLN  17   9.298  -0.082  -1.603
  133    HA   GLN  17           HA       GLN  17  11.750   1.498  -2.060
  134   1HB   GLN  17          HB2       GLN  17   9.924   2.607  -0.994
  135   2HB   GLN  17          HB1       GLN  17   9.660   1.260   0.115
  136   1HG   GLN  17          HG2       GLN  17  11.948   1.703   1.076
  137   2HG   GLN  17          HG1       GLN  17  12.018   3.161   0.086
  138   1HE2  GLN  17          HE21      GLN  17  10.978   5.019   0.897
  139   2HE2  GLN  17          HE22      GLN  17   9.989   5.031   2.277
  140    H    ALA  18           HN       ALA  18  10.808  -1.469  -0.509
  141    HA   ALA  18           HA       ALA  18  12.095  -3.069   0.663
  142   1HB   ALA  18          HB1       ALA  18  14.439  -1.353  -0.192
  143   2HB   ALA  18          HB2       ALA  18  13.585  -2.408  -1.318
  144   3HB   ALA  18          HB3       ALA  18  14.418  -3.096   0.075
  145   1HN   NH2  19          1HN       NH2  19  11.989  -2.961   2.925
  146   2HN   NH2  19          2HN       NH2  19  12.687  -1.745   3.882
  Start of MODEL   14
    1   1H    SER   1          1H        SER   1 -16.869  -3.032   1.958
    2   2H    SER   1          2H        SER   1 -16.247  -3.891   3.286
    3   3H    SER   1          3H        SER   1 -16.333  -4.628   1.757
    4    HA   SER   1           HA       SER   1 -14.063  -3.723   2.568
    5   1HB   SER   1          HB2       SER   1 -14.763  -2.757  -0.147
    6   2HB   SER   1          HB1       SER   1 -13.539  -3.924   0.347
    7    HG   SER   1           HG       SER   1 -14.934  -5.475   0.067
    8    H    GLY   2           HN       GLY   2 -13.856  -1.891   3.900
    9   1HA   GLY   2          HA2       GLY   2 -15.100   0.616   3.560
   10   2HA   GLY   2          HA1       GLY   2 -13.549   0.390   4.369
   11    H    THR   3           HN       THR   3 -11.655   0.027   2.767
   12    HA   THR   3           HA       THR   3 -11.959   1.236   0.111
   13    HB   THR   3           HB       THR   3 -10.076   2.753   1.817
   14    HG1  THR   3           HG1      THR   3 -11.479   3.310   3.251
   15   1HG2  THR   3          HG21      THR   3 -11.664   4.567   0.621
   16   2HG2  THR   3          HG22      THR   3 -11.971   3.187  -0.434
   17   3HG2  THR   3          HG23      THR   3 -10.325   3.782  -0.218
   18    H    LEU   4           HN       LEU   4  -9.388   0.939   2.597
   19    HA   LEU   4           HA       LEU   4  -7.397  -0.353   2.568
   20   1HB   LEU   4          HB2       LEU   4  -9.285  -1.790   1.156
   21   2HB   LEU   4          HB1       LEU   4  -7.977  -1.638  -0.017
   22    HG   LEU   4           HG       LEU   4  -7.102  -2.302   2.724
   23   1HD1  LEU   4          HD11      LEU   4  -9.122  -3.652   2.683
   24   2HD1  LEU   4          HD12      LEU   4  -7.737  -4.712   2.423
   25   3HD1  LEU   4          HD13      LEU   4  -8.747  -4.231   1.060
   26   1HD2  LEU   4          HD21      LEU   4  -5.921  -2.265   0.309
   27   2HD2  LEU   4          HD22      LEU   4  -6.481  -3.937   0.306
   28   3HD2  LEU   4          HD23      LEU   4  -5.406  -3.369   1.584
   29    H    SER   5           HN       SER   5  -8.307   1.951   0.315
   30    HA   SER   5           HA       SER   5  -6.370   1.838  -1.739
   31   1HB   SER   5          HB2       SER   5  -7.664   3.639  -2.183
   32   2HB   SER   5          HB1       SER   5  -8.206   3.720  -0.509
   33    HG   SER   5           HG       SER   5  -6.113   5.034  -1.801
   34    H    THR   6           HN       THR   6  -6.103   3.993   1.114
   35    HA   THR   6           HA       THR   6  -3.415   4.666   0.930
   36    HB   THR   6           HB       THR   6  -3.725   4.399   3.608
   37    HG1  THR   6           HG1      THR   6  -5.989   4.624   3.988
   38   1HG2  THR   6          HG21      THR   6  -4.723   6.630   3.577
   39   2HG2  THR   6          HG22      THR   6  -5.218   6.407   1.900
   40   3HG2  THR   6          HG23      THR   6  -3.505   6.506   2.308
   41    H    PHE   7           HN       PHE   7  -4.643   1.922   2.900
   42    HA   PHE   7           HA       PHE   7  -2.275   0.708   3.659
   43   1HB   PHE   7          HB2       PHE   7  -4.968  -0.284   2.774
   44   2HB   PHE   7          HB1       PHE   7  -3.710  -1.462   3.151
   45    HD1  PHE   7           HD1      PHE   7  -5.729   1.336   4.510
   46    HD2  PHE   7           HD2      PHE   7  -2.967  -1.830   5.407
   47    HE1  PHE   7           HE1      PHE   7  -6.163   1.644   6.932
   48    HE2  PHE   7           HE2      PHE   7  -3.401  -1.521   7.829
   49    HZ   PHE   7           HZ       PHE   7  -4.998   0.216   8.592
   50    H    PHE   8           HN       PHE   8  -3.858   0.471   0.472
   51    HA   PHE   8           HA       PHE   8  -1.939  -1.370  -0.665
   52   1HB   PHE   8          HB2       PHE   8  -4.396  -0.363  -1.313
   53   2HB   PHE   8          HB1       PHE   8  -3.365   0.551  -2.412
   54    HD1  PHE   8           HD1      PHE   8  -5.447  -1.756  -2.995
   55    HD2  PHE   8           HD2      PHE   8  -1.172  -1.611  -2.621
   56    HE1  PHE   8           HE1      PHE   8  -5.251  -3.743  -4.466
   57    HE2  PHE   8           HE2      PHE   8  -0.975  -3.597  -4.093
   58    HZ   PHE   8           HZ       PHE   8  -3.015  -4.663  -5.015
   59    H    ARG   9           HN       ARG   9  -2.164   2.163  -0.455
   60    HA   ARG   9           HA       ARG   9  -0.052   2.763  -2.324
   61   1HB   ARG   9          HB2       ARG   9  -1.916   4.230  -1.278
   62   2HB   ARG   9          HB1       ARG   9  -0.828   4.389   0.103
   63   1HG   ARG   9          HG2       ARG   9   0.859   5.434  -1.217
   64   2HG   ARG   9          HG1       ARG   9   0.064   4.980  -2.725
   65   1HD   ARG   9          HD2       ARG   9  -0.383   7.346  -2.283
   66   2HD   ARG   9          HD1       ARG   9  -1.888   6.438  -2.043
   67    HE   ARG   9           HE       ARG   9  -1.771   7.150   0.199
   68   1HH1  ARG   9          HH21      ARG   9   0.628   8.927  -0.488
   69   2HH1  ARG   9          HH22      ARG   9   1.785   8.379   0.678
   70   1HH2  ARG   9          HH11      ARG   9   0.040   5.480   1.438
   71   2HH2  ARG   9          HH12      ARG   9   1.452   6.427   1.769
   72    H    LEU  10           HN       LEU  10  -0.093   2.567   1.255
   73    HA   LEU  10           HA       LEU  10   2.729   2.993   1.597
   74   1HB   LEU  10          HB2       LEU  10   0.535   2.912   3.181
   75   2HB   LEU  10          HB1       LEU  10   1.197   1.314   3.520
   76    HG   LEU  10           HG       LEU  10   3.397   2.365   4.029
   77   1HD1  LEU  10          HD11      LEU  10   3.645   4.411   3.052
   78   2HD1  LEU  10          HD12      LEU  10   2.874   4.999   4.525
   79   3HD1  LEU  10          HD13      LEU  10   1.912   4.736   3.071
   80   1HD2  LEU  10          HD21      LEU  10   1.909   1.910   5.888
   81   2HD2  LEU  10          HD22      LEU  10   0.984   3.375   5.564
   82   3HD2  LEU  10          HD23      LEU  10   2.640   3.492   6.157
   83    H    PHE  11           HN       PHE  11   0.748   0.063   1.197
   84    HA   PHE  11           HA       PHE  11   2.803  -1.859   1.742
   85   1HB   PHE  11          HB2       PHE  11   0.106  -1.707   0.574
   86   2HB   PHE  11          HB1       PHE  11   1.085  -3.016  -0.088
   87    HD1  PHE  11           HD1      PHE  11   2.742  -3.915   2.078
   88    HD2  PHE  11           HD2      PHE  11  -1.335  -2.568   2.200
   89    HE1  PHE  11           HE1      PHE  11   2.366  -5.243   4.138
   90    HE2  PHE  11           HE2      PHE  11  -1.711  -3.896   4.261
   91    HZ   PHE  11           HZ       PHE  11   0.138  -5.233   5.230
   92    H    ASN  12           HN       ASN  12   1.684  -0.389  -1.322
   93    HA   ASN  12           HA       ASN  12   3.511  -1.805  -3.031
   94   1HB   ASN  12          HB2       ASN  12   1.510  -0.708  -3.857
   95   2HB   ASN  12          HB1       ASN  12   2.060   0.852  -3.242
   96   1HD2  ASN  12          HD21      ASN  12   3.749  -1.708  -5.152
   97   2HD2  ASN  12          HD22      ASN  12   4.234  -0.661  -6.396
   98    H    ARG  13           HN       ARG  13   3.647   1.532  -1.715
   99    HA   ARG  13           HA       ARG  13   6.206   2.225  -2.728
  100   1HB   ARG  13          HB2       ARG  13   4.710   3.864  -1.799
  101   2HB   ARG  13          HB1       ARG  13   4.645   3.015  -0.253
  102   1HG   ARG  13          HG2       ARG  13   7.382   3.492  -0.761
  103   2HG   ARG  13          HG1       ARG  13   6.546   4.997  -1.148
  104   1HD   ARG  13          HD2       ARG  13   5.278   4.492   1.139
  105   2HD   ARG  13          HD1       ARG  13   6.761   3.577   1.481
  106    HE   ARG  13           HE       ARG  13   7.887   5.819   0.603
  107   1HH1  ARG  13          HH11      ARG  13   4.937   6.884   0.964
  108   2HH1  ARG  13          HH12      ARG  13   5.142   7.771   2.438
  109   1HH2  ARG  13          HH21      ARG  13   8.214   6.345   3.181
  110   2HH2  ARG  13          HH22      ARG  13   6.997   7.466   3.692
  111    H    SER  14           HN       SER  14   5.372   0.957   0.526
  112    HA   SER  14           HA       SER  14   8.010   0.710   1.528
  113   1HB   SER  14          HB2       SER  14   5.649   0.419   2.597
  114   2HB   SER  14          HB1       SER  14   5.794  -1.260   2.085
  115    HG   SER  14           HG       SER  14   6.832  -1.416   3.921
  116    H    PHE  15           HN       PHE  15   6.052  -1.616  -0.348
  117    HA   PHE  15           HA       PHE  15   7.862  -3.811  -0.283
  118   1HB   PHE  15          HB2       PHE  15   5.524  -3.902  -1.040
  119   2HB   PHE  15          HB1       PHE  15   5.914  -2.866  -2.412
  120    HD1  PHE  15           HD1      PHE  15   5.887  -6.244  -1.134
  121    HD2  PHE  15           HD2      PHE  15   7.615  -3.686  -4.121
  122    HE1  PHE  15           HE1      PHE  15   6.566  -8.235  -2.448
  123    HE2  PHE  15           HE2      PHE  15   8.293  -5.677  -5.434
  124    HZ   PHE  15           HZ       PHE  15   7.769  -7.951  -4.597
  125    H    THR  16           HN       THR  16   7.544  -1.171  -2.686
  126    HA   THR  16           HA       THR  16   9.787  -2.057  -4.292
  127    HB   THR  16           HB       THR  16   8.676   0.746  -4.115
  128    HG1  THR  16           HG1      THR  16   7.453  -1.631  -4.928
  129   1HG2  THR  16          HG21      THR  16  10.110   0.877  -5.867
  130   2HG2  THR  16          HG22      THR  16   8.861   0.001  -6.751
  131   3HG2  THR  16          HG23      THR  16  10.212  -0.876  -6.030
  132    H    GLN  17           HN       GLN  17   9.478  -0.161  -1.386
  133    HA   GLN  17           HA       GLN  17  11.859   1.415  -1.547
  134   1HB   GLN  17          HB2       GLN  17  10.168   1.872   0.092
  135   2HB   GLN  17          HB1       GLN  17  10.240   0.224   0.719
  136   1HG   GLN  17          HG2       GLN  17  11.462   1.581   2.269
  137   2HG   GLN  17          HG1       GLN  17  12.667   0.694   1.332
  138   1HE2  GLN  17          HE21      GLN  17  13.753   2.895   2.390
  139   2HE2  GLN  17          HE22      GLN  17  13.862   4.174   1.279
  140    H    ALA  18           HN       ALA  18  11.433  -1.478   0.523
  141    HA   ALA  18           HA       ALA  18  14.168  -1.975   0.998
  142   1HB   ALA  18          HB1       ALA  18  13.120  -4.438   1.138
  143   2HB   ALA  18          HB2       ALA  18  11.614  -3.531   0.996
  144   3HB   ALA  18          HB3       ALA  18  12.721  -3.199   2.328
  145   1HN   NH2  19          1HN       NH2  19  15.328  -4.080   0.080
  146   2HN   NH2  19          2HN       NH2  19  15.275  -4.283  -1.604
  Start of MODEL   15
    1   1H    SER   1          1H        SER   1 -18.097  -0.110   3.317
    2   2H    SER   1          2H        SER   1 -16.962   0.521   2.221
    3   3H    SER   1          3H        SER   1 -17.643   1.522   3.412
    4    HA   SER   1           HA       SER   1 -15.689   1.083   4.470
    5   1HB   SER   1          HB2       SER   1 -17.465   0.246   5.872
    6   2HB   SER   1          HB1       SER   1 -17.562  -1.251   4.951
    7    HG   SER   1           HG       SER   1 -16.113  -1.987   6.269
    8    H    GLY   2           HN       GLY   2 -13.673   0.025   4.394
    9   1HA   GLY   2          HA2       GLY   2 -12.144  -1.722   3.804
   10   2HA   GLY   2          HA1       GLY   2 -13.437  -2.516   2.904
   11    H    THR   3           HN       THR   3 -11.479   0.479   2.807
   12    HA   THR   3           HA       THR   3 -11.879   0.694  -0.111
   13    HB   THR   3           HB       THR   3 -10.027   2.338   1.610
   14    HG1  THR   3           HG1      THR   3 -11.687   3.305   2.531
   15   1HG2  THR   3          HG21      THR   3 -11.933   3.247  -0.543
   16   2HG2  THR   3          HG22      THR   3 -10.342   2.596  -0.943
   17   3HG2  THR   3          HG23      THR   3 -10.477   4.050   0.047
   18    H    LEU   4           HN       LEU   4  -9.126   0.260   2.140
   19    HA   LEU   4           HA       LEU   4  -7.095  -0.926   1.812
   20   1HB   LEU   4          HB2       LEU   4  -9.000  -2.079   0.110
   21   2HB   LEU   4          HB1       LEU   4  -7.612  -1.765  -0.931
   22    HG   LEU   4           HG       LEU   4  -6.443  -2.758   1.375
   23   1HD1  LEU   4          HD11      LEU   4  -8.865  -3.357   2.030
   24   2HD1  LEU   4          HD12      LEU   4  -7.671  -4.652   2.105
   25   3HD1  LEU   4          HD13      LEU   4  -8.784  -4.558   0.741
   26   1HD2  LEU   4          HD21      LEU   4  -6.769  -3.458  -1.381
   27   2HD2  LEU   4          HD22      LEU   4  -6.955  -4.924  -0.420
   28   3HD2  LEU   4          HD23      LEU   4  -5.488  -3.956  -0.276
   29    H    SER   5           HN       SER   5  -8.164   1.718   0.054
   30    HA   SER   5           HA       SER   5  -6.242   2.049  -2.012
   31   1HB   SER   5          HB2       SER   5  -7.901   3.833  -0.253
   32   2HB   SER   5          HB1       SER   5  -6.732   4.556  -1.353
   33    HG   SER   5           HG       SER   5  -7.793   3.664  -3.059
   34    H    THR   6           HN       THR   6  -6.138   3.822   1.096
   35    HA   THR   6           HA       THR   6  -3.456   4.622   0.997
   36    HB   THR   6           HB       THR   6  -3.826   4.291   3.635
   37    HG1  THR   6           HG1      THR   6  -6.253   4.524   3.765
   38   1HG2  THR   6          HG21      THR   6  -4.123   6.342   1.839
   39   2HG2  THR   6          HG22      THR   6  -4.337   6.502   3.583
   40   3HG2  THR   6          HG23      THR   6  -5.738   6.246   2.542
   41    H    PHE   7           HN       PHE   7  -4.635   1.820   2.912
   42    HA   PHE   7           HA       PHE   7  -2.261   0.642   3.669
   43   1HB   PHE   7          HB2       PHE   7  -4.938  -0.354   2.782
   44   2HB   PHE   7          HB1       PHE   7  -3.667  -1.550   3.041
   45    HD1  PHE   7           HD1      PHE   7  -4.500   1.673   4.774
   46    HD2  PHE   7           HD2      PHE   7  -3.991  -2.578   5.114
   47    HE1  PHE   7           HE1      PHE   7  -4.852   1.827   7.224
   48    HE2  PHE   7           HE2      PHE   7  -4.344  -2.425   7.563
   49    HZ   PHE   7           HZ       PHE   7  -4.775  -0.223   8.618
   50    H    PHE   8           HN       PHE   8  -3.787   0.378   0.453
   51    HA   PHE   8           HA       PHE   8  -1.792  -1.391  -0.662
   52   1HB   PHE   8          HB2       PHE   8  -4.089  -1.087  -1.529
   53   2HB   PHE   8          HB1       PHE   8  -3.712   0.588  -1.936
   54    HD1  PHE   8           HD1      PHE   8  -3.438   0.875  -4.230
   55    HD2  PHE   8           HD2      PHE   8  -1.911  -2.681  -2.366
   56    HE1  PHE   8           HE1      PHE   8  -2.501   0.137  -6.405
   57    HE2  PHE   8           HE2      PHE   8  -0.974  -3.418  -4.541
   58    HZ   PHE   8           HZ       PHE   8  -1.270  -2.009  -6.559
   59    H    ARG   9           HN       ARG   9  -2.115   2.127  -0.408
   60    HA   ARG   9           HA       ARG   9   0.004   2.800  -2.250
   61   1HB   ARG   9          HB2       ARG   9  -1.882   4.249  -1.346
   62   2HB   ARG   9          HB1       ARG   9  -0.981   4.340   0.169
   63   1HG   ARG   9          HG2       ARG   9   0.085   6.114  -0.740
   64   2HG   ARG   9          HG1       ARG   9   0.936   4.940  -1.746
   65   1HD   ARG   9          HD2       ARG   9  -1.285   5.144  -3.226
   66   2HD   ARG   9          HD1       ARG   9  -1.339   6.744  -2.462
   67    HE   ARG   9           HE       ARG   9   1.274   5.906  -3.565
   68   1HH1  ARG   9          HH21      ARG   9  -1.678   6.982  -4.759
   69   2HH1  ARG   9          HH22      ARG   9  -1.044   8.387  -5.551
   70   1HH2  ARG   9          HH11      ARG   9   2.130   8.040  -4.198
   71   2HH2  ARG   9          HH12      ARG   9   1.113   8.985  -5.233
   72    H    LEU  10           HN       LEU  10  -0.093   2.653   1.331
   73    HA   LEU  10           HA       LEU  10   2.722   3.122   1.697
   74   1HB   LEU  10          HB2       LEU  10   0.402   2.876   3.226
   75   2HB   LEU  10          HB1       LEU  10   1.387   1.507   3.739
   76    HG   LEU  10           HG       LEU  10   1.908   3.468   5.113
   77   1HD1  LEU  10          HD11      LEU  10   3.731   1.866   3.790
   78   2HD1  LEU  10          HD12      LEU  10   4.115   2.956   5.122
   79   3HD1  LEU  10          HD13      LEU  10   4.330   3.491   3.456
   80   1HD2  LEU  10          HD21      LEU  10   1.249   5.074   3.206
   81   2HD2  LEU  10          HD22      LEU  10   2.888   4.831   2.599
   82   3HD2  LEU  10          HD23      LEU  10   2.634   5.537   4.195
   83    H    PHE  11           HN       PHE  11   0.783   0.195   1.222
   84    HA   PHE  11           HA       PHE  11   2.880  -1.685   1.901
   85   1HB   PHE  11          HB2       PHE  11   0.219  -1.707   0.504
   86   2HB   PHE  11          HB1       PHE  11   1.240  -3.143   0.428
   87    HD1  PHE  11           HD1      PHE  11   1.345  -0.845   3.300
   88    HD2  PHE  11           HD2      PHE  11  -0.288  -4.512   1.768
   89    HE1  PHE  11           HE1      PHE  11   0.624  -1.481   5.586
   90    HE2  PHE  11           HE2      PHE  11  -1.007  -5.147   4.055
   91    HZ   PHE  11           HZ       PHE  11  -0.552  -3.630   5.964
   92    H    ASN  12           HN       ASN  12   1.568  -0.547  -1.238
   93    HA   ASN  12           HA       ASN  12   3.421  -1.959  -2.895
   94   1HB   ASN  12          HB2       ASN  12   1.263  -0.875  -3.564
   95   2HB   ASN  12          HB1       ASN  12   2.028   0.700  -3.357
   96   1HD2  ASN  12          HD21      ASN  12   1.010  -0.300  -5.908
   97   2HD2  ASN  12          HD22      ASN  12   2.339  -0.446  -6.954
   98    H    ARG  13           HN       ARG  13   3.538   1.308  -1.464
   99    HA   ARG  13           HA       ARG  13   5.979   2.141  -2.731
  100   1HB   ARG  13          HB2       ARG  13   4.555   2.901  -0.164
  101   2HB   ARG  13          HB1       ARG  13   5.940   3.790  -0.801
  102   1HG   ARG  13          HG2       ARG  13   3.421   3.269  -2.400
  103   2HG   ARG  13          HG1       ARG  13   3.688   4.739  -1.463
  104   1HD   ARG  13          HD2       ARG  13   5.530   3.744  -3.669
  105   2HD   ARG  13          HD1       ARG  13   4.348   5.057  -3.843
  106    HE   ARG  13           HE       ARG  13   5.999   5.515  -1.530
  107   1HH1  ARG  13          HH11      ARG  13   5.246   7.622  -3.522
  108   2HH1  ARG  13          HH12      ARG  13   6.766   7.966  -4.279
  109   1HH2  ARG  13          HH21      ARG  13   8.294   5.073  -3.129
  110   2HH2  ARG  13          HH22      ARG  13   8.491   6.523  -4.057
  111    H    SER  14           HN       SER  14   5.369   0.844   0.559
  112    HA   SER  14           HA       SER  14   8.105   0.721   1.372
  113   1HB   SER  14          HB2       SER  14   6.648   0.460   3.134
  114   2HB   SER  14          HB1       SER  14   5.472  -0.417   2.160
  115    HG   SER  14           HG       SER  14   7.672  -1.330   3.593
  116    H    PHE  15           HN       PHE  15   6.107  -1.486  -0.527
  117    HA   PHE  15           HA       PHE  15   7.900  -3.758  -0.383
  118   1HB   PHE  15          HB2       PHE  15   5.568  -4.039  -0.923
  119   2HB   PHE  15          HB1       PHE  15   5.679  -2.884  -2.252
  120    HD1  PHE  15           HD1      PHE  15   5.815  -3.774  -4.395
  121    HD2  PHE  15           HD2      PHE  15   7.431  -6.004  -1.099
  122    HE1  PHE  15           HE1      PHE  15   6.434  -5.610  -5.942
  123    HE2  PHE  15           HE2      PHE  15   8.052  -7.841  -2.646
  124    HZ   PHE  15           HZ       PHE  15   7.552  -7.644  -5.067
  125    H    THR  16           HN       THR  16   7.271  -1.347  -2.968
  126    HA   THR  16           HA       THR  16   9.080  -2.115  -4.912
  127    HB   THR  16           HB       THR  16   9.270   0.362  -5.349
  128    HG1  THR  16           HG1      THR  16   8.865   1.684  -3.783
  129   1HG2  THR  16          HG21      THR  16   6.487   0.413  -4.840
  130   2HG2  THR  16          HG22      THR  16   6.900  -1.267  -5.180
  131   3HG2  THR  16          HG23      THR  16   7.293  -0.009  -6.351
  132    H    GLN  17           HN       GLN  17  10.015   0.398  -2.539
  133    HA   GLN  17           HA       GLN  17  12.773   0.356  -2.922
  134   1HB   GLN  17          HB2       GLN  17  10.861   1.039  -0.781
  135   2HB   GLN  17          HB1       GLN  17  12.500   0.728  -0.209
  136   1HG   GLN  17          HG2       GLN  17  13.219   2.700  -1.019
  137   2HG   GLN  17          HG1       GLN  17  12.576   2.325  -2.618
  138   1HE2  GLN  17          HE21      GLN  17  11.467   4.268  -3.111
  139   2HE2  GLN  17          HE22      GLN  17  10.222   4.911  -2.153
  140    H    ALA  18           HN       ALA  18  11.706  -1.041   0.136
  141    HA   ALA  18           HA       ALA  18  13.425  -3.436  -0.434
  142   1HB   ALA  18          HB1       ALA  18  14.400  -1.924   1.205
  143   2HB   ALA  18          HB2       ALA  18  13.822  -3.360   2.051
  144   3HB   ALA  18          HB3       ALA  18  12.885  -1.868   2.107
  145   1HN   NH2  19          1HN       NH2  19  11.039  -2.681   2.158
  146   2HN   NH2  19          2HN       NH2  19  10.069  -4.047   1.886
  Start of MODEL   16
    1   1H    SER   1          1H        SER   1 -11.496   7.332   5.391
    2   2H    SER   1          2H        SER   1 -12.561   8.640   5.587
    3   3H    SER   1          3H        SER   1 -11.956   8.256   4.047
    4    HA   SER   1           HA       SER   1 -13.934   6.741   5.659
    5   1HB   SER   1          HB2       SER   1 -13.858   7.964   2.882
    6   2HB   SER   1          HB1       SER   1 -15.241   7.131   3.584
    7    HG   SER   1           HG       SER   1 -15.430   8.733   5.090
    8    H    GLY   2           HN       GLY   2 -11.510   6.598   3.089
    9   1HA   GLY   2          HA2       GLY   2 -12.175   3.717   2.670
   10   2HA   GLY   2          HA1       GLY   2 -11.289   4.717   1.518
   11    H    THR   3           HN       THR   3 -10.492   2.156   2.834
   12    HA   THR   3           HA       THR   3  -7.966   3.143   4.122
   13    HB   THR   3           HB       THR   3  -8.137   1.077   5.521
   14    HG1  THR   3           HG1      THR   3 -10.786   0.822   4.658
   15   1HG2  THR   3          HG21      THR   3  -9.516   3.457   5.788
   16   2HG2  THR   3          HG22      THR   3  -9.349   2.229   7.043
   17   3HG2  THR   3          HG23      THR   3 -10.780   2.248   6.011
   18    H    LEU   4           HN       LEU   4  -9.510   0.528   2.245
   19    HA   LEU   4           HA       LEU   4  -7.336  -1.112   1.652
   20   1HB   LEU   4          HB2       LEU   4  -9.878  -0.290   0.401
   21   2HB   LEU   4          HB1       LEU   4  -8.697  -0.946  -0.734
   22    HG   LEU   4           HG       LEU   4  -8.726  -2.543   1.669
   23   1HD1  LEU   4          HD11      LEU   4 -11.018  -1.817   1.987
   24   2HD1  LEU   4          HD12      LEU   4 -11.047  -3.460   1.347
   25   3HD1  LEU   4          HD13      LEU   4 -11.386  -2.093   0.284
   26   1HD2  LEU   4          HD21      LEU   4  -8.036  -3.818  -0.080
   27   2HD2  LEU   4          HD22      LEU   4  -8.876  -2.810  -1.259
   28   3HD2  LEU   4          HD23      LEU   4  -9.754  -4.067  -0.388
   29    H    SER   5           HN       SER   5  -8.289   1.857  -0.119
   30    HA   SER   5           HA       SER   5  -6.241   1.881  -2.058
   31   1HB   SER   5          HB2       SER   5  -8.185   3.675  -0.861
   32   2HB   SER   5          HB1       SER   5  -6.702   4.539  -1.251
   33    HG   SER   5           HG       SER   5  -7.785   4.553  -3.124
   34    H    THR   6           HN       THR   6  -6.199   3.878   0.923
   35    HA   THR   6           HA       THR   6  -3.513   4.660   0.864
   36    HB   THR   6           HB       THR   6  -4.011   4.329   3.529
   37    HG1  THR   6           HG1      THR   6  -6.336   4.687   3.642
   38   1HG2  THR   6          HG21      THR   6  -5.259   6.569   3.292
   39   2HG2  THR   6          HG22      THR   6  -5.002   6.386   1.557
   40   3HG2  THR   6          HG23      THR   6  -3.619   6.491   2.647
   41    H    PHE   7           HN       PHE   7  -4.742   1.931   2.851
   42    HA   PHE   7           HA       PHE   7  -2.389   0.780   3.708
   43   1HB   PHE   7          HB2       PHE   7  -5.062  -0.208   2.838
   44   2HB   PHE   7          HB1       PHE   7  -3.810  -1.429   3.069
   45    HD1  PHE   7           HD1      PHE   7  -5.053   1.679   4.779
   46    HD2  PHE   7           HD2      PHE   7  -3.620  -2.349   5.195
   47    HE1  PHE   7           HE1      PHE   7  -5.364   1.823   7.235
   48    HE2  PHE   7           HE2      PHE   7  -3.929  -2.205   7.651
   49    HZ   PHE   7           HZ       PHE   7  -4.802  -0.120   8.671
   50    H    PHE   8           HN       PHE   8  -3.828   0.421   0.466
   51    HA   PHE   8           HA       PHE   8  -1.811  -1.396  -0.536
   52   1HB   PHE   8          HB2       PHE   8  -4.224  -0.065  -1.378
   53   2HB   PHE   8          HB1       PHE   8  -2.993   0.125  -2.626
   54    HD1  PHE   8           HD1      PHE   8  -5.662  -1.782  -2.079
   55    HD2  PHE   8           HD2      PHE   8  -1.414  -2.311  -2.425
   56    HE1  PHE   8           HE1      PHE   8  -6.014  -4.132  -2.786
   57    HE2  PHE   8           HE2      PHE   8  -1.765  -4.662  -3.134
   58    HZ   PHE   8           HZ       PHE   8  -4.064  -5.572  -3.314
   59    H    ARG   9           HN       ARG   9  -2.145   2.128  -0.418
   60    HA   ARG   9           HA       ARG   9  -0.008   2.755  -2.250
   61   1HB   ARG   9          HB2       ARG   9  -1.111   4.295   0.125
   62   2HB   ARG   9          HB1       ARG   9  -0.241   4.983  -1.248
   63   1HG   ARG   9          HG2       ARG   9  -2.582   3.318  -1.955
   64   2HG   ARG   9          HG1       ARG   9  -2.959   4.820  -1.108
   65   1HD   ARG   9          HD2       ARG   9  -1.041   5.620  -2.953
   66   2HD   ARG   9          HD1       ARG   9  -2.014   4.442  -3.855
   67    HE   ARG   9           HE       ARG   9  -3.859   6.001  -2.433
   68   1HH1  ARG   9          HH21      ARG   9  -1.118   7.140  -4.053
   69   2HH1  ARG   9          HH22      ARG   9  -1.982   8.212  -5.104
   70   1HH2  ARG   9          HH11      ARG   9  -5.110   7.098  -4.104
   71   2HH2  ARG   9          HH12      ARG   9  -4.243   8.188  -5.133
   72    H    LEU  10           HN       LEU  10  -0.135   2.502   1.318
   73    HA   LEU  10           HA       LEU  10   2.675   3.061   1.711
   74   1HB   LEU  10          HB2       LEU  10   0.404   2.891   3.238
   75   2HB   LEU  10          HB1       LEU  10   1.228   1.397   3.683
   76    HG   LEU  10           HG       LEU  10   1.993   3.115   5.194
   77   1HD1  LEU  10          HD11      LEU  10   4.342   3.260   3.450
   78   2HD1  LEU  10          HD12      LEU  10   3.677   1.630   3.564
   79   3HD1  LEU  10          HD13      LEU  10   4.161   2.488   5.027
   80   1HD2  LEU  10          HD21      LEU  10   3.010   4.761   2.889
   81   2HD2  LEU  10          HD22      LEU  10   2.662   5.265   4.544
   82   3HD2  LEU  10          HD23      LEU  10   1.339   4.939   3.424
   83    H    PHE  11           HN       PHE  11   0.768   0.064   1.406
   84    HA   PHE  11           HA       PHE  11   2.897  -1.768   2.010
   85   1HB   PHE  11          HB2       PHE  11   0.237  -1.927   1.650
   86   2HB   PHE  11          HB1       PHE  11   0.753  -2.456   0.048
   87    HD1  PHE  11           HD1      PHE  11   2.790  -4.195   0.080
   88    HD2  PHE  11           HD2      PHE  11   0.035  -3.546   3.312
   89    HE1  PHE  11           HE1      PHE  11   3.331  -6.436   0.992
   90    HE2  PHE  11           HE2      PHE  11   0.577  -5.789   4.223
   91    HZ   PHE  11           HZ       PHE  11   2.225  -7.234   3.063
   92    H    ASN  12           HN       ASN  12   1.657  -0.505  -1.103
   93    HA   ASN  12           HA       ASN  12   3.526  -1.931  -2.763
   94   1HB   ASN  12          HB2       ASN  12   1.271  -0.457  -3.110
   95   2HB   ASN  12          HB1       ASN  12   2.486   0.721  -3.607
   96   1HD2  ASN  12          HD21      ASN  12   0.886  -0.105  -5.651
   97   2HD2  ASN  12          HD22      ASN  12   1.683  -1.218  -6.656
   98    H    ARG  13           HN       ARG  13   3.539   1.383  -1.416
   99    HA   ARG  13           HA       ARG  13   5.959   2.281  -2.620
  100   1HB   ARG  13          HB2       ARG  13   4.125   3.003  -0.449
  101   2HB   ARG  13          HB1       ARG  13   5.788   3.495  -0.125
  102   1HG   ARG  13          HG2       ARG  13   5.441   4.157  -2.798
  103   2HG   ARG  13          HG1       ARG  13   3.885   4.564  -2.073
  104   1HD   ARG  13          HD2       ARG  13   6.624   5.589  -1.269
  105   2HD   ARG  13          HD1       ARG  13   5.215   6.532  -1.798
  106    HE   ARG  13           HE       ARG  13   4.226   5.188   0.375
  107   1HH1  ARG  13          HH21      ARG  13   6.107   7.889  -0.203
  108   2HH1  ARG  13          HH22      ARG  13   6.666   8.077   1.426
  109   1HH2  ARG  13          HH11      ARG  13   5.359   5.049   2.501
  110   2HH2  ARG  13          HH12      ARG  13   6.243   6.468   2.957
  111    H    SER  14           HN       SER  14   5.389   0.615   0.493
  112    HA   SER  14           HA       SER  14   8.146   0.620   1.336
  113   1HB   SER  14          HB2       SER  14   5.688   0.014   2.396
  114   2HB   SER  14          HB1       SER  14   6.386  -1.591   2.198
  115    HG   SER  14           HG       SER  14   6.894   0.182   4.081
  116    H    PHE  15           HN       PHE  15   6.140  -1.759  -0.414
  117    HA   PHE  15           HA       PHE  15   8.092  -3.854  -0.526
  118   1HB   PHE  15          HB2       PHE  15   5.790  -4.307  -0.990
  119   2HB   PHE  15          HB1       PHE  15   5.717  -3.038  -2.213
  120    HD1  PHE  15           HD1      PHE  15   8.445  -5.524  -1.735
  121    HD2  PHE  15           HD2      PHE  15   5.119  -4.285  -4.154
  122    HE1  PHE  15           HE1      PHE  15   9.102  -7.161  -3.478
  123    HE2  PHE  15           HE2      PHE  15   5.776  -5.922  -5.897
  124    HZ   PHE  15           HZ       PHE  15   7.767  -7.361  -5.559
  125    H    THR  16           HN       THR  16   7.445  -1.077  -2.653
  126    HA   THR  16           HA       THR  16   8.930  -1.616  -4.919
  127    HB   THR  16           HB       THR  16   8.682   0.856  -3.195
  128    HG1  THR  16           HG1      THR  16   7.648   0.290  -5.763
  129   1HG2  THR  16          HG21      THR  16  10.795   0.952  -4.521
  130   2HG2  THR  16          HG22      THR  16   9.615   2.161  -5.025
  131   3HG2  THR  16          HG23      THR  16   9.848   0.701  -5.988
  132    H    GLN  17           HN       GLN  17  10.163  -1.089  -1.670
  133    HA   GLN  17           HA       GLN  17  12.931  -1.605  -2.704
  134   1HB   GLN  17          HB2       GLN  17  11.783   0.631  -1.176
  135   2HB   GLN  17          HB1       GLN  17  13.239  -0.042  -0.444
  136   1HG   GLN  17          HG2       GLN  17  14.577   0.517  -2.252
  137   2HG   GLN  17          HG1       GLN  17  13.234   0.461  -3.395
  138   1HE2  GLN  17          HE21      GLN  17  14.472   2.415  -0.635
  139   2HE2  GLN  17          HE22      GLN  17  13.819   3.881  -1.186
  140    H    ALA  18           HN       ALA  18  11.591  -1.128   0.569
  141    HA   ALA  18           HA       ALA  18  11.405  -3.844   1.366
  142   1HB   ALA  18          HB1       ALA  18  13.793  -3.562   2.647
  143   2HB   ALA  18          HB2       ALA  18  14.119  -2.662   1.167
  144   3HB   ALA  18          HB3       ALA  18  13.622  -4.352   1.080
  145   1HN   NH2  19          1HN       NH2  19  10.409  -3.776   3.415
  146   2HN   NH2  19          2HN       NH2  19  10.506  -2.472   4.498
  Start of MODEL   17
    1   1H    SER   1          1H        SER   1  -7.743   8.663   4.013
    2   2H    SER   1          2H        SER   1  -8.765  10.011   3.855
    3   3H    SER   1          3H        SER   1  -7.090  10.179   3.623
    4    HA   SER   1           HA       SER   1  -8.723   9.980   1.581
    5   1HB   SER   1          HB2       SER   1  -5.948   9.040   2.186
    6   2HB   SER   1          HB1       SER   1  -6.603   8.694   0.587
    7    HG   SER   1           HG       SER   1  -5.602  10.969   1.495
    8    H    GLY   2           HN       GLY   2  -9.508   7.867   3.644
    9   1HA   GLY   2          HA2       GLY   2 -10.968   5.991   3.026
   10   2HA   GLY   2          HA1       GLY   2  -9.878   5.649   1.681
   11    H    THR   3           HN       THR   3  -9.921   3.422   2.672
   12    HA   THR   3           HA       THR   3  -7.839   3.224   4.824
   13    HB   THR   3           HB       THR   3  -9.157   1.457   5.825
   14    HG1  THR   3           HG1      THR   3 -10.041   0.387   4.173
   15   1HG2  THR   3          HG21      THR   3 -10.906   2.738   6.663
   16   2HG2  THR   3          HG22      THR   3 -11.281   3.439   5.088
   17   3HG2  THR   3          HG23      THR   3  -9.866   3.992   5.984
   18    H    LEU   4           HN       LEU   4  -9.577   1.326   2.322
   19    HA   LEU   4           HA       LEU   4  -7.552  -0.697   2.061
   20   1HB   LEU   4          HB2       LEU   4 -10.048   0.180   0.789
   21   2HB   LEU   4          HB1       LEU   4  -8.919  -0.555  -0.350
   22    HG   LEU   4           HG       LEU   4  -8.934  -2.093   2.079
   23   1HD1  LEU   4          HD11      LEU   4 -11.133  -2.456   2.555
   24   2HD1  LEU   4          HD12      LEU   4 -11.617  -2.340   0.863
   25   3HD1  LEU   4          HD13      LEU   4 -11.367  -0.874   1.811
   26   1HD2  LEU   4          HD21      LEU   4  -8.284  -2.901  -0.161
   27   2HD2  LEU   4          HD22      LEU   4  -9.939  -2.672  -0.728
   28   3HD2  LEU   4          HD23      LEU   4  -9.588  -3.886   0.502
   29    H    SER   5           HN       SER   5  -8.352   2.053  -0.108
   30    HA   SER   5           HA       SER   5  -6.256   1.815  -1.946
   31   1HB   SER   5          HB2       SER   5  -6.890   4.544  -0.971
   32   2HB   SER   5          HB1       SER   5  -7.002   3.881  -2.598
   33    HG   SER   5           HG       SER   5  -8.839   3.823  -0.488
   34    H    THR   6           HN       THR   6  -6.175   3.956   0.939
   35    HA   THR   6           HA       THR   6  -3.489   4.715   0.866
   36    HB   THR   6           HB       THR   6  -3.974   4.387   3.537
   37    HG1  THR   6           HG1      THR   6  -6.128   4.385   3.877
   38   1HG2  THR   6          HG21      THR   6  -5.254   6.640   3.255
   39   2HG2  THR   6          HG22      THR   6  -4.871   6.453   1.544
   40   3HG2  THR   6          HG23      THR   6  -3.572   6.554   2.732
   41    H    PHE   7           HN       PHE   7  -4.722   1.997   2.866
   42    HA   PHE   7           HA       PHE   7  -2.359   0.835   3.700
   43   1HB   PHE   7          HB2       PHE   7  -5.080  -0.069   2.972
   44   2HB   PHE   7          HB1       PHE   7  -3.869  -1.350   3.008
   45    HD1  PHE   7           HD1      PHE   7  -4.354   1.767   5.042
   46    HD2  PHE   7           HD2      PHE   7  -3.999  -2.514   5.026
   47    HE1  PHE   7           HE1      PHE   7  -4.441   1.750   7.521
   48    HE2  PHE   7           HE2      PHE   7  -4.086  -2.530   7.504
   49    HZ   PHE   7           HZ       PHE   7  -4.307  -0.399   8.751
   50    H    PHE   8           HN       PHE   8  -3.866   0.479   0.490
   51    HA   PHE   8           HA       PHE   8  -1.917  -1.375  -0.558
   52   1HB   PHE   8          HB2       PHE   8  -4.329  -0.631  -1.316
   53   2HB   PHE   8          HB1       PHE   8  -3.455   0.610  -2.212
   54    HD1  PHE   8           HD1      PHE   8  -1.235  -0.382  -3.438
   55    HD2  PHE   8           HD2      PHE   8  -4.788  -2.595  -2.473
   56    HE1  PHE   8           HE1      PHE   8  -0.680  -2.040  -5.197
   57    HE2  PHE   8           HE2      PHE   8  -4.233  -4.253  -4.231
   58    HZ   PHE   8           HZ       PHE   8  -2.179  -3.975  -5.594
   59    H    ARG   9           HN       ARG   9  -2.129   2.159  -0.408
   60    HA   ARG   9           HA       ARG   9   0.030   2.717  -2.240
   61   1HB   ARG   9          HB2       ARG   9  -1.161   4.245   0.099
   62   2HB   ARG   9          HB1       ARG   9  -0.085   4.949  -1.110
   63   1HG   ARG   9          HG2       ARG   9  -1.796   4.023  -2.840
   64   2HG   ARG   9          HG1       ARG   9  -2.894   3.920  -1.462
   65   1HD   ARG   9          HD2       ARG   9  -3.224   6.167  -1.454
   66   2HD   ARG   9          HD1       ARG   9  -1.482   6.489  -1.567
   67    HE   ARG   9           HE       ARG   9  -2.254   5.466  -4.074
   68   1HH1  ARG   9          HH21      ARG   9  -2.417   8.271  -2.111
   69   2HH1  ARG   9          HH22      ARG   9  -3.026   9.292  -3.372
   70   1HH2  ARG   9          HH11      ARG   9  -3.284   6.725  -5.688
   71   2HH2  ARG   9          HH12      ARG   9  -3.517   8.416  -5.397
   72    H    LEU  10           HN       LEU  10  -0.122   2.457   1.325
   73    HA   LEU  10           HA       LEU  10   2.691   2.947   1.753
   74   1HB   LEU  10          HB2       LEU  10   0.274   2.309   3.229
   75   2HB   LEU  10          HB1       LEU  10   1.641   1.386   3.853
   76    HG   LEU  10           HG       LEU  10   2.773   3.857   3.500
   77   1HD1  LEU  10          HD11      LEU  10   1.242   5.542   4.293
   78   2HD1  LEU  10          HD12      LEU  10  -0.014   4.338   4.588
   79   3HD1  LEU  10          HD13      LEU  10   0.463   4.728   2.936
   80   1HD2  LEU  10          HD21      LEU  10   1.445   3.609   6.098
   81   2HD2  LEU  10          HD22      LEU  10   3.166   3.581   5.714
   82   3HD2  LEU  10          HD23      LEU  10   2.209   2.105   5.585
   83    H    PHE  11           HN       PHE  11   0.745   0.007   1.289
   84    HA   PHE  11           HA       PHE  11   2.808  -1.893   1.913
   85   1HB   PHE  11          HB2       PHE  11   0.108  -1.780   0.850
   86   2HB   PHE  11          HB1       PHE  11   1.068  -2.983  -0.013
   87    HD1  PHE  11           HD1      PHE  11  -1.055  -2.587   2.693
   88    HD2  PHE  11           HD2      PHE  11   2.745  -4.323   1.699
   89    HE1  PHE  11           HE1      PHE  11  -1.260  -4.136   4.619
   90    HE2  PHE  11           HE2      PHE  11   2.541  -5.872   3.625
   91    HZ   PHE  11           HZ       PHE  11   0.538  -5.779   5.084
   92    H    ASN  12           HN       ASN  12   1.626  -0.696  -1.258
   93    HA   ASN  12           HA       ASN  12   3.597  -2.035  -2.841
   94   1HB   ASN  12          HB2       ASN  12   1.387  -0.930  -3.503
   95   2HB   ASN  12          HB1       ASN  12   2.245   0.610  -3.432
   96   1HD2  ASN  12          HD21      ASN  12   1.679  -2.204  -5.382
   97   2HD2  ASN  12          HD22      ASN  12   2.758  -1.813  -6.632
   98    H    ARG  13           HN       ARG  13   3.481   1.346  -1.647
   99    HA   ARG  13           HA       ARG  13   5.962   2.219  -2.701
  100   1HB   ARG  13          HB2       ARG  13   3.988   3.405  -1.442
  101   2HB   ARG  13          HB1       ARG  13   4.933   3.047   0.004
  102   1HG   ARG  13          HG2       ARG  13   6.678   4.444  -0.620
  103   2HG   ARG  13          HG1       ARG  13   6.318   4.296  -2.340
  104   1HD   ARG  13          HD2       ARG  13   5.510   6.448  -1.937
  105   2HD   ARG  13          HD1       ARG  13   4.047   5.505  -1.589
  106    HE   ARG  13           HE       ARG  13   5.749   5.689   0.745
  107   1HH1  ARG  13          HH21      ARG  13   2.656   6.025   0.250
  108   2HH1  ARG  13          HH22      ARG  13   2.441   7.618   0.896
  109   1HH2  ARG  13          HH11      ARG  13   5.832   8.337   0.960
  110   2HH2  ARG  13          HH12      ARG  13   4.239   8.927   1.298
  111    H    SER  14           HN       SER  14   5.229   0.531   0.352
  112    HA   SER  14           HA       SER  14   7.881   0.662   1.453
  113   1HB   SER  14          HB2       SER  14   5.576  -1.276   1.818
  114   2HB   SER  14          HB1       SER  14   6.981  -1.198   2.876
  115    HG   SER  14           HG       SER  14   4.777   0.352   2.827
  116    H    PHE  15           HN       PHE  15   6.196  -1.928  -0.366
  117    HA   PHE  15           HA       PHE  15   8.408  -3.749  -0.436
  118   1HB   PHE  15          HB2       PHE  15   6.122  -4.426  -0.877
  119   2HB   PHE  15          HB1       PHE  15   6.004  -3.300  -2.230
  120    HD1  PHE  15           HD1      PHE  15   5.503  -4.971  -3.921
  121    HD2  PHE  15           HD2      PHE  15   9.039  -5.274  -1.499
  122    HE1  PHE  15           HE1      PHE  15   6.400  -6.707  -5.448
  123    HE2  PHE  15           HE2      PHE  15   9.935  -7.011  -3.026
  124    HZ   PHE  15           HZ       PHE  15   8.616  -7.727  -5.000
  125    H    THR  16           HN       THR  16   7.575  -0.950  -2.396
  126    HA   THR  16           HA       THR  16   9.438  -1.577  -4.560
  127    HB   THR  16           HB       THR  16   8.878   1.004  -4.912
  128    HG1  THR  16           HG1      THR  16   6.596   0.325  -3.486
  129   1HG2  THR  16          HG21      THR  16   7.052  -1.377  -5.201
  130   2HG2  THR  16          HG22      THR  16   8.006  -0.566  -6.444
  131   3HG2  THR  16          HG23      THR  16   6.574   0.220  -5.779
  132    H    GLN  17           HN       GLN  17   9.379   1.089  -2.155
  133    HA   GLN  17           HA       GLN  17  11.886   2.189  -2.506
  134   1HB   GLN  17          HB2       GLN  17  10.029   1.721  -0.244
  135   2HB   GLN  17          HB1       GLN  17  11.678   2.146   0.215
  136   1HG   GLN  17          HG2       GLN  17  10.363   3.737  -1.950
  137   2HG   GLN  17          HG1       GLN  17   9.871   4.032  -0.282
  138   1HE2  GLN  17          HE21      GLN  17  11.018   5.816   0.478
  139   2HE2  GLN  17          HE22      GLN  17  12.673   6.091   0.218
  140    H    ALA  18           HN       ALA  18  11.311  -0.413  -0.101
  141    HA   ALA  18           HA       ALA  18  14.091  -1.395  -0.663
  142   1HB   ALA  18          HB1       ALA  18  13.707  -2.078   1.909
  143   2HB   ALA  18          HB2       ALA  18  12.615  -0.695   1.834
  144   3HB   ALA  18          HB3       ALA  18  14.324  -0.491   1.449
  145   1HN   NH2  19          1HN       NH2  19  12.478  -2.777  -2.204
  146   2HN   NH2  19          2HN       NH2  19  11.909  -4.221  -1.516
  Start of MODEL   18
    1   1H    SER   1          1H        SER   1 -17.968  -0.290   2.990
    2   2H    SER   1          2H        SER   1 -17.268   1.252   3.131
    3   3H    SER   1          3H        SER   1 -18.261   0.650   4.371
    4    HA   SER   1           HA       SER   1 -15.760   0.564   4.776
    5   1HB   SER   1          HB2       SER   1 -17.719  -0.635   5.918
    6   2HB   SER   1          HB1       SER   1 -17.326  -2.024   4.910
    7    HG   SER   1           HG       SER   1 -15.875  -0.826   6.988
    8    H    GLY   2           HN       GLY   2 -15.241   0.615   2.170
    9   1HA   GLY   2          HA2       GLY   2 -13.658  -1.825   1.726
   10   2HA   GLY   2          HA1       GLY   2 -14.903  -1.509   0.515
   11    H    THR   3           HN       THR   3 -11.964  -0.193   1.988
   12    HA   THR   3           HA       THR   3 -11.661   1.578  -0.418
   13    HB   THR   3           HB       THR   3 -10.048   2.623   1.551
   14    HG1  THR   3           HG1      THR   3 -11.036   2.386   3.462
   15   1HG2  THR   3          HG21      THR   3 -11.335   4.262   0.657
   16   2HG2  THR   3          HG22      THR   3 -12.432   3.910   1.992
   17   3HG2  THR   3          HG23      THR   3 -12.704   3.177   0.412
   18    H    LEU   4           HN       LEU   4  -9.359   0.662   2.130
   19    HA   LEU   4           HA       LEU   4  -7.302  -0.503   2.012
   20   1HB   LEU   4          HB2       LEU   4  -8.257  -1.443  -0.703
   21   2HB   LEU   4          HB1       LEU   4  -7.203  -2.283   0.431
   22    HG   LEU   4           HG       LEU   4 -10.169  -1.760   0.712
   23   1HD1  LEU   4          HD11      LEU   4  -9.905  -4.336   1.228
   24   2HD1  LEU   4          HD12      LEU   4  -8.390  -4.148   0.346
   25   3HD1  LEU   4          HD13      LEU   4  -9.922  -3.767  -0.440
   26   1HD2  LEU   4          HD21      LEU   4  -9.422  -3.246   2.906
   27   2HD2  LEU   4          HD22      LEU   4  -9.730  -1.510   2.929
   28   3HD2  LEU   4          HD23      LEU   4  -8.080  -2.111   2.760
   29    H    SER   5           HN       SER   5  -8.180   2.046   0.072
   30    HA   SER   5           HA       SER   5  -6.228   2.168  -1.984
   31   1HB   SER   5          HB2       SER   5  -6.653   4.620  -1.782
   32   2HB   SER   5          HB1       SER   5  -8.143   3.683  -1.749
   33    HG   SER   5           HG       SER   5  -7.560   5.419  -0.033
   34    H    THR   6           HN       THR   6  -6.028   4.026   1.073
   35    HA   THR   6           HA       THR   6  -3.309   4.684   0.964
   36    HB   THR   6           HB       THR   6  -3.743   4.331   3.627
   37    HG1  THR   6           HG1      THR   6  -5.972   4.580   3.954
   38   1HG2  THR   6          HG21      THR   6  -3.708   6.570   3.454
   39   2HG2  THR   6          HG22      THR   6  -5.342   6.560   2.791
   40   3HG2  THR   6          HG23      THR   6  -3.952   6.422   1.714
   41    H    PHE   7           HN       PHE   7  -4.645   1.947   2.872
   42    HA   PHE   7           HA       PHE   7  -2.339   0.662   3.672
   43   1HB   PHE   7          HB2       PHE   7  -4.892  -0.484   2.497
   44   2HB   PHE   7          HB1       PHE   7  -3.714  -1.441   3.397
   45    HD1  PHE   7           HD1      PHE   7  -2.969  -0.347   5.723
   46    HD2  PHE   7           HD2      PHE   7  -6.665   0.449   3.684
   47    HE1  PHE   7           HE1      PHE   7  -3.983   0.404   7.858
   48    HE2  PHE   7           HE2      PHE   7  -7.680   1.201   5.819
   49    HZ   PHE   7           HZ       PHE   7  -6.340   1.179   7.905
   50    H    PHE   8           HN       PHE   8  -3.825   0.461   0.434
   51    HA   PHE   8           HA       PHE   8  -1.883  -1.392  -0.647
   52   1HB   PHE   8          HB2       PHE   8  -4.033   0.446  -1.642
   53   2HB   PHE   8          HB1       PHE   8  -2.906  -0.237  -2.815
   54    HD1  PHE   8           HD1      PHE   8  -4.281  -1.708   0.339
   55    HD2  PHE   8           HD2      PHE   8  -4.097  -1.920  -3.947
   56    HE1  PHE   8           HE1      PHE   8  -5.523  -3.854   0.392
   57    HE2  PHE   8           HE2      PHE   8  -5.340  -4.067  -3.894
   58    HZ   PHE   8           HZ       PHE   8  -6.052  -5.034  -1.724
   59    H    ARG   9           HN       ARG   9  -2.086   2.138  -0.420
   60    HA   ARG   9           HA       ARG   9   0.077   2.715  -2.250
   61   1HB   ARG   9          HB2       ARG   9  -1.862   4.153  -1.168
   62   2HB   ARG   9          HB1       ARG   9  -0.665   4.440   0.096
   63   1HG   ARG   9          HG2       ARG   9   0.907   4.931  -1.996
   64   2HG   ARG   9          HG1       ARG   9  -0.637   5.294  -2.768
   65   1HD   ARG   9          HD2       ARG   9  -0.156   6.453  -0.051
   66   2HD   ARG   9          HD1       ARG   9   0.690   7.185  -1.430
   67    HE   ARG   9           HE       ARG   9  -2.235   6.679  -1.664
   68   1HH1  ARG   9          HH21      ARG   9  -1.469   9.071   0.057
   69   2HH1  ARG   9          HH22      ARG   9  -1.496  10.349  -1.113
   70   1HH2  ARG   9          HH11      ARG   9  -1.440   8.210  -3.842
   71   2HH2  ARG   9          HH12      ARG   9  -1.479   9.861  -3.320
   72    H    LEU  10           HN       LEU  10  -0.111   2.295   1.288
   73    HA   LEU  10           HA       LEU  10   2.698   2.862   1.753
   74   1HB   LEU  10          HB2       LEU  10   0.358   2.583   3.221
   75   2HB   LEU  10          HB1       LEU  10   1.294   1.163   3.691
   76    HG   LEU  10           HG       LEU  10   3.015   3.480   3.575
   77   1HD1  LEU  10          HD11      LEU  10   1.985   4.701   5.496
   78   2HD1  LEU  10          HD12      LEU  10   0.549   3.691   5.329
   79   3HD1  LEU  10          HD13      LEU  10   1.010   4.792   4.030
   80   1HD2  LEU  10          HD21      LEU  10   3.721   2.670   5.673
   81   2HD2  LEU  10          HD22      LEU  10   3.141   1.215   4.861
   82   3HD2  LEU  10          HD23      LEU  10   2.128   2.019   6.059
   83    H    PHE  11           HN       PHE  11   0.776  -0.108   1.319
   84    HA   PHE  11           HA       PHE  11   2.906  -1.959   1.904
   85   1HB   PHE  11          HB2       PHE  11   0.155  -1.923   0.987
   86   2HB   PHE  11          HB1       PHE  11   1.091  -3.111   0.078
   87    HD1  PHE  11           HD1      PHE  11  -0.487  -2.338   3.229
   88    HD2  PHE  11           HD2      PHE  11   2.498  -4.804   1.370
   89    HE1  PHE  11           HE1      PHE  11  -0.547  -3.875   5.174
   90    HE2  PHE  11           HE2      PHE  11   2.438  -6.341   3.315
   91    HZ   PHE  11           HZ       PHE  11   0.917  -5.877   5.217
   92    H    ASN  12           HN       ASN  12   1.636  -0.651  -1.177
   93    HA   ASN  12           HA       ASN  12   3.524  -2.057  -2.853
   94   1HB   ASN  12          HB2       ASN  12   1.227  -0.885  -3.322
   95   2HB   ASN  12          HB1       ASN  12   2.206   0.567  -3.528
   96   1HD2  ASN  12          HD21      ASN  12   3.750   0.609  -5.327
   97   2HD2  ASN  12          HD22      ASN  12   3.639  -0.506  -6.603
   98    H    ARG  13           HN       ARG  13   3.403   1.308  -1.629
   99    HA   ARG  13           HA       ARG  13   5.831   2.204  -2.835
  100   1HB   ARG  13          HB2       ARG  13   3.883   3.441  -1.636
  101   2HB   ARG  13          HB1       ARG  13   4.782   3.110  -0.155
  102   1HG   ARG  13          HG2       ARG  13   6.497   4.151  -2.279
  103   2HG   ARG  13          HG1       ARG  13   5.198   5.268  -1.858
  104   1HD   ARG  13          HD2       ARG  13   6.181   4.233   0.597
  105   2HD   ARG  13          HD1       ARG  13   7.596   4.693  -0.370
  106    HE   ARG  13           HE       ARG  13   6.400   6.910  -0.746
  107   1HH1  ARG  13          HH21      ARG  13   4.645   4.977   1.377
  108   2HH1  ARG  13          HH22      ARG  13   4.468   6.187   2.605
  109   1HH2  ARG  13          HH11      ARG  13   6.611   8.438   1.069
  110   2HH2  ARG  13          HH12      ARG  13   5.581   8.146   2.430
  111    H    SER  14           HN       SER  14   5.198   0.733   0.360
  112    HA   SER  14           HA       SER  14   7.915   0.912   1.309
  113   1HB   SER  14          HB2       SER  14   7.058  -0.676   3.006
  114   2HB   SER  14          HB1       SER  14   5.907   0.627   2.721
  115    HG   SER  14           HG       SER  14   5.246  -1.769   2.679
  116    H    PHE  15           HN       PHE  15   6.078  -1.656  -0.355
  117    HA   PHE  15           HA       PHE  15   8.092  -3.683  -0.243
  118   1HB   PHE  15          HB2       PHE  15   5.563  -3.092  -1.598
  119   2HB   PHE  15          HB1       PHE  15   6.654  -4.055  -2.595
  120    HD1  PHE  15           HD1      PHE  15   4.933  -3.895   0.693
  121    HD2  PHE  15           HD2      PHE  15   7.156  -6.333  -2.056
  122    HE1  PHE  15           HE1      PHE  15   4.385  -5.906   2.035
  123    HE2  PHE  15           HE2      PHE  15   6.609  -8.346  -0.715
  124    HZ   PHE  15           HZ       PHE  15   5.223  -8.133   1.332
  125    H    THR  16           HN       THR  16   7.410  -1.166  -2.685
  126    HA   THR  16           HA       THR  16   9.393  -1.958  -4.586
  127    HB   THR  16           HB       THR  16   9.132   0.503  -5.250
  128    HG1  THR  16           HG1      THR  16   8.355   1.732  -3.762
  129   1HG2  THR  16          HG21      THR  16   7.198  -1.652  -5.208
  130   2HG2  THR  16          HG22      THR  16   7.512  -0.464  -6.473
  131   3HG2  THR  16          HG23      THR  16   6.386  -0.087  -5.170
  132    H    GLN  17           HN       GLN  17   9.626  -0.241  -1.545
  133    HA   GLN  17           HA       GLN  17  12.465   0.497  -2.139
  134   1HB   GLN  17          HB2       GLN  17  10.801   2.232  -1.412
  135   2HB   GLN  17          HB1       GLN  17  10.608   1.353   0.105
  136   1HG   GLN  17          HG2       GLN  17  12.814   1.809   0.795
  137   2HG   GLN  17          HG1       GLN  17  13.338   2.210  -0.841
  138   1HE2  GLN  17          HE21      GLN  17  14.056   4.205   0.693
  139   2HE2  GLN  17          HE22      GLN  17  12.957   5.498   0.710
  140    H    ALA  18           HN       ALA  18  10.552  -1.785  -0.459
  141    HA   ALA  18           HA       ALA  18  11.135  -3.495   1.066
  142   1HB   ALA  18          HB1       ALA  18  13.991  -2.695   0.500
  143   2HB   ALA  18          HB2       ALA  18  13.008  -3.482  -0.736
  144   3HB   ALA  18          HB3       ALA  18  13.342  -4.309   0.786
  145   1HN   NH2  19          1HN       NH2  19  10.328  -1.559   2.634
  146   2HN   NH2  19          2HN       NH2  19  11.441  -1.102   3.831
  Start of MODEL   19
    1   1H    SER   1          1H        SER   1 -16.952  -0.052   5.672
    2   2H    SER   1          2H        SER   1 -16.698   1.478   6.366
    3   3H    SER   1          3H        SER   1 -15.506   0.275   6.498
    4    HA   SER   1           HA       SER   1 -16.333   1.100   3.803
    5   1HB   SER   1          HB2       SER   1 -14.216   2.655   5.216
    6   2HB   SER   1          HB1       SER   1 -15.340   3.177   3.964
    7    HG   SER   1           HG       SER   1 -16.935   3.348   5.476
    8    H    GLY   2           HN       GLY   2 -15.261  -0.528   2.722
    9   1HA   GLY   2          HA2       GLY   2 -12.637  -1.455   3.758
   10   2HA   GLY   2          HA1       GLY   2 -13.600  -2.274   2.526
   11    H    THR   3           HN       THR   3 -12.395   1.085   2.813
   12    HA   THR   3           HA       THR   3 -11.934   1.497   0.056
   13    HB   THR   3           HB       THR   3  -9.994   2.964   1.433
   14    HG1  THR   3           HG1      THR   3 -10.672   3.223   3.420
   15   1HG2  THR   3          HG21      THR   3 -11.256   4.627   0.591
   16   2HG2  THR   3          HG22      THR   3 -12.634   4.169   1.591
   17   3HG2  THR   3          HG23      THR   3 -12.378   3.388   0.030
   18    H    LEU   4           HN       LEU   4  -9.348   0.918   2.469
   19    HA   LEU   4           HA       LEU   4  -7.379  -0.398   2.298
   20   1HB   LEU   4          HB2       LEU   4  -9.338  -1.623   0.691
   21   2HB   LEU   4          HB1       LEU   4  -7.900  -1.531  -0.326
   22    HG   LEU   4           HG       LEU   4  -8.013  -3.619   1.069
   23   1HD1  LEU   4          HD11      LEU   4  -5.663  -2.444   2.268
   24   2HD1  LEU   4          HD12      LEU   4  -5.847  -1.861   0.613
   25   3HD1  LEU   4          HD13      LEU   4  -5.766  -3.594   0.934
   26   1HD2  LEU   4          HD21      LEU   4  -7.187  -2.104   3.479
   27   2HD2  LEU   4          HD22      LEU   4  -8.188  -3.551   3.348
   28   3HD2  LEU   4          HD23      LEU   4  -8.891  -1.962   3.048
   29    H    SER   5           HN       SER   5  -8.295   2.088   0.256
   30    HA   SER   5           HA       SER   5  -6.393   2.098  -1.841
   31   1HB   SER   5          HB2       SER   5  -6.675   4.733  -1.098
   32   2HB   SER   5          HB1       SER   5  -7.836   3.845  -2.083
   33    HG   SER   5           HG       SER   5  -9.132   3.643  -0.394
   34    H    THR   6           HN       THR   6  -6.077   4.069   1.135
   35    HA   THR   6           HA       THR   6  -3.362   4.698   0.930
   36    HB   THR   6           HB       THR   6  -3.707   4.407   3.612
   37    HG1  THR   6           HG1      THR   6  -5.784   4.302   4.112
   38   1HG2  THR   6          HG21      THR   6  -5.211   6.657   3.103
   39   2HG2  THR   6          HG22      THR   6  -4.312   6.458   1.598
   40   3HG2  THR   6          HG23      THR   6  -3.449   6.606   3.129
   41    H    PHE   7           HN       PHE   7  -4.671   1.990   2.900
   42    HA   PHE   7           HA       PHE   7  -2.357   0.710   3.685
   43   1HB   PHE   7          HB2       PHE   7  -4.960  -0.385   2.587
   44   2HB   PHE   7          HB1       PHE   7  -3.753  -1.410   3.365
   45    HD1  PHE   7           HD1      PHE   7  -6.693   0.326   3.961
   46    HD2  PHE   7           HD2      PHE   7  -2.787  -0.247   5.653
   47    HE1  PHE   7           HE1      PHE   7  -7.560   0.993   6.187
   48    HE2  PHE   7           HE2      PHE   7  -3.653   0.421   7.879
   49    HZ   PHE   7           HZ       PHE   7  -6.040   1.040   8.146
   50    H    PHE   8           HN       PHE   8  -3.898   0.434   0.475
   51    HA   PHE   8           HA       PHE   8  -1.958  -1.407  -0.613
   52   1HB   PHE   8          HB2       PHE   8  -4.386  -0.154  -1.330
   53   2HB   PHE   8          HB1       PHE   8  -3.218   0.330  -2.559
   54    HD1  PHE   8           HD1      PHE   8  -1.500  -1.776  -3.113
   55    HD2  PHE   8           HD2      PHE   8  -5.608  -2.053  -1.886
   56    HE1  PHE   8           HE1      PHE   8  -1.660  -4.022  -4.153
   57    HE2  PHE   8           HE2      PHE   8  -5.767  -4.299  -2.926
   58    HZ   PHE   8           HZ       PHE   8  -3.793  -5.283  -4.060
   59    H    ARG   9           HN       ARG   9  -2.185   2.129  -0.450
   60    HA   ARG   9           HA       ARG   9  -0.054   2.705  -2.303
   61   1HB   ARG   9          HB2       ARG   9  -1.967   4.118  -1.058
   62   2HB   ARG   9          HB1       ARG   9  -0.632   4.460   0.044
   63   1HG   ARG   9          HG2       ARG   9  -0.173   6.126  -1.445
   64   2HG   ARG   9          HG1       ARG   9   0.605   4.827  -2.349
   65   1HD   ARG   9          HD2       ARG   9  -0.906   6.038  -3.850
   66   2HD   ARG   9          HD1       ARG   9  -1.596   4.434  -3.531
   67    HE   ARG   9           HE       ARG   9  -2.910   5.623  -1.657
   68   1HH1  ARG   9          HH21      ARG   9  -3.619   6.167  -4.675
   69   2HH1  ARG   9          HH22      ARG   9  -4.002   7.853  -4.575
   70   1HH2  ARG   9          HH11      ARG   9  -2.597   8.256  -1.431
   71   2HH2  ARG   9          HH12      ARG   9  -3.424   9.036  -2.738
   72    H    LEU  10           HN       LEU  10  -0.133   2.477   1.270
   73    HA   LEU  10           HA       LEU  10   2.683   2.934   1.650
   74   1HB   LEU  10          HB2       LEU  10   0.302   2.383   3.157
   75   2HB   LEU  10          HB1       LEU  10   1.577   1.297   3.712
   76    HG   LEU  10           HG       LEU  10   2.367   4.126   3.265
   77   1HD1  LEU  10          HD11      LEU  10   0.027   3.591   4.722
   78   2HD1  LEU  10          HD12      LEU  10   0.982   5.073   4.771
   79   3HD1  LEU  10          HD13      LEU  10   1.287   3.789   5.940
   80   1HD2  LEU  10          HD21      LEU  10   2.893   2.016   5.379
   81   2HD2  LEU  10          HD22      LEU  10   3.600   3.631   5.403
   82   3HD2  LEU  10          HD23      LEU  10   3.988   2.518   4.092
   83    H    PHE  11           HN       PHE  11   0.730  -0.020   1.253
   84    HA   PHE  11           HA       PHE  11   2.797  -1.922   1.794
   85   1HB   PHE  11          HB2       PHE  11   0.099  -1.786   0.683
   86   2HB   PHE  11          HB1       PHE  11   1.073  -3.024  -0.110
   87    HD1  PHE  11           HD1      PHE  11  -0.853  -2.206   2.791
   88    HD2  PHE  11           HD2      PHE  11   2.415  -4.635   1.421
   89    HE1  PHE  11           HE1      PHE  11  -1.130  -3.689   4.760
   90    HE2  PHE  11           HE2      PHE  11   2.137  -6.118   3.390
   91    HZ   PHE  11           HZ       PHE  11   0.365  -5.644   5.059
   92    H    ASN  12           HN       ASN  12   1.611  -0.635  -1.337
   93    HA   ASN  12           HA       ASN  12   3.523  -1.959  -2.991
   94   1HB   ASN  12          HB2       ASN  12   1.340  -0.675  -3.527
   95   2HB   ASN  12          HB1       ASN  12   2.341   0.778  -3.493
   96   1HD2  ASN  12          HD21      ASN  12   1.269  -1.743  -5.517
   97   2HD2  ASN  12          HD22      ASN  12   2.400  -1.546  -6.767
   98    H    ARG  13           HN       ARG  13   3.547   1.393  -1.703
   99    HA   ARG  13           HA       ARG  13   6.076   2.177  -2.709
  100   1HB   ARG  13          HB2       ARG  13   4.047   3.210  -1.137
  101   2HB   ARG  13          HB1       ARG  13   5.403   3.134  -0.012
  102   1HG   ARG  13          HG2       ARG  13   5.475   5.283  -1.129
  103   2HG   ARG  13          HG1       ARG  13   6.812   4.304  -1.734
  104   1HD   ARG  13          HD2       ARG  13   4.874   3.594  -3.508
  105   2HD   ARG  13          HD1       ARG  13   4.396   5.268  -3.161
  106    HE   ARG  13           HE       ARG  13   6.792   5.900  -3.679
  107   1HH1  ARG  13          HH21      ARG  13   4.965   3.965  -5.650
  108   2HH1  ARG  13          HH22      ARG  13   6.282   3.322  -6.573
  109   1HH2  ARG  13          HH11      ARG  13   8.727   4.619  -4.485
  110   2HH2  ARG  13          HH12      ARG  13   8.412   3.692  -5.913
  111    H    SER  14           HN       SER  14   5.326   0.889   0.558
  112    HA   SER  14           HA       SER  14   7.937   0.707   1.572
  113   1HB   SER  14          HB2       SER  14   5.333  -0.690   1.948
  114   2HB   SER  14          HB1       SER  14   6.750  -1.460   2.655
  115    HG   SER  14           HG       SER  14   5.740   0.062   4.065
  116    H    PHE  15           HN       PHE  15   6.156  -1.747  -0.334
  117    HA   PHE  15           HA       PHE  15   8.166  -3.750  -0.386
  118   1HB   PHE  15          HB2       PHE  15   5.752  -3.862  -1.133
  119   2HB   PHE  15          HB1       PHE  15   6.227  -2.991  -2.592
  120    HD1  PHE  15           HD1      PHE  15   8.393  -4.011  -3.803
  121    HD2  PHE  15           HD2      PHE  15   5.738  -6.189  -1.223
  122    HE1  PHE  15           HE1      PHE  15   9.138  -6.140  -4.834
  123    HE2  PHE  15           HE2      PHE  15   6.483  -8.318  -2.253
  124    HZ   PHE  15           HZ       PHE  15   8.183  -8.293  -4.058
  125    H    THR  16           HN       THR  16   7.580  -1.054  -2.668
  126    HA   THR  16           HA       THR  16   9.578  -1.572  -4.568
  127    HB   THR  16           HB       THR  16   8.785   1.108  -3.381
  128    HG1  THR  16           HG1      THR  16   7.596  -0.258  -5.551
  129   1HG2  THR  16          HG21      THR  16  10.449   1.647  -4.889
  130   2HG2  THR  16          HG22      THR  16   9.067   1.594  -5.982
  131   3HG2  THR  16          HG23      THR  16  10.162   0.215  -5.879
  132    H    GLN  17           HN       GLN  17   9.895  -0.041  -1.372
  133    HA   GLN  17           HA       GLN  17  12.706   0.632  -1.699
  134   1HB   GLN  17          HB2       GLN  17  10.628   0.598   0.458
  135   2HB   GLN  17          HB1       GLN  17  12.320   0.729   0.940
  136   1HG   GLN  17          HG2       GLN  17  11.195   2.501  -1.222
  137   2HG   GLN  17          HG1       GLN  17  11.011   2.926   0.479
  138   1HE2  GLN  17          HE21      GLN  17  13.339   2.615  -2.148
  139   2HE2  GLN  17          HE22      GLN  17  14.653   3.285  -1.308
  140    H    ALA  18           HN       ALA  18  11.342  -1.506   0.810
  141    HA   ALA  18           HA       ALA  18  12.091  -3.606   1.604
  142   1HB   ALA  18          HB1       ALA  18  12.238  -3.574  -1.214
  143   2HB   ALA  18          HB2       ALA  18  12.229  -4.997  -0.173
  144   3HB   ALA  18          HB3       ALA  18  13.760  -4.279  -0.670
  145   1HN   NH2  19          1HN       NH2  19  14.226  -4.713   2.266
  146   2HN   NH2  19          2HN       NH2  19  15.613  -3.746   2.421
  Start of MODEL   20
    1   1H    SER   1          1H        SER   1 -15.783  -0.785  -2.256
    2   2H    SER   1          2H        SER   1 -16.570  -2.219  -2.717
    3   3H    SER   1          3H        SER   1 -15.202  -2.282  -1.711
    4    HA   SER   1           HA       SER   1 -17.912  -1.280  -1.023
    5   1HB   SER   1          HB2       SER   1 -16.679  -3.764  -0.966
    6   2HB   SER   1          HB1       SER   1 -16.449  -3.173   0.677
    7    HG   SER   1           HG       SER   1 -18.739  -2.692   0.650
    8    H    GLY   2           HN       GLY   2 -14.835  -2.030   0.653
    9   1HA   GLY   2          HA2       GLY   2 -15.294   0.235   2.477
   10   2HA   GLY   2          HA1       GLY   2 -13.987  -0.944   2.597
   11    H    THR   3           HN       THR   3 -11.995  -0.348   1.843
   12    HA   THR   3           HA       THR   3 -11.724   1.734  -0.229
   13    HB   THR   3           HB       THR   3 -10.097   2.736   1.787
   14    HG1  THR   3           HG1      THR   3 -11.839   2.909   3.469
   15   1HG2  THR   3          HG21      THR   3 -11.200   4.434   0.764
   16   2HG2  THR   3          HG22      THR   3 -12.404   4.208   2.032
   17   3HG2  THR   3          HG23      THR   3 -12.625   3.442   0.459
   18    H    LEU   4           HN       LEU   4  -9.443   0.897   2.352
   19    HA   LEU   4           HA       LEU   4  -7.403  -0.300   2.294
   20   1HB   LEU   4          HB2       LEU   4  -8.439  -1.425  -0.320
   21   2HB   LEU   4          HB1       LEU   4  -7.349  -2.189   0.834
   22    HG   LEU   4           HG       LEU   4 -10.271  -1.530   1.304
   23   1HD1  LEU   4          HD11      LEU   4  -9.034  -3.735   0.065
   24   2HD1  LEU   4          HD12      LEU   4 -10.701  -3.637   0.634
   25   3HD1  LEU   4          HD13      LEU   4  -9.445  -4.279   1.692
   26   1HD2  LEU   4          HD21      LEU   4  -8.102  -1.829   3.144
   27   2HD2  LEU   4          HD22      LEU   4  -9.133  -3.254   3.282
   28   3HD2  LEU   4          HD23      LEU   4  -9.817  -1.645   3.507
   29    H    SER   5           HN       SER   5  -8.258   2.116   0.185
   30    HA   SER   5           HA       SER   5  -6.339   2.040  -1.904
   31   1HB   SER   5          HB2       SER   5  -7.706   4.232  -0.334
   32   2HB   SER   5          HB1       SER   5  -6.633   4.597  -1.683
   33    HG   SER   5           HG       SER   5  -8.028   3.704  -3.052
   34    H    THR   6           HN       THR   6  -6.070   4.028   1.070
   35    HA   THR   6           HA       THR   6  -3.352   4.689   0.866
   36    HB   THR   6           HB       THR   6  -3.727   4.427   3.550
   37    HG1  THR   6           HG1      THR   6  -6.153   5.053   3.497
   38   1HG2  THR   6          HG21      THR   6  -5.241   6.559   2.069
   39   2HG2  THR   6          HG22      THR   6  -3.483   6.485   1.956
   40   3HG2  THR   6          HG23      THR   6  -4.256   6.706   3.525
   41    H    PHE   7           HN       PHE   7  -4.648   2.021   2.899
   42    HA   PHE   7           HA       PHE   7  -2.327   0.762   3.695
   43   1HB   PHE   7          HB2       PHE   7  -5.078  -0.049   2.958
   44   2HB   PHE   7          HB1       PHE   7  -3.904  -1.365   3.006
   45    HD1  PHE   7           HD1      PHE   7  -5.827   1.023   4.962
   46    HD2  PHE   7           HD2      PHE   7  -2.567  -1.771   5.091
   47    HE1  PHE   7           HE1      PHE   7  -5.932   1.016   7.440
   48    HE2  PHE   7           HE2      PHE   7  -2.671  -1.778   7.569
   49    HZ   PHE   7           HZ       PHE   7  -4.354  -0.385   8.743
   50    H    PHE   8           HN       PHE   8  -3.899   0.394   0.506
   51    HA   PHE   8           HA       PHE   8  -1.972  -1.467  -0.559
   52   1HB   PHE   8          HB2       PHE   8  -4.298   0.096  -1.390
   53   2HB   PHE   8          HB1       PHE   8  -3.090  -0.019  -2.671
   54    HD1  PHE   8           HD1      PHE   8  -3.956  -1.623  -4.170
   55    HD2  PHE   8           HD2      PHE   8  -3.895  -2.459   0.042
   56    HE1  PHE   8           HE1      PHE   8  -4.657  -3.959  -4.624
   57    HE2  PHE   8           HE2      PHE   8  -4.596  -4.794  -0.411
   58    HZ   PHE   8           HZ       PHE   8  -4.976  -5.544  -2.744
   59    H    ARG   9           HN       ARG   9  -2.169   2.072  -0.454
   60    HA   ARG   9           HA       ARG   9  -0.002   2.571  -2.306
   61   1HB   ARG   9          HB2       ARG   9  -1.966   4.020  -1.122
   62   2HB   ARG   9          HB1       ARG   9  -0.602   4.469  -0.096
   63   1HG   ARG   9          HG2       ARG   9   0.645   4.794  -2.392
   64   2HG   ARG   9          HG1       ARG   9  -0.993   4.939  -3.035
   65   1HD   ARG   9          HD2       ARG   9  -0.639   6.496  -0.579
   66   2HD   ARG   9          HD1       ARG   9   0.455   7.011  -1.879
   67    HE   ARG   9           HE       ARG   9  -2.489   6.677  -2.328
   68   1HH1  ARG   9          HH21      ARG   9  -0.546   7.199  -4.612
   69   2HH1  ARG   9          HH22      ARG   9  -0.711   8.912  -4.810
   70   1HH2  ARG   9          HH11      ARG   9  -2.255   9.383  -1.741
   71   2HH2  ARG   9          HH12      ARG   9  -1.678  10.149  -3.184
   72    H    LEU  10           HN       LEU  10  -0.206   2.381   1.256
   73    HA   LEU  10           HA       LEU  10   2.572   2.963   1.750
   74   1HB   LEU  10          HB2       LEU  10   0.191   2.495   3.171
   75   2HB   LEU  10          HB1       LEU  10   1.293   1.224   3.700
   76    HG   LEU  10           HG       LEU  10   2.886   3.515   3.617
   77   1HD1  LEU  10          HD11      LEU  10   0.115   4.262   3.940
   78   2HD1  LEU  10          HD12      LEU  10   1.540   5.300   3.887
   79   3HD1  LEU  10          HD13      LEU  10   1.005   4.614   5.422
   80   1HD2  LEU  10          HD21      LEU  10   2.012   1.533   5.457
   81   2HD2  LEU  10          HD22      LEU  10   1.823   3.092   6.258
   82   3HD2  LEU  10          HD23      LEU  10   3.395   2.614   5.619
   83    H    PHE  11           HN       PHE  11   0.758  -0.066   1.272
   84    HA   PHE  11           HA       PHE  11   2.943  -1.849   1.869
   85   1HB   PHE  11          HB2       PHE  11   0.199  -1.914   1.047
   86   2HB   PHE  11          HB1       PHE  11   1.121  -2.961  -0.033
   87    HD1  PHE  11           HD1      PHE  11   3.025  -4.384   1.282
   88    HD2  PHE  11           HD2      PHE  11  -0.632  -2.902   2.979
   89    HE1  PHE  11           HE1      PHE  11   3.150  -6.109   3.060
   90    HE2  PHE  11           HE2      PHE  11  -0.508  -4.627   4.756
   91    HZ   PHE  11           HZ       PHE  11   1.384  -6.230   4.797
   92    H    ASN  12           HN       ASN  12   1.652  -0.569  -1.215
   93    HA   ASN  12           HA       ASN  12   3.504  -1.901  -2.941
   94   1HB   ASN  12          HB2       ASN  12   1.303  -0.242  -3.137
   95   2HB   ASN  12          HB1       ASN  12   2.605   0.787  -3.736
   96   1HD2  ASN  12          HD21      ASN  12   0.308  -1.102  -4.979
   97   2HD2  ASN  12          HD22      ASN  12   1.133  -1.819  -6.279
   98    H    ARG  13           HN       ARG  13   3.560   1.442  -1.638
   99    HA   ARG  13           HA       ARG  13   6.062   2.226  -2.726
  100   1HB   ARG  13          HB2       ARG  13   4.101   3.110  -0.801
  101   2HB   ARG  13          HB1       ARG  13   5.721   3.406  -0.168
  102   1HG   ARG  13          HG2       ARG  13   6.335   4.718  -2.058
  103   2HG   ARG  13          HG1       ARG  13   4.938   4.170  -2.986
  104   1HD   ARG  13          HD2       ARG  13   4.207   5.441  -0.430
  105   2HD   ARG  13          HD1       ARG  13   5.023   6.531  -1.567
  106    HE   ARG  13           HE       ARG  13   2.686   4.849  -2.397
  107   1HH1  ARG  13          HH21      ARG  13   3.525   7.956  -1.481
  108   2HH1  ARG  13          HH22      ARG  13   2.887   8.738  -2.889
  109   1HH2  ARG  13          HH11      ARG  13   2.270   5.776  -4.582
  110   2HH2  ARG  13          HH12      ARG  13   2.177   7.504  -4.644
  111    H    SER  14           HN       SER  14   5.346   0.838   0.503
  112    HA   SER  14           HA       SER  14   8.032   0.714   1.441
  113   1HB   SER  14          HB2       SER  14   7.043  -1.003   2.981
  114   2HB   SER  14          HB1       SER  14   6.061   0.454   2.856
  115    HG   SER  14           HG       SER  14   4.524  -0.794   2.184
  116    H    PHE  15           HN       PHE  15   6.144  -1.524  -0.564
  117    HA   PHE  15           HA       PHE  15   7.984  -3.731  -0.489
  118   1HB   PHE  15          HB2       PHE  15   5.596  -2.827  -1.938
  119   2HB   PHE  15          HB1       PHE  15   6.667  -3.816  -2.929
  120    HD1  PHE  15           HD1      PHE  15   5.146  -5.729  -3.005
  121    HD2  PHE  15           HD2      PHE  15   6.541  -4.144   0.735
  122    HE1  PHE  15           HE1      PHE  15   4.344  -7.767  -1.843
  123    HE2  PHE  15           HE2      PHE  15   5.738  -6.182   1.899
  124    HZ   PHE  15           HZ       PHE  15   4.639  -7.994   0.609
  125    H    THR  16           HN       THR  16   7.519  -1.138  -2.925
  126    HA   THR  16           HA       THR  16   9.658  -1.895  -4.649
  127    HB   THR  16           HB       THR  16   9.463   0.814  -4.921
  128    HG1  THR  16           HG1      THR  16   8.102   0.921  -3.084
  129   1HG2  THR  16          HG21      THR  16   8.647  -0.004  -6.848
  130   2HG2  THR  16          HG22      THR  16   7.087  -0.225  -6.052
  131   3HG2  THR  16          HG23      THR  16   8.263  -1.539  -6.068
  132    H    GLN  17           HN       GLN  17   9.605   0.096  -1.713
  133    HA   GLN  17           HA       GLN  17  12.500   0.708  -2.006
  134   1HB   GLN  17          HB2       GLN  17  10.566   2.307  -1.309
  135   2HB   GLN  17          HB1       GLN  17  10.666   1.501   0.256
  136   1HG   GLN  17          HG2       GLN  17  13.327   2.067  -0.446
  137   2HG   GLN  17          HG1       GLN  17  12.419   3.518  -0.871
  138   1HE2  GLN  17          HE21      GLN  17  14.303   2.973   1.475
  139   2HE2  GLN  17          HE22      GLN  17  13.393   3.375   2.851
  140    H    ALA  18           HN       ALA  18  10.510  -1.658  -0.589
  141    HA   ALA  18           HA       ALA  18  11.040  -3.451   0.863
  142   1HB   ALA  18          HB1       ALA  18  13.419  -2.562  -0.406
  143   2HB   ALA  18          HB2       ALA  18  13.122  -4.140   0.324
  144   3HB   ALA  18          HB3       ALA  18  13.825  -2.841   1.287
  145   1HN   NH2  19          1HN       NH2  19   9.856  -2.494   2.698
  146   2HN   NH2  19          2HN       NH2  19  10.670  -1.695   3.955
  Start of MODEL   21
    1   1H    SER   1          1H        SER   1 -13.556   1.155   5.877
    2   2H    SER   1          2H        SER   1 -14.802   1.333   7.019
    3   3H    SER   1          3H        SER   1 -15.087   1.693   5.384
    4    HA   SER   1           HA       SER   1 -14.247  -1.029   6.162
    5   1HB   SER   1          HB2       SER   1 -17.114  -0.092   6.060
    6   2HB   SER   1          HB1       SER   1 -16.471  -1.569   6.772
    7    HG   SER   1           HG       SER   1 -16.081  -0.506   8.540
    8    H    GLY   2           HN       GLY   2 -13.513   0.211   3.802
    9   1HA   GLY   2          HA2       GLY   2 -14.318  -1.427   1.750
   10   2HA   GLY   2          HA1       GLY   2 -15.559  -0.172   1.747
   11    H    THR   3           HN       THR   3 -11.996  -0.194   2.151
   12    HA   THR   3           HA       THR   3 -11.787   1.673  -0.163
   13    HB   THR   3           HB       THR   3 -10.081   2.775   1.704
   14    HG1  THR   3           HG1      THR   3 -12.487   2.190   3.056
   15   1HG2  THR   3          HG21      THR   3 -12.579   3.414   0.405
   16   2HG2  THR   3          HG22      THR   3 -11.276   4.497   0.895
   17   3HG2  THR   3          HG23      THR   3 -12.555   4.082   2.037
   18    H    LEU   4           HN       LEU   4  -9.410   0.918   2.359
   19    HA   LEU   4           HA       LEU   4  -7.428  -0.385   2.276
   20   1HB   LEU   4          HB2       LEU   4  -9.326  -1.652   0.629
   21   2HB   LEU   4          HB1       LEU   4  -7.857  -1.569  -0.344
   22    HG   LEU   4           HG       LEU   4  -6.581  -2.540   1.567
   23   1HD1  LEU   4          HD11      LEU   4  -8.003  -1.830   3.407
   24   2HD1  LEU   4          HD12      LEU   4  -7.933  -3.593   3.399
   25   3HD1  LEU   4          HD13      LEU   4  -9.356  -2.764   2.769
   26   1HD2  LEU   4          HD21      LEU   4  -8.485  -4.666   1.411
   27   2HD2  LEU   4          HD22      LEU   4  -6.979  -4.490   0.510
   28   3HD2  LEU   4          HD23      LEU   4  -8.479  -3.832  -0.143
   29    H    SER   5           HN       SER   5  -8.292   2.060   0.166
   30    HA   SER   5           HA       SER   5  -6.337   2.051  -1.878
   31   1HB   SER   5          HB2       SER   5  -6.767   4.472  -1.893
   32   2HB   SER   5          HB1       SER   5  -8.272   3.601  -1.618
   33    HG   SER   5           HG       SER   5  -8.320   4.297   0.399
   34    H    THR   6           HN       THR   6  -6.095   4.038   1.095
   35    HA   THR   6           HA       THR   6  -3.389   4.696   0.953
   36    HB   THR   6           HB       THR   6  -3.786   4.349   3.629
   37    HG1  THR   6           HG1      THR   6  -5.815   4.024   4.052
   38   1HG2  THR   6          HG21      THR   6  -5.241   6.517   2.122
   39   2HG2  THR   6          HG22      THR   6  -3.480   6.459   2.171
   40   3HG2  THR   6          HG23      THR   6  -4.398   6.631   3.666
   41    H    PHE   7           HN       PHE   7  -4.668   1.965   2.908
   42    HA   PHE   7           HA       PHE   7  -2.340   0.708   3.686
   43   1HB   PHE   7          HB2       PHE   7  -4.978  -0.336   2.649
   44   2HB   PHE   7          HB1       PHE   7  -3.745  -1.437   3.262
   45    HD1  PHE   7           HD1      PHE   7  -6.498   0.607   4.153
   46    HD2  PHE   7           HD2      PHE   7  -2.698  -0.782   5.597
   47    HE1  PHE   7           HE1      PHE   7  -7.196   1.113   6.479
   48    HE2  PHE   7           HE2      PHE   7  -3.396  -0.276   7.922
   49    HZ   PHE   7           HZ       PHE   7  -5.645   0.673   8.363
   50    H    PHE   8           HN       PHE   8  -3.880   0.429   0.475
   51    HA   PHE   8           HA       PHE   8  -1.931  -1.398  -0.621
   52   1HB   PHE   8          HB2       PHE   8  -4.381  -0.293  -1.313
   53   2HB   PHE   8          HB1       PHE   8  -3.275   0.440  -2.475
   54    HD1  PHE   8           HD1      PHE   8  -2.665  -0.757  -4.390
   55    HD2  PHE   8           HD2      PHE   8  -4.096  -2.883  -0.941
   56    HE1  PHE   8           HE1      PHE   8  -2.604  -2.878  -5.672
   57    HE2  PHE   8           HE2      PHE   8  -4.034  -5.005  -2.225
   58    HZ   PHE   8           HZ       PHE   8  -3.288  -5.002  -4.589
   59    H    ARG   9           HN       ARG   9  -2.165   2.134  -0.427
   60    HA   ARG   9           HA       ARG   9  -0.044   2.734  -2.286
   61   1HB   ARG   9          HB2       ARG   9  -1.955   4.146  -1.098
   62   2HB   ARG   9          HB1       ARG   9  -0.689   4.439   0.096
   63   1HG   ARG   9          HG2       ARG   9  -0.175   6.166  -1.320
   64   2HG   ARG   9          HG1       ARG   9   0.720   4.898  -2.159
   65   1HD   ARG   9          HD2       ARG   9  -0.881   4.698  -3.850
   66   2HD   ARG   9          HD1       ARG   9  -2.184   5.331  -2.824
   67    HE   ARG   9           HE       ARG   9  -0.505   6.950  -4.462
   68   1HH1  ARG   9          HH11      ARG   9  -2.935   7.290  -2.322
   69   2HH1  ARG   9          HH12      ARG   9  -2.365   8.738  -1.560
   70   1HH2  ARG   9          HH21      ARG   9   0.776   8.583  -3.018
   71   2HH2  ARG   9          HH22      ARG   9  -0.264   9.469  -1.955
   72    H    LEU  10           HN       LEU  10  -0.102   2.534   1.292
   73    HA   LEU  10           HA       LEU  10   2.723   2.977   1.633
   74   1HB   LEU  10          HB2       LEU  10   0.837   3.224   3.313
   75   2HB   LEU  10          HB1       LEU  10   0.799   1.464   3.424
   76    HG   LEU  10           HG       LEU  10   3.417   1.797   3.808
   77   1HD1  LEU  10          HD11      LEU  10   2.140   4.444   4.435
   78   2HD1  LEU  10          HD12      LEU  10   3.693   4.112   3.669
   79   3HD1  LEU  10          HD13      LEU  10   3.500   3.883   5.407
   80   1HD2  LEU  10          HD21      LEU  10   2.940   1.127   5.935
   81   2HD2  LEU  10          HD22      LEU  10   1.270   1.115   5.368
   82   3HD2  LEU  10          HD23      LEU  10   1.895   2.515   6.237
   83    H    PHE  11           HN       PHE  11   0.741   0.047   1.255
   84    HA   PHE  11           HA       PHE  11   2.787  -1.871   1.854
   85   1HB   PHE  11          HB2       PHE  11   0.199  -2.047   1.551
   86   2HB   PHE  11          HB1       PHE  11   0.576  -2.264  -0.159
   87    HD1  PHE  11           HD1      PHE  11   1.992  -4.178  -0.900
   88    HD2  PHE  11           HD2      PHE  11   0.664  -3.768   3.164
   89    HE1  PHE  11           HE1      PHE  11   2.550  -6.558  -0.477
   90    HE2  PHE  11           HE2      PHE  11   1.222  -6.147   3.587
   91    HZ   PHE  11           HZ       PHE  11   2.165  -7.541   1.766
   92    H    ASN  12           HN       ASN  12   1.621  -0.622  -1.303
   93    HA   ASN  12           HA       ASN  12   3.547  -2.000  -2.910
   94   1HB   ASN  12          HB2       ASN  12   1.360  -0.805  -3.531
   95   2HB   ASN  12          HB1       ASN  12   2.290   0.693  -3.479
   96   1HD2  ASN  12          HD21      ASN  12   1.517  -2.049  -5.435
   97   2HD2  ASN  12          HD22      ASN  12   2.613  -1.733  -6.692
   98    H    ARG  13           HN       ARG  13   3.519   1.397  -1.749
   99    HA   ARG  13           HA       ARG  13   6.054   2.161  -2.770
  100   1HB   ARG  13          HB2       ARG  13   3.984   3.248  -1.281
  101   2HB   ARG  13          HB1       ARG  13   5.333   3.264  -0.144
  102   1HG   ARG  13          HG2       ARG  13   5.332   4.442  -2.939
  103   2HG   ARG  13          HG1       ARG  13   5.324   5.347  -1.424
  104   1HD   ARG  13          HD2       ARG  13   7.502   3.371  -1.580
  105   2HD   ARG  13          HD1       ARG  13   7.609   4.652  -2.804
  106    HE   ARG  13           HE       ARG  13   7.250   6.270  -0.846
  107   1HH1  ARG  13          HH21      ARG  13   7.112   3.573   0.852
  108   2HH1  ARG  13          HH22      ARG  13   8.598   3.741   1.727
  109   1HH2  ARG  13          HH11      ARG  13   9.801   6.298  -0.283
  110   2HH2  ARG  13          HH12      ARG  13  10.120   5.283   1.084
  111    H    SER  14           HN       SER  14   5.181   0.579   0.301
  112    HA   SER  14           HA       SER  14   7.783   0.667   1.505
  113   1HB   SER  14          HB2       SER  14   5.255  -0.922   1.788
  114   2HB   SER  14          HB1       SER  14   6.687  -1.451   2.665
  115    HG   SER  14           HG       SER  14   5.366   0.054   3.835
  116    H    PHE  15           HN       PHE  15   6.156  -1.887  -0.412
  117    HA   PHE  15           HA       PHE  15   8.299  -3.775  -0.357
  118   1HB   PHE  15          HB2       PHE  15   5.745  -3.728  -1.217
  119   2HB   PHE  15          HB1       PHE  15   6.560  -3.515  -2.766
  120    HD1  PHE  15           HD1      PHE  15   5.152  -5.947  -0.842
  121    HD2  PHE  15           HD2      PHE  15   8.905  -5.076  -2.742
  122    HE1  PHE  15           HE1      PHE  15   5.688  -8.369  -0.895
  123    HE2  PHE  15           HE2      PHE  15   9.440  -7.497  -2.795
  124    HZ   PHE  15           HZ       PHE  15   7.831  -9.143  -1.871
  125    H    THR  16           HN       THR  16   7.564  -1.102  -2.595
  126    HA   THR  16           HA       THR  16   9.804  -1.710  -4.371
  127    HB   THR  16           HB       THR  16   9.091   0.450  -5.389
  128    HG1  THR  16           HG1      THR  16   7.117   0.542  -3.380
  129   1HG2  THR  16          HG21      THR  16   6.895  -0.278  -6.063
  130   2HG2  THR  16          HG22      THR  16   6.703  -1.231  -4.592
  131   3HG2  THR  16          HG23      THR  16   7.874  -1.723  -5.815
  132    H    GLN  17           HN       GLN  17   9.285   0.262  -1.514
  133    HA   GLN  17           HA       GLN  17  11.506   2.054  -1.791
  134   1HB   GLN  17          HB2       GLN  17   9.787   2.514  -0.204
  135   2HB   GLN  17          HB1       GLN  17   9.926   0.912   0.522
  136   1HG   GLN  17          HG2       GLN  17  12.448   2.412   0.556
  137   2HG   GLN  17          HG1       GLN  17  11.159   3.201   1.467
  138   1HE2  GLN  17          HE21      GLN  17  13.591   0.895   1.763
  139   2HE2  GLN  17          HE22      GLN  17  12.977   0.035   3.090
  140    H    ALA  18           HN       ALA  18  11.209  -1.105  -0.132
  141    HA   ALA  18           HA       ALA  18  14.016  -1.164   0.652
  142   1HB   ALA  18          HB1       ALA  18  11.759  -3.185   0.558
  143   2HB   ALA  18          HB2       ALA  18  12.340  -2.297   1.968
  144   3HB   ALA  18          HB3       ALA  18  13.346  -3.547   1.237
  145   1HN   NH2  19          1HN       NH2  19  14.873  -3.734  -0.075
  146   2HN   NH2  19          2HN       NH2  19  15.052  -3.840  -1.760
  Start of MODEL   22
    1   1H    SER   1          1H        SER   1 -13.955   7.733   3.382
    2   2H    SER   1          2H        SER   1 -13.435   7.087   4.866
    3   3H    SER   1          3H        SER   1 -15.093   7.296   4.561
    4    HA   SER   1           HA       SER   1 -14.321   4.943   4.348
    5   1HB   SER   1          HB2       SER   1 -16.369   5.850   3.333
    6   2HB   SER   1          HB1       SER   1 -15.443   6.440   1.956
    7    HG   SER   1           HG       SER   1 -16.327   3.905   2.562
    8    H    GLY   2           HN       GLY   2 -11.798   6.247   4.025
    9   1HA   GLY   2          HA2       GLY   2 -10.865   5.006   1.466
   10   2HA   GLY   2          HA1       GLY   2 -10.179   6.511   2.084
   11    H    THR   3           HN       THR   3 -10.215   3.043   2.416
   12    HA   THR   3           HA       THR   3  -7.950   3.270   4.371
   13    HB   THR   3           HB       THR   3  -9.998   1.047   4.306
   14    HG1  THR   3           HG1      THR   3 -10.680   2.437   6.265
   15   1HG2  THR   3          HG21      THR   3  -7.625   1.651   5.820
   16   2HG2  THR   3          HG22      THR   3  -8.653   0.220   5.905
   17   3HG2  THR   3          HG23      THR   3  -9.022   1.630   6.897
   18    H    LEU   4           HN       LEU   4  -9.550   0.705   2.440
   19    HA   LEU   4           HA       LEU   4  -7.380  -0.955   1.952
   20   1HB   LEU   4          HB2       LEU   4  -9.811  -0.115   0.406
   21   2HB   LEU   4          HB1       LEU   4  -8.646  -1.190  -0.369
   22    HG   LEU   4           HG       LEU   4  -8.851  -2.797   1.448
   23   1HD1  LEU   4          HD11      LEU   4 -10.739  -0.755   2.659
   24   2HD1  LEU   4          HD12      LEU   4  -9.167  -1.229   3.299
   25   3HD1  LEU   4          HD13      LEU   4 -10.496  -2.389   3.276
   26   1HD2  LEU   4          HD21      LEU   4 -11.646  -2.693   1.297
   27   2HD2  LEU   4          HD22      LEU   4 -10.572  -3.555   0.195
   28   3HD2  LEU   4          HD23      LEU   4 -11.095  -1.913  -0.186
   29    H    SER   5           HN       SER   5  -8.324   1.864  -0.057
   30    HA   SER   5           HA       SER   5  -6.271   1.767  -1.974
   31   1HB   SER   5          HB2       SER   5  -8.019   3.812  -0.713
   32   2HB   SER   5          HB1       SER   5  -6.623   4.431  -1.591
   33    HG   SER   5           HG       SER   5  -8.130   2.405  -2.779
   34    H    THR   6           HN       THR   6  -6.208   3.809   0.981
   35    HA   THR   6           HA       THR   6  -3.533   4.636   0.864
   36    HB   THR   6           HB       THR   6  -3.994   4.310   3.541
   37    HG1  THR   6           HG1      THR   6  -6.399   4.810   3.487
   38   1HG2  THR   6          HG21      THR   6  -3.869   6.531   3.196
   39   2HG2  THR   6          HG22      THR   6  -5.589   6.499   2.810
   40   3HG2  THR   6          HG23      THR   6  -4.394   6.352   1.522
   41    H    PHE   7           HN       PHE   7  -4.697   1.912   2.899
   42    HA   PHE   7           HA       PHE   7  -2.317   0.796   3.725
   43   1HB   PHE   7          HB2       PHE   7  -5.019  -0.162   3.005
   44   2HB   PHE   7          HB1       PHE   7  -3.784  -1.421   3.027
   45    HD1  PHE   7           HD1      PHE   7  -4.529  -2.565   5.019
   46    HD2  PHE   7           HD2      PHE   7  -3.665   1.642   5.100
   47    HE1  PHE   7           HE1      PHE   7  -4.601  -2.597   7.499
   48    HE2  PHE   7           HE2      PHE   7  -3.737   1.610   7.578
   49    HZ   PHE   7           HZ       PHE   7  -4.204  -0.510   8.778
   50    H    PHE   8           HN       PHE   8  -3.819   0.363   0.519
   51    HA   PHE   8           HA       PHE   8  -1.801  -1.430  -0.510
   52   1HB   PHE   8          HB2       PHE   8  -4.006  -1.305  -1.485
   53   2HB   PHE   8          HB1       PHE   8  -3.845   0.431  -1.753
   54    HD1  PHE   8           HD1      PHE   8  -2.134  -2.797  -2.608
   55    HD2  PHE   8           HD2      PHE   8  -3.138   1.193  -3.843
   56    HE1  PHE   8           HE1      PHE   8  -1.123  -3.230  -4.832
   57    HE2  PHE   8           HE2      PHE   8  -2.128   0.759  -6.066
   58    HZ   PHE   8           HZ       PHE   8  -1.121  -1.453  -6.561
   59    H    ARG   9           HN       ARG   9  -2.159   2.093  -0.414
   60    HA   ARG   9           HA       ARG   9  -0.047   2.722  -2.271
   61   1HB   ARG   9          HB2       ARG   9  -1.868   4.241  -1.497
   62   2HB   ARG   9          HB1       ARG   9  -1.139   4.263   0.108
   63   1HG   ARG   9          HG2       ARG   9  -0.525   6.225  -1.397
   64   2HG   ARG   9          HG1       ARG   9   0.838   5.344  -0.706
   65   1HD   ARG   9          HD2       ARG   9   1.240   4.167  -2.767
   66   2HD   ARG   9          HD1       ARG   9  -0.287   4.750  -3.462
   67    HE   ARG   9           HE       ARG   9   2.140   6.400  -3.007
   68   1HH1  ARG   9          HH11      ARG   9   0.618   6.097  -5.632
   69   2HH1  ARG   9          HH12      ARG   9  -0.217   7.613  -5.711
   70   1HH2  ARG   9          HH21      ARG   9   0.295   8.369  -2.366
   71   2HH2  ARG   9          HH22      ARG   9  -0.399   8.900  -3.861
   72    H    LEU  10           HN       LEU  10  -0.123   2.587   1.309
   73    HA   LEU  10           HA       LEU  10   2.688   3.115   1.658
   74   1HB   LEU  10          HB2       LEU  10   0.383   2.835   3.204
   75   2HB   LEU  10          HB1       LEU  10   1.394   1.481   3.712
   76    HG   LEU  10           HG       LEU  10   1.922   3.418   5.090
   77   1HD1  LEU  10          HD11      LEU  10   3.853   2.112   4.693
   78   2HD1  LEU  10          HD12      LEU  10   4.368   3.754   4.310
   79   3HD1  LEU  10          HD13      LEU  10   3.965   2.631   3.012
   80   1HD2  LEU  10          HD21      LEU  10   2.632   4.840   2.506
   81   2HD2  LEU  10          HD22      LEU  10   2.662   5.518   4.133
   82   3HD2  LEU  10          HD23      LEU  10   1.123   5.096   3.382
   83    H    PHE  11           HN       PHE  11   0.782   0.142   1.268
   84    HA   PHE  11           HA       PHE  11   2.899  -1.706   1.916
   85   1HB   PHE  11          HB2       PHE  11   0.275  -1.914   1.625
   86   2HB   PHE  11          HB1       PHE  11   0.700  -2.298  -0.043
   87    HD1  PHE  11           HD1      PHE  11   2.418  -4.155  -0.458
   88    HD2  PHE  11           HD2      PHE  11   0.491  -3.536   3.330
   89    HE1  PHE  11           HE1      PHE  11   3.015  -6.464   0.223
   90    HE2  PHE  11           HE2      PHE  11   1.088  -5.845   4.012
   91    HZ   PHE  11           HZ       PHE  11   2.349  -7.308   2.457
   92    H    ASN  12           HN       ASN  12   1.674  -0.431  -1.198
   93    HA   ASN  12           HA       ASN  12   3.525  -1.850  -2.870
   94   1HB   ASN  12          HB2       ASN  12   1.457  -0.826  -3.675
   95   2HB   ASN  12          HB1       ASN  12   2.029   0.772  -3.194
   96   1HD2  ASN  12          HD21      ASN  12   1.747   1.329  -5.570
   97   2HD2  ASN  12          HD22      ASN  12   2.987   0.915  -6.652
   98    H    ARG  13           HN       ARG  13   3.604   1.464  -1.520
   99    HA   ARG  13           HA       ARG  13   6.092   2.267  -2.657
  100   1HB   ARG  13          HB2       ARG  13   4.317   3.654  -1.497
  101   2HB   ARG  13          HB1       ARG  13   4.923   3.029   0.036
  102   1HG   ARG  13          HG2       ARG  13   6.398   4.738   0.009
  103   2HG   ARG  13          HG1       ARG  13   7.222   3.874  -1.291
  104   1HD   ARG  13          HD2       ARG  13   4.852   5.520  -2.064
  105   2HD   ARG  13          HD1       ARG  13   6.341   6.385  -1.634
  106    HE   ARG  13           HE       ARG  13   6.075   4.419  -3.851
  107   1HH1  ARG  13          HH21      ARG  13   8.740   4.196  -2.497
  108   2HH1  ARG  13          HH22      ARG  13   9.694   5.336  -3.385
  109   1HH2  ARG  13          HH11      ARG  13   6.956   6.944  -4.780
  110   2HH2  ARG  13          HH12      ARG  13   8.684   6.892  -4.677
  111    H    SER  14           HN       SER  14   5.354   0.647   0.440
  112    HA   SER  14           HA       SER  14   8.090   0.582   1.373
  113   1HB   SER  14          HB2       SER  14   7.114  -1.018   3.005
  114   2HB   SER  14          HB1       SER  14   6.096   0.406   2.812
  115    HG   SER  14           HG       SER  14   5.125  -1.827   2.693
  116    H    PHE  15           HN       PHE  15   6.117  -1.564  -0.627
  117    HA   PHE  15           HA       PHE  15   7.893  -3.844  -0.529
  118   1HB   PHE  15          HB2       PHE  15   5.362  -3.214  -1.468
  119   2HB   PHE  15          HB1       PHE  15   6.281  -3.463  -2.954
  120    HD1  PHE  15           HD1      PHE  15   6.881  -5.637  -3.668
  121    HD2  PHE  15           HD2      PHE  15   5.463  -5.019   0.339
  122    HE1  PHE  15           HE1      PHE  15   6.779  -8.092  -3.326
  123    HE2  PHE  15           HE2      PHE  15   5.362  -7.472   0.682
  124    HZ   PHE  15           HZ       PHE  15   6.019  -9.009  -1.150
  125    H    THR  16           HN       THR  16   7.503  -1.129  -2.819
  126    HA   THR  16           HA       THR  16   9.187  -1.804  -4.899
  127    HB   THR  16           HB       THR  16   9.419   0.867  -3.518
  128    HG1  THR  16           HG1      THR  16   7.312   0.759  -3.405
  129   1HG2  THR  16          HG21      THR  16  10.367   1.309  -5.515
  130   2HG2  THR  16          HG22      THR  16   8.757   1.144  -6.215
  131   3HG2  THR  16          HG23      THR  16   9.849  -0.241  -6.177
  132    H    GLN  17           HN       GLN  17  10.120  -1.126  -1.581
  133    HA   GLN  17           HA       GLN  17  13.010  -1.317  -2.346
  134   1HB   GLN  17          HB2       GLN  17  11.634  -0.315   0.170
  135   2HB   GLN  17          HB1       GLN  17  13.364  -0.217  -0.163
  136   1HG   GLN  17          HG2       GLN  17  12.842   1.141  -2.201
  137   2HG   GLN  17          HG1       GLN  17  11.145   1.138  -1.722
  138   1HE2  GLN  17          HE21      GLN  17  10.934   3.365  -1.155
  139   2HE2  GLN  17          HE22      GLN  17  11.822   4.092   0.096
  140    H    ALA  18           HN       ALA  18  11.138  -2.136   0.596
  141    HA   ALA  18           HA       ALA  18  11.640  -4.985   0.401
  142   1HB   ALA  18          HB1       ALA  18  13.360  -3.334   2.280
  143   2HB   ALA  18          HB2       ALA  18  13.929  -4.088   0.791
  144   3HB   ALA  18          HB3       ALA  18  13.384  -5.091   2.135
  145   1HN   NH2  19          1HN       NH2  19  11.946  -5.163   3.422
  146   2HN   NH2  19          2HN       NH2  19  10.429  -4.731   4.052