*HEADER    SIGNALING PROTEIN                       16-AUG-06   2I2J              
*TITLE     NMR STRUCTURE OF UA159SP IN TFE                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SIGNALING PEPTIDE UA159SP;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: COMPETENCE STIMULATING PEPTIDE;                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OF THIS PEPTIDE CAN BE FOUND             
*SOURCE   4 IN STREPTOCOCCUS MUTANS.                                             
*KEYWDS    HELIX                                                                 
*EXPDTA    NMR, 34 STRUCTURES                                                    
*AUTHOR    R.T.SYVITSKI, D.L.JAKEMAN, Y.LI                                       
*REVDAT   1   17-OCT-06 2I2J    0                                                


! intra-residue NOE's for UA159sp
assign ( resid    4 and name   HA )( resid    4 and name   HG ) 3.00 0.60  0.75 
assign ( resid    4 and name   HA )( resid    4 and name HD1# ) 3.00 0.60  0.75 
assign ( resid    4 and name   HA )( resid    4 and name HD2# ) 3.50 0.60  0.75 
assign ( resid    4 and name  HB# )( resid    4 and name HD1# ) 5.00 0.75  0.85 
assign ( resid    4 and name  HB# )( resid    4 and name HD2# ) 5.00 0.75  0.85 
assign ( resid    4 and name   HG )( resid    4 and name HD1# ) 3.25 0.60  0.75 
assign ( resid    4 and name HD2# )( resid    4 and name   HG ) 3.50 0.60  0.75 
assign ( resid    6 and name   HA )( resid    6 and name   HN ) 3.50 0.60  0.75 
assign ( resid    6 and name   HB )( resid    6 and name   HN ) 3.00 0.60  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 HG2# ) 3.00 0.60  0.75 
assign ( resid    6 and name   HB )( resid    6 and name HG2# ) 3.00 0.60  0.75 
assign ( resid    7 and name   HA )( resid    7 and name   HN ) 3.00 0.60  0.75 
assign ( resid    7 and name  HB# )( resid    7 and name   HN ) 3.00 0.60  0.75 
assign ( resid    7 and name  HD# )( resid    7 and name   HN ) 4.00 0.75  0.85 
assign ( resid    7 and name   HA )( resid    7 and name  HB# ) 3.50 0.60  0.75 
assign ( resid    7 and name  HD# )( resid    7 and name   HA ) 5.00 0.75  0.85 
assign ( resid    7 and name   HA )( resid    7 and name  HE# ) 3.00 0.60  0.75 
assign ( resid    7 and name  HD# )( resid    7 and name  HB# ) 3.50 0.60  0.75 
assign ( resid    7 and name  HB# )( resid    7 and name  HE# ) 4.00 0.75  0.85 
assign ( resid    7 and name  HD# )( resid    7 and name  HE# ) 1.70 0.00  0.50 
assign ( resid    8 and name   HA )( resid    8 and name   HN ) 3.00 0.60  0.75 
assign ( resid    8 and name  HB# )( resid    8 and name   HN ) 2.50 0.50  0.75 
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# ) 3.50 0.60  0.75 
assign ( resid    8 and name   HA )( resid    8 and name  HD# ) 2.50 0.50  0.75 
assign ( resid    8 and name   HA )( resid    8 and name  HE# ) 4.00 0.75  0.85 
assign ( resid    8 and name  HD# )( resid    8 and name  HB# ) 4.00 0.75  0.85 
assign ( resid    8 and name  HB# )( resid    8 and name  HE# ) 4.00 0.75  0.85 
assign ( resid    8 and name  HD# )( resid    8 and name  HE# ) 2.10 0.25  0.62 
assign ( resid    9 and name   HA )( resid    9 and name   HN ) 3.50 0.60  0.75 
assign ( resid    9 and name  HB1 )( resid    9 and name   HN ) 4.00 0.75  0.85 
assign ( resid    9 and name  HB2 )( resid    9 and name   HN ) 3.50 0.60  0.75 
assign ( resid    9 and name  HG# )( resid    9 and name   HN ) 4.00 0.75  0.85 
assign ( resid    9 and name   HN )( resid    9 and name  HD# ) 5.00 0.75  0.85 
assign ( resid    9 and name   HA )( resid    9 and name  HB1 ) 3.50 0.60  0.75 
assign ( resid    9 and name   HA )( resid    9 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid    9 and name   HA )( resid    9 and name  HG# ) 3.50 0.60  0.75 
assign ( resid    9 and name   HA )( resid    9 and name  HD# ) 5.00 0.75  0.85 
assign ( resid    9 and name  HB2 )( resid    9 and name  HB1 ) 5.00 0.75  0.85 
assign ( resid    9 and name  HB1 )( resid    9 and name  HG# ) 3.00 0.60  0.75 
assign ( resid    9 and name  HD# )( resid    9 and name  HB1 ) 5.00 0.75  0.85 
assign ( resid    9 and name  HB2 )( resid    9 and name  HG# ) 5.00 0.75  0.85 
assign ( resid    9 and name  HD# )( resid    9 and name  HB2 ) 4.00 0.75  0.85 
assign ( resid    9 and name  HD# )( resid    9 and name  HG# ) 3.50 0.60  0.75 
assign ( resid   10 and name   HA )( resid   10 and name   HN ) 3.00 0.60  0.75 
assign ( resid   10 and name  HB1 )( resid   10 and name   HN ) 4.00 0.75  0.85 
assign ( resid   10 and name  HB2 )( resid   10 and name   HN ) 5.00 0.75  0.85 
assign ( resid   10 and name   HN )( resid   10 and name   HG ) 5.00 0.75  0.85 
assign ( resid   10 and name   HN )( resid   10 and name HD## ) 5.00 0.75  0.85 
assign ( resid   10 and name   HA )( resid   10 and name  HB1 ) 5.00 0.75  0.85 
assign ( resid   10 and name   HA )( resid   10 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid   10 and name   HA )( resid   10 and name HD## ) 3.00 0.60  0.75 
assign ( resid   10 and name   HG )( resid   10 and name  HB1 ) 5.00 0.75  0.85 
assign ( resid   10 and name  HB1 )( resid   10 and name HD## ) 3.25 0.60  0.75 
assign ( resid   10 and name   HG )( resid   10 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid   10 and name  HB2 )( resid   10 and name HD## ) 5.00 0.75  0.85 
assign ( resid   10 and name   HG )( resid   10 and name HD## ) 5.00 0.75  0.85 
assign ( resid   11 and name   HA )( resid   11 and name   HN ) 3.00 0.60  0.75 
assign ( resid   11 and name  HB1 )( resid   11 and name   HN ) 3.50 0.60  0.75 
assign ( resid   11 and name  HB2 )( resid   11 and name   HN ) 3.50 0.60  0.75 
assign ( resid   11 and name   HN )( resid   11 and name  HD# ) 5.00 0.75  0.85 
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 ) 4.00 0.75  0.85 
assign ( resid   11 and name   HA )( resid   11 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid   11 and name   HA )( resid   11 and name  HD# ) 3.00 0.60  0.75 
assign ( resid   11 and name   HA )( resid   11 and name  HE# ) 3.50 0.60  0.75 
assign ( resid   11 and name  HB1 )( resid   11 and name  HB2 ) 4.00 0.75  0.85 
assign ( resid   11 and name  HB1 )( resid   11 and name  HD# ) 3.50 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# ) 3.50 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# ) 1.85 0.15  0.50 
assign ( resid   12 and name   HA )( resid   12 and name   HN ) 3.00 0.60  0.75 
assign ( resid   12 and name  HB1 )( resid   12 and name   HN ) 3.50 0.60  0.75 
assign ( resid   12 and name  HB2 )( resid   12 and name   HN ) 3.00 0.60  0.75 
assign ( resid   12 and name   HA )( resid   12 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid   12 and name  HB1 )( resid   12 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid   13 and name   HA )( resid   13 and name   HN ) 3.50 0.60  0.75 
assign ( resid   13 and name   HN )( resid   13 and name  HB# ) 3.50 0.60  0.75 
assign ( resid   13 and name   HN )( resid   13 and name  HG# ) 5.00 0.75  0.85 
assign ( resid   13 and name   HA )( resid   13 and name  HB# ) 3.00 0.60  0.75 
assign ( resid   13 and name   HA )( resid   13 and name  HG# ) 3.50 0.60  0.75
assign ( resid   13 and name  HB# )( resid   13 and name  HG# ) 3.25 0.60  0.75 
assign ( resid   13 and name  HD# )( resid   13 and name  HB# ) 5.00 0.75  0.85 
assign ( resid   13 and name  HD# )( resid   13 and name  HG# ) 4.00 0.75  0.85 
assign ( resid   14 and name  HB1 )( resid   14 and name   HN ) 5.00 0.75  0.85 
assign ( resid   14 and name  HB2 )( resid   14 and name   HN ) 5.00 0.75  0.85 
assign ( resid   15 and name   HA )( resid   15 and name   HN ) 3.00 0.60  0.75 
assign ( resid   15 and name  HB1 )( resid   15 and name   HN ) 3.50 0.60  0.75 
assign ( resid   15 and name  HB2 )( resid   15 and name   HN ) 3.50 0.60  0.75 
assign ( resid   15 and name  HD# )( resid   15 and name   HN ) 3.50 0.60  0.75 
assign ( resid   15 and name   HN )( resid   15 and name  HE# ) 5.00 0.75  0.85 
assign ( resid   15 and name   HA )( resid   15 and name  HB1 ) 4.00 0.75  0.85 
assign ( resid   15 and name   HA )( resid   15 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid   15 and name  HB1 )( resid   15 and name  HD# ) 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# ) 4.00 0.75  0.85 
assign ( resid   15 and name  HB2 )( resid   15 and name  HE# ) 5.00 0.75  0.85 
assign ( resid   16 and name   HN )( resid   16 and name HG2# ) 3.50 0.60  0.75 
assign ( resid   16 and name   HA )( resid   16 and name HG2# ) 2.50 0.50  0.75 
assign ( resid   16 and name   HB )( resid   16 and name HG2# ) 2.50 0.50  0.75 
assign ( resid   17 and name   HA )( resid   17 and name   HN ) 3.00 0.60  0.75 
assign ( resid   17 and name   HN )( resid   17 and name  HB1 ) 3.25 0.60  0.75 
assign ( resid   17 and name  HB2 )( resid   17 and name   HN ) 4.00 0.75  0.85 
assign ( resid   17 and name  HG1 )( resid   17 and name   HN ) 5.00 0.75  0.85 
assign ( resid   17 and name   HA )( resid   17 and name  HB1 ) 3.50 0.60  0.75 
assign ( resid   17 and name   HA )( resid   17 and name  HB2 ) 3.00 0.60  0.75 
assign ( resid   17 and name  HB1 )( resid   17 and name  HB2 ) 4.00 0.75  0.85 
assign ( resid   17 and name  HB1 )( resid   17 and name  HG1 ) 5.00 0.75  0.85 
assign ( resid   17 and name  HG1 )( resid   17 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid   17 and name  HG1 )( resid   17 and name  HG2 ) 3.50 0.60  0.75 
assign ( resid   18 and name   HA )( resid   18 and name   HN ) 2.50 0.50  0.75 
assign ( resid   18 and name   HN )( resid   18 and name  HB# ) 2.50 0.50  0.75 
assign ( resid   18 and name   HA )( resid   18 and name  HB# ) 2.00 0.30  0.50 
assign ( resid   19 and name   HA )( resid   19 and name   HN ) 3.00 0.60  0.75 
assign ( resid   19 and name  HB1 )( resid   19 and name   HN ) 5.00 0.75  0.85 
assign ( resid   19 and name  HB2 )( resid   19 and name   HN ) 3.00 0.60  0.75 
assign ( resid   19 and name   HN )( resid   19 and name HD## ) 3.25 0.60  0.75 
assign ( resid   19 and name   HA )( resid   19 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid   19 and name   HA )( resid   19 and name HD## ) 3.00 0.60  0.75 
assign ( resid   19 and name HD## )( resid   19 and name   HA ) 5.00 0.75  0.85 
assign ( resid   19 and name  HB1 )( resid   19 and name HD## ) 3.50 0.60  0.75 
assign ( resid   19 and name   HG )( resid   19 and name  HB2 ) 4.00 0.75  0.85 
assign ( resid   19 and name HD## )( resid   19 and name  HB2 ) 3.50 0.60  0.75 
assign ( resid   19 and name   HG )( resid   19 and name HD## ) 5.00 0.75  0.85 
assign ( resid   20 and name  HA1 )( resid   20 and name   HN ) 3.00 0.60  0.75 
assign ( resid   20 and name  HA2 )( resid   20 and name   HN ) 3.00 0.60  0.75 
assign ( resid   21 and name   HA )( resid   21 and name   HN ) 3.50 0.60  0.75 
assign ( resid   21 and name   HN )( resid   21 and name  HB1 ) 5.00 0.75  0.85 
assign ( resid   21 and name  HB2 )( resid   21 and name   HN ) 5.00 0.75  0.85 
assign ( resid   21 and name   HN )( resid   21 and name  HD# ) 5.00 0.75  0.85 
assign ( resid   21 and name   HA )( resid   21 and name  HB2 ) 5.00 0.75  0.85 
assign ( resid   21 and name   HA )( resid   21 and name  HG# ) 5.00 0.75  0.85 
assign ( resid   21 and name   HA )( resid   21 and name  HD# ) 5.00 0.75  0.85 
assign ( resid   21 and name  HB1 )( resid   21 and name  HB2 ) 4.00 0.75  0.85 
assign ( resid   21 and name  HB1 )( resid   21 and name  HG# ) 4.00 0.75  0.85 
assign ( resid   21 and name  HB2 )( resid   21 and name  HG# ) 5.00 0.75  0.85 
assign ( resid   21 and name  HB2 )( resid   21 and name  HD# ) 5.00 0.75  0.85 
assign ( resid   21 and name  HG# )( resid   21 and name  HE# ) 5.00 0.75  0.85 
assign ( resid   21 and name  HD# )( resid   21 and name  HE# ) 5.00 0.75  0.85 
! inter-residue NOE's  for UA159sp
assign ( resid  4 and  name HD1# )(resid  7 and  name  HD#   )    3.5  0.6 0.75
assign ( resid  4 and  name HD2# )(resid  7 and  name  HB#   )   4.38 0.75 0.85
assign ( resid  4 and  name HD2# )(resid  7 and  name  HD#   )   4.75 0.75 0.85
assign ( resid  4 and  name HG   )(resid  7 and  name  HD#   )   4.75 0.75 0.85
assign ( resid  4 and  name HA   )(resid  8 and  name  HN    )      4  0.1 0.35
assign ( resid  4 and  name HD1# )(resid  8 and  name  HE#   )   4.75 0.75 0.85
assign ( resid  4 and  name HG   )(resid  8 and  name  HD#   )   4.75 0.75 0.85
assign ( resid  4 and  name HG   )(resid  8 and  name  HE#   )   4.75 0.75 0.85
assign ( resid  6 and  name HA   )(resid  7 and  name  HN    )    3.6  0.2  0.2
assign ( resid  6 and  name HB   )(resid  7 and  name  HN    )    3.5 0.75 0.85
assign ( resid  6 and  name HN   )(resid  7 and  name  HN    )      3 0.25 0.25
assign ( resid  6 and  name HB   )(resid  9 and  name  HB1   )    3.5  0.6 0.75
assign ( resid  6 and  name HB   )(resid  9 and  name  HG#   )   4.75 0.75 0.85
assign ( resid  6 and  name HG2# )(resid  9 and  name  HD#   )      4 0.75 0.85
assign ( resid  6 and  name HG2# )(resid 10 and  name  HD##  )   3.25  0.6 0.75
assign ( resid  6 and  name HG2# )(resid 10 and  name  HA    )   4.75 0.75 0.85
assign ( resid  6 and  name HG2# )(resid 10 and  name  HB1   )   3.75 0.68  0.8
assign ( resid  7 and  name HB#  )(resid  4 and  name  HD1#  )   4.75 0.75 0.85
assign ( resid  7 and  name HB#  )(resid  4 and  name  HD2#  )   4.75 0.75 0.85
assign ( resid  7 and  name HD#  )(resid  6 and  name  HA    )      3  0.6 0.75
assign ( resid  7 and  name HB#  )(resid  8 and  name  HN    )    3.5  0.6 0.75
assign ( resid  7 and  name HD#  )(resid  8 and  name  HD#   )      3  0.6 0.75
assign ( resid  7 and  name HD#  )(resid  8 and  name  HE#   )      4 0.75 0.85
assign ( resid  7 and  name HN   )(resid  8 and  name  HN    )      3 0.25 0.25
assign ( resid  7 and  name HA   )(resid 10 and  name  HN    )    3.6 0.25 0.25
assign ( resid  7 and  name HD#  )(resid 10 and  name  HD##  )   4.75 0.75 0.85
assign ( resid  7 and  name HE#  )(resid 10 and  name  HD##  )      4 0.75 0.85
assign ( resid  7 and  name HA   )(resid 11 and  name  HN    )      4  0.1 0.35
assign ( resid  7 and  name HB#  )(resid 11 and  name  HN    )   4.75 0.75 0.85
assign ( resid  8 and  name HA   )(resid  9 and  name  HN    )    3.6  0.2  0.2
assign ( resid  8 and  name HD#  )(resid  9 and  name  HA    )   4.75 0.75 0.85
assign ( resid  8 and  name HN   )(resid  9 and  name  HN    )      3 0.25 0.25
assign ( resid  8 and  name HA   )(resid 11 and  name  HB1   )   4.75 0.75 0.85
assign ( resid  8 and  name HA   )(resid 11 and  name  HB2   )      3  0.6 0.75
assign ( resid  8 and  name HB#  )(resid 11 and  name  HB1   )      4 0.75 0.85
assign ( resid  8 and  name HB#  )(resid 11 and  name  HB2   )   4.38 0.75 0.85
assign ( resid  8 and  name HA   )(resid 12 and  name  HN    )      4  0.1 0.35
assign ( resid  8 and  name HB#  )(resid 12 and  name  HN    )   4.75 0.75 0.85
assign ( resid  9 and  name HA   )(resid  8 and  name  HD#   )      4 0.75 0.85
assign ( resid  9 and  name HA   )(resid  8 and  name  HE#   )   4.75 0.75 0.85
assign ( resid  9 and  name HA   )(resid 10 and  name  HN    )    3.6  0.2  0.2
assign ( resid  9 and  name HB1  )(resid 10 and  name  HN    )   4.75 0.75 0.85
assign ( resid  9 and  name HB1  )(resid 10 and  name  HD##  )   4.75 0.75 0.85
assign ( resid  9 and  name HB2  )(resid 10 and  name  HN    )   4.75 0.75 0.85
assign ( resid  9 and  name HN   )(resid 10 and  name  HN    )      3 0.25 0.25
assign ( resid  9 and  name HA   )(resid 12 and  name  HB1   )      3  0.6 0.75
assign ( resid 10 and  name HB1  )(resid  6 and  name  HG2#  )   4.75 0.75 0.85
assign ( resid 10 and  name HD## )(resid  6 and  name  HB    )    3.5  0.6 0.75
assign ( resid 10 and  name HA   )(resid  7 and  name  HE#   )   4.75 0.75 0.85
assign ( resid 10 and  name HB1  )(resid  7 and  name  HA    )   4.75 0.75 0.85
assign ( resid 10 and  name HB2  )(resid  7 and  name  HA    )      4 0.75 0.85
assign ( resid 10 and  name HD## )(resid  7 and  name  HA    )      3  0.6 0.75
assign ( resid 10 and  name HD## )(resid  7 and  name  HB#   )      4 0.75 0.85
assign ( resid 10 and  name HA   )(resid 11 and  name  HN    )    3.6  0.2  0.2
assign ( resid 10 and  name HB2  )(resid 11 and  name  HN    )   4.75 0.75 0.85
assign ( resid 10 and  name HN   )(resid 11 and  name  HN    )      3 0.25 0.25
assign ( resid 10 and  name HA   )(resid 13 and  name  HN    )    3.7 0.25 0.25
assign ( resid 10 and  name HA   )(resid 13 and  name  HD#   )      3  0.6 0.75
assign ( resid 11 and  name HB1  )(resid  7 and  name  HA    )      3  0.6 0.75
assign ( resid 11 and  name HB2  )(resid  7 and  name  HA    )      3  0.6 0.75
assign ( resid 11 and  name HA   )(resid 12 and  name  HN    )    3.6  0.2  0.2
assign ( resid 11 and  name HB1  )(resid 12 and  name  HN    )      3  0.6 0.75
assign ( resid 11 and  name HB2  )(resid 12 and  name  HN    )   4.75 0.75 0.85
assign ( resid 11 and  name HD#  )(resid 12 and  name  HA    )   4.75 0.75 0.85
assign ( resid 11 and  name HE#  )(resid 12 and  name  HA    )   4.75 0.75 0.85
assign ( resid 11 and  name HN   )(resid 12 and  name  HN    )      3 0.25 0.25
assign ( resid 11 and  name HA   )(resid 15 and  name  HB1   )    3.5  0.6 0.75
assign ( resid 11 and  name HB1  )(resid 15 and  name  HD#   )   4.75 0.75 0.85
assign ( resid 11 and  name HD#  )(resid 15 and  name  HB1   )      3  0.6 0.75
assign ( resid 11 and  name HE#  )(resid 15 and  name  HD#   )   4.75 0.75 0.85
assign ( resid 11 and  name HN   )(resid 15 and  name  HN    )   5.75 0.75 0.85
assign ( resid 12 and  name HB2  )(resid  8 and  name  HD#   )   4.75 0.75 0.85
assign ( resid 12 and  name HA   )(resid 13 and  name  HN    )    3.6  0.2  0.2
assign ( resid 12 and  name HB1  )(resid 13 and  name  HN    )   4.75 0.75 0.85
assign ( resid 12 and  name HB2  )(resid 13 and  name  HN    )      4 0.75 0.85
assign ( resid 12 and  name HN   )(resid 13 and  name  HN    )      3 0.25 0.25
assign ( resid 12 and  name HA   )(resid 15 and  name  HN    )    3.6 0.25 0.25
assign ( resid 12 and  name HA   )(resid 15 and  name  HB1   )   3.75 0.68  0.8
assign ( resid 12 and  name HA   )(resid 15 and  name  HB2   )   3.25  0.6 0.75
assign ( resid 13 and  name HA   )(resid 15 and  name  HN    )   4.75 0.75 0.85
assign ( resid 13 and  name HA   )(resid 16 and  name  HN    )    3.6 0.25 0.25
assign ( resid 14 and  name HN   )(resid 13 and  name  HB#   )   4.75 0.75 0.85
assign ( resid 14 and  name HB2  )(resid 15 and  name  HN    )   4.75 0.75 0.85
assign ( resid 14 and  name HN   )(resid 15 and  name  HN    )      3 0.25 0.25
assign ( resid 15 and  name HE#  )(resid 11 and  name  HB1   )   4.75 0.75 0.85
assign ( resid 15 and  name HE#  )(resid 11 and  name  HB2   )      4 0.75 0.85
assign ( resid 15 and  name HA   )(resid 16 and  name  HN    )    3.6  0.2  0.2
assign ( resid 15 and  name HB1  )(resid 16 and  name  HN    )   4.75 0.75 0.85
assign ( resid 15 and  name HB2  )(resid 16 and  name  HN    )   4.75 0.75 0.85
assign ( resid 15 and  name HN   )(resid 16 and  name  HN    )      3 0.25 0.25
assign ( resid 15 and  name HA   )(resid 18 and  name  HN    )    3.6 0.25 0.25
assign ( resid 15 and  name HA   )(resid 18 and  name  HB#   )      4 0.75 0.85
assign ( resid 15 and  name HD#  )(resid 19 and  name  HD##  )   4.75 0.75 0.85
assign ( resid 15 and  name HE#  )(resid 19 and  name  HD##  )   3.75 0.68  0.8
assign ( resid 15 and  name HE#  )(resid 19 and  name  HD##  )      3  0.6 0.75
assign ( resid 16 and  name HG2# )(resid 12 and  name  HA    )   4.75 0.75 0.85
assign ( resid 16 and  name HB   )(resid 13 and  name  HD#   )      3  0.6 0.75
assign ( resid 16 and  name HG2# )(resid 13 and  name  HA    )    3.5  0.6 0.75
assign ( resid 16 and  name HB   )(resid 15 and  name  HD#   )    3.5  0.6 0.75
assign ( resid 16 and  name HB   )(resid 15 and  name  HE#   )   4.75 0.75 0.85
assign ( resid 16 and  name HG2# )(resid 15 and  name  HD#   )   4.75 0.75 0.85
assign ( resid 16 and  name HG2# )(resid 15 and  name  HE#   )   4.75 0.75 0.85
assign ( resid 16 and  name HA   )(resid 17 and  name  HN    )    3.6  0.2  0.2
assign ( resid 16 and  name HB   )(resid 17 and  name  HN    )   4.75 0.75 0.85
assign ( resid 16 and  name HB   )(resid 17 and  name  HB1   )      3  0.6 0.75
assign ( resid 16 and  name HB   )(resid 17 and  name  HB2   )    3.5  0.6 0.75
assign ( resid 16 and  name HB   )(resid 19 and  name  HD##  )   4.75 0.75 0.85
assign ( resid 16 and  name HB   )(resid 19 and  name  HB2   )      4 0.75 0.85
assign ( resid 16 and  name HB   )(resid 19 and  name  HD##  )      3  0.6 0.75
assign ( resid 16 and  name HA   )(resid 20 and  name  HN    )      4  0.1 0.35
assign ( resid 17 and  name HB1  )(resid 18 and  name  HN    )    3.5  0.6 0.75
assign ( resid 17 and  name HB1  )(resid 18 and  name  HB#   )   4.75 0.75 0.85
assign ( resid 17 and  name HB1  )(resid 18 and  name  HA    )      3  0.6 0.75
assign ( resid 17 and  name HN   )(resid 18 and  name  HN    )      3 0.25 0.25
assign ( resid 17 and  name HA   )(resid 20 and  name  HN    )    3.6 0.25 0.25
assign ( resid 18 and  name HB#  )(resid 15 and  name  HB2   )   4.75 0.75 0.85
assign ( resid 18 and  name HB#  )(resid 15 and  name  HD#   )   4.75 0.75 0.85
assign ( resid 18 and  name HA   )(resid 19 and  name  HN    )    3.6  0.2  0.2
assign ( resid 18 and  name HB#  )(resid 19 and  name  HN    )      3  0.6 0.75
assign ( resid 18 and  name HB#  )(resid 19 and  name  HD##  )   3.75 0.68  0.8
assign ( resid 18 and  name HN   )(resid 19 and  name  HN    )      3 0.25 0.25
assign ( resid 19 and  name HD## )(resid 15 and  name  HA    )    2.5  0.5 0.75
assign ( resid 19 and  name HD## )(resid 15 and  name  HD#   )   4.75 0.75 0.85
assign ( resid 19 and  name HD## )(resid 16 and  name  HA    )   4.75 0.75 0.85
assign ( resid 19 and  name HD## )(resid 18 and  name  HB#   )      4 0.75 0.85
assign ( resid 19 and  name HD## )(resid 18 and  name  HA    )      4 0.75 0.85
assign ( resid 19 and  name HA   )(resid 20 and  name  HN    )    3.6  0.2  0.2
assign ( resid 19 and  name HB1  )(resid 20 and  name  HN    )   4.75 0.75 0.85
assign ( resid 19 and  name HB2  )(resid 20 and  name  HN    )   4.75 0.75 0.85
assign ( resid 19 and  name HN   )(resid 20 and  name  HN    )      3 0.25 0.25
assign ( resid 20 and  name HA1  )(resid 21 and  name  HN    )    3.6  0.2  0.2
assign ( resid 20 and  name HA2  )(resid 21 and  name  HN    )    3.6  0.2  0.2
assign ( resid 21 and  name HE#  )(resid 18 and  name  HB#   )   4.75 0.75 0.85
! added H-bonds for UA159sp
assign ( resid    4 and name    O )( resid    8 and name   HN ) 1.50 0.30  0.40
assign ( resid    5 and name    O )( resid    9 and name   HN ) 1.50 0.30  0.40
assign ( resid    6 and name    O )( resid   10 and name   HN ) 1.50 0.30  0.40
assign ( resid    7 and name    O )( resid   11 and name   HN ) 1.50 0.30  0.40
assign ( resid    8 and name    O )( resid   12 and name   HN ) 1.50 0.30  0.40
assign ( resid    9 and name    O )( resid   13 and name   HN ) 1.50 0.30  0.40
assign ( resid   10 and name    O )( resid   14 and name   HN ) 1.50 0.30  0.40
assign ( resid   11 and name    O )( resid   15 and name   HN ) 1.50 0.30  0.40
assign ( resid   12 and name    O )( resid   16 and name   HN ) 1.50 0.30  0.40
assign ( resid   13 and name    O )( resid   17 and name   HN ) 1.50 0.30  0.40
assign ( resid   14 and name    O )( resid   18 and name   HN ) 1.50 0.30  0.40
assign ( resid   15 and name    O )( resid   19 and name   HN ) 1.50 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  
 assign (resid  15 and name c )   (resid  16 and name n ) 
        (resid  16 and name ca)   (resid  16 and name c )  1.0 -60.0 30.0 2  
 assign (resid  16 and name c )   (resid  17 and name n ) 
        (resid  17 and name ca)   (resid  17 and name c )  1.0 -60.0 30.0 2  
 assign (resid  17 and name c )   (resid  18 and name n ) 
        (resid  18 and name ca)   (resid  18 and name c )  1.0 -60.0 30.0 2  
 assign (resid  18 and name c )   (resid  19 and name n ) 
        (resid  19 and name ca)   (resid  19 and name c )  1.0 -60.0 30.0 2  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          1H        SER   1 -14.425  -1.346  -1.351
    2   2H    SER   1          2H        SER   1 -14.325  -1.523  -1.356
    3   3H    SER   1          3H        SER   1 -14.434  -1.465  -1.361
    4    HA   SER   1           HA       SER   1 -14.238  -1.470  -1.266
    5   1HB   SER   1          HB2       SER   1 -14.285  -1.589  -1.318
    6   2HB   SER   1          HB1       SER   1 -14.242  -1.576  -1.251
    7    HG   SER   1           HG       SER   1 -14.368  -1.530  -1.345
    8    H    GLY   2           HN       GLY   2 -13.535  -1.585  -1.035
    9   1HA   GLY   2          HA2       GLY   2 -13.317  -1.721  -1.013
   10   2HA   GLY   2          HA1       GLY   2 -13.165  -1.791  -1.040
   11    H    SER   3           HN       SER   3 -12.369  -1.578  -0.782
   12    HA   SER   3           HA       SER   3 -11.895  -1.189  -0.492
   13   1HB   SER   3          HB2       SER   3 -12.067  -1.415  -0.278
   14   2HB   SER   3          HB1       SER   3 -11.961  -1.450  -0.287
   15    HG   SER   3           HG       SER   3 -12.306  -1.381  -0.185
   16    H    LEU   4           HN       LEU   4 -10.564  -1.115  -1.175
   17    HA   LEU   4           HA       LEU   4  -9.165  -2.191  -0.556
   18   1HB   LEU   4          HB2       LEU   4  -9.750  -1.920  -2.242
   19   2HB   LEU   4          HB1       LEU   4  -8.954  -1.718  -2.005
   20    HG   LEU   4           HG       LEU   4  -9.492  -2.750  -1.969
   21   1HD1  LEU   4          HD11      LEU   4  -9.881  -3.266  -2.795
   22   2HD1  LEU   4          HD12      LEU   4  -9.891  -3.123  -2.705
   23   3HD1  LEU   4          HD13      LEU   4  -9.946  -3.142  -2.738
   24   1HD2  LEU   4          HD21      LEU   4  -9.177  -3.099  -2.628
   25   2HD2  LEU   4          HD22      LEU   4  -9.297  -3.096  -2.699
   26   3HD2  LEU   4          HD23      LEU   4  -9.288  -3.198  -2.617
   27    H    SER   5           HN       SER   5  -9.764   0.822  -0.665
   28    HA   SER   5           HA       SER   5  -7.591   1.913  -1.030
   29   1HB   SER   5          HB2       SER   5  -9.189   2.816   0.031
   30   2HB   SER   5          HB1       SER   5  -9.150   2.786   0.346
   31    HG   SER   5           HG       SER   5  -9.213   3.319   0.148
   32    H    THR   6           HN       THR   6  -8.477   1.258   2.232
   33    HA   THR   6           HA       THR   6  -6.093   1.816   3.498
   34    HB   THR   6           HB       THR   6  -7.498  -0.286   4.497
   35    HG1  THR   6           HG1      THR   6  -8.723   0.516   4.405
   36   1HG2  THR   6          HG21      THR   6  -7.370   0.872   5.574
   37   2HG2  THR   6          HG22      THR   6  -7.343   1.015   5.520
   38   3HG2  THR   6          HG23      THR   6  -7.229   0.917   5.566
   39    H    PHE   7           HN       PHE   7  -7.046  -1.445   2.397
   40    HA   PHE   7           HA       PHE   7  -4.659  -2.804   2.924
   41   1HB   PHE   7          HB2       PHE   7  -6.944  -3.226   1.392
   42   2HB   PHE   7          HB1       PHE   7  -5.807  -3.711   0.581
   43    HD1  PHE   7           HD1      PHE   7  -4.960  -5.285   2.072
   44    HD2  PHE   7           HD2      PHE   7  -7.134  -4.125   2.309
   45    HE1  PHE   7           HE1      PHE   7  -4.946  -7.098   3.181
   46    HE2  PHE   7           HE2      PHE   7  -7.120  -5.938   3.418
   47    HZ   PHE   7           HZ       PHE   7  -6.026  -7.424   3.854
   48    H    PHE   8           HN       PHE   8  -5.566  -1.406  -0.251
   49    HA   PHE   8           HA       PHE   8  -3.131  -1.757  -1.590
   50   1HB   PHE   8          HB2       PHE   8  -5.418  -0.584  -2.174
   51   2HB   PHE   8          HB1       PHE   8  -4.617   0.677  -2.013
   52    HD1  PHE   8           HD1      PHE   8  -4.011   1.026  -3.615
   53    HD2  PHE   8           HD2      PHE   8  -4.061  -1.807  -3.427
   54    HE1  PHE   8           HE1      PHE   8  -3.259   0.810  -5.627
   55    HE2  PHE   8           HE2      PHE   8  -3.310  -2.023  -5.438
   56    HZ   PHE   8           HZ       PHE   8  -2.909  -0.714  -6.538
   57    H    ARG   9           HN       ARG   9  -4.134   1.191   0.185
   58    HA   ARG   9           HA       ARG   9  -1.743   2.646  -0.024
   59   1HB   ARG   9          HB2       ARG   9  -4.021   2.897   1.373
   60   2HB   ARG   9          HB1       ARG   9  -3.108   2.901   2.410
   61   1HG   ARG   9          HG2       ARG   9  -2.601   4.304   1.381
   62   2HG   ARG   9          HG1       ARG   9  -2.999   4.389   1.048
   63   1HD   ARG   9          HD2       ARG   9  -3.397   5.104   1.627
   64   2HD   ARG   9          HD1       ARG   9  -3.228   5.045   1.743
   65    HE   ARG   9           HE       ARG   9  -3.183   5.704   1.630
   66   1HH1  ARG   9          HH11      ARG   9  -4.236   6.733   1.069
   67   2HH1  ARG   9          HH12      ARG   9  -4.083   7.347   1.372
   68   1HH2  ARG   9          HH21      ARG   9  -2.678   6.161   2.285
   69   2HH2  ARG   9          HH22      ARG   9  -3.201   7.023   2.060
   70    H    LEU  10           HN       LEU  10  -2.683   0.400   2.603
   71    HA   LEU  10           HA       LEU  10  -0.326   0.545   4.138
   72   1HB   LEU  10          HB2       LEU  10  -2.596  -0.861   4.232
   73   2HB   LEU  10          HB1       LEU  10  -1.632  -2.009   3.890
   74    HG   LEU  10           HG       LEU  10  -0.851  -0.972   5.666
   75   1HD1  LEU  10          HD11      LEU  10  -1.722  -0.832   6.433
   76   2HD1  LEU  10          HD12      LEU  10  -1.698  -0.896   6.579
   77   3HD1  LEU  10          HD13      LEU  10  -1.789  -0.976   6.489
   78   1HD2  LEU  10          HD21      LEU  10  -1.241  -2.044   5.946
   79   2HD2  LEU  10          HD22      LEU  10  -1.275  -2.024   5.911
   80   3HD2  LEU  10          HD23      LEU  10  -1.213  -2.022   6.122
   81    H    PHE  11           HN       PHE  11  -1.103  -1.771   1.522
   82    HA   PHE  11           HA       PHE  11   1.351  -3.182   1.506
   83   1HB   PHE  11          HB2       PHE  11  -0.913  -3.192   0.050
   84   2HB   PHE  11          HB1       PHE  11   0.068  -2.770  -1.009
   85    HD1  PHE  11           HD1      PHE  11   0.088  -4.868   0.950
   86    HD2  PHE  11           HD2      PHE  11   0.717  -4.250  -1.647
   87    HE1  PHE  11           HE1      PHE  11   0.682  -6.923   0.678
   88    HE2  PHE  11           HE2      PHE  11   1.311  -6.305  -1.919
   89    HZ   PHE  11           HZ       PHE  11   1.294  -7.641  -0.756
   90    H    ASN  12           HN       ASN  12   0.389  -0.372  -0.499
   91    HA   ASN  12           HA       ASN  12   2.846  -0.028  -1.871
   92   1HB   ASN  12          HB2       ASN  12   0.536   1.262  -1.832
   93   2HB   ASN  12          HB1       ASN  12   1.300   2.260  -1.230
   94   1HD2  ASN  12          HD21      ASN  12   1.708   2.395  -3.028
   95   2HD2  ASN  12          HD22      ASN  12   2.093   2.596  -4.075
   96    H    ARG  13           HN       ARG  13   1.707   1.608   1.106
   97    HA   ARG  13           HA       ARG  13   4.039   3.117   1.637
   98   1HB   ARG  13          HB2       ARG  13   1.715   2.643   2.898
   99   2HB   ARG  13          HB1       ARG  13   2.630   2.133   3.873
  100   1HG   ARG  13          HG2       ARG  13   3.113   3.902   3.587
  101   2HG   ARG  13          HG1       ARG  13   2.704   4.219   3.467
  102   1HD   ARG  13          HD2       ARG  13   2.490   4.434   4.240
  103   2HD   ARG  13          HD1       ARG  13   2.577   4.374   4.246
  104    HE   ARG  13           HE       ARG  13   2.637   5.061   4.605
  105   1HH1  ARG  13          HH11      ARG  13   1.666   5.683   5.547
  106   2HH1  ARG  13          HH12      ARG  13   2.116   6.291   5.830
  107   1HH2  ARG  13          HH21      ARG  13   3.640   5.627   4.643
  108   2HH2  ARG  13          HH22      ARG  13   3.234   6.259   5.318
  109    H    SER  14           HN       SER  14   3.161  -0.121   2.888
  110    HA   SER  14           HA       SER  14   5.522  -0.615   4.367
  111   1HB   SER  14          HB2       SER  14   3.741  -2.258   3.902
  112   2HB   SER  14          HB1       SER  14   4.018  -2.557   3.444
  113    HG   SER  14           HG       SER  14   4.195  -2.927   4.280
  114    H    PHE  15           HN       PHE  15   4.772  -1.461   0.977
  115    HA   PHE  15           HA       PHE  15   7.246  -2.709   0.352
  116   1HB   PHE  15          HB2       PHE  15   4.988  -2.247  -0.956
  117   2HB   PHE  15          HB1       PHE  15   5.837  -1.201  -1.664
  118    HD1  PHE  15           HD1      PHE  15   6.021  -3.989  -1.046
  119    HD2  PHE  15           HD2      PHE  15   6.860  -2.074  -2.984
  120    HE1  PHE  15           HE1      PHE  15   6.845  -5.532  -2.340
  121    HE2  PHE  15           HE2      PHE  15   7.684  -3.617  -4.277
  122    HZ   PHE  15           HZ       PHE  15   7.677  -5.346  -3.955
  123    H    THR  16           HN       THR  16   6.219   0.676  -0.188
  124    HA   THR  16           HA       THR  16   8.664   1.629  -1.263
  125    HB   THR  16           HB       THR  16   6.947   3.266   0.191
  126    HG1  THR  16           HG1      THR  16   5.971   2.945  -0.968
  127   1HG2  THR  16          HG21      THR  16   7.502   4.016  -1.222
  128   2HG2  THR  16          HG22      THR  16   7.663   3.954  -1.209
  129   3HG2  THR  16          HG23      THR  16   7.587   4.037  -1.064
  130    H    GLN  17           HN       GLN  17   7.501   1.658   2.109
  131    HA   GLN  17           HA       GLN  17   9.794   2.881   3.262
  132   1HB   GLN  17          HB2       GLN  17   7.528   2.035   4.225
  133   2HB   GLN  17          HB1       GLN  17   8.261   1.027   4.737
  134   1HG   GLN  17          HG2       GLN  17   9.010   2.526   5.374
  135   2HG   GLN  17          HG1       GLN  17   8.527   2.865   5.445
  136   1HE2  GLN  17          HE21      GLN  17   8.543   2.759   6.667
  137   2HE2  GLN  17          HE22      GLN  17   8.322   2.831   7.344
  138    H    ALA  18           HN       ALA  18   8.974  -0.567   2.886
  139    HA   ALA  18           HA       ALA  18  11.336  -1.611   4.076
  140   1HB   ALA  18          HB1       ALA  18   9.779  -3.043   2.840
  141   2HB   ALA  18          HB2       ALA  18   9.864  -3.113   2.825
  142   3HB   ALA  18          HB3       ALA  18   9.817  -3.066   2.737
  143    H    LEU  19           HN       LEU  19  10.554  -1.110   0.649
  144    HA   LEU  19           HA       LEU  19  13.001  -1.918  -0.465
  145   1HB   LEU  19          HB2       LEU  19  10.756  -0.877  -1.377
  146   2HB   LEU  19          HB1       LEU  19  11.663   0.263  -1.667
  147    HG   LEU  19           HG       LEU  19  12.470  -1.477  -2.525
  148   1HD1  LEU  19          HD11      LEU  19  11.682  -1.862  -3.205
  149   2HD1  LEU  19          HD12      LEU  19  11.737  -1.931  -3.302
  150   3HD1  LEU  19          HD13      LEU  19  11.744  -1.880  -3.348
  151   1HD2  LEU  19          HD21      LEU  19  12.265  -0.941  -3.378
  152   2HD2  LEU  19          HD22      LEU  19  12.263  -0.877  -3.352
  153   3HD2  LEU  19          HD23      LEU  19  12.136  -0.860  -3.341
  154    H    GLY  20           HN       GLY  20  12.121   1.187   0.904
  155   1HA   GLY  20          HA2       GLY  20  14.099   2.541   1.044
  156   2HA   GLY  20          HA1       GLY  20  14.138   2.478   1.137
  157    H    LYS  21           HN       LYS  21  13.307   1.287   0.630
  158    HA   LYS  21           HA       LYS  21  14.522   2.636   0.985
  159   1HB   LYS  21          HB2       LYS  21  14.001   2.068   0.950
  160   2HB   LYS  21          HB1       LYS  21  14.260   2.190   0.952
  161   1HG   LYS  21          HG2       LYS  21  14.528   2.391   0.954
  162   2HG   LYS  21          HG1       LYS  21  14.386   2.469   1.042
  163   1HD   LYS  21          HD2       LYS  21  14.519   2.449   1.109
  164   2HD   LYS  21          HD1       LYS  21  14.479   2.336   0.985
  165   1HE   LYS  21          HE2       LYS  21  14.756   2.400   1.167
  166   2HE   LYS  21          HE1       LYS  21  14.731   2.362   1.094
  167   1HZ   LYS  21          HZ1       LYS  21  14.727   2.480   1.092
  168   2HZ   LYS  21          HZ2       LYS  21  14.695   2.597   1.202
  169   3HZ   LYS  21          HZ3       LYS  21  14.764   2.440   1.223
  170   1HN   NH2  22          1HN       NH2  22  14.436   2.478   0.789
  171   2HN   NH2  22          2HN       NH2  22  14.541   2.537   0.687
  Start of MODEL    2
    1   1H    SER   1          1H        SER   1 -11.307  -6.676  -5.495
    2   2H    SER   1          2H        SER   1 -11.367  -6.045  -3.919
    3   3H    SER   1          3H        SER   1 -11.695  -5.043  -5.251
    4    HA   SER   1           HA       SER   1 -13.576  -6.799  -5.706
    5   1HB   SER   1          HB2       SER   1 -12.799  -7.023  -2.787
    6   2HB   SER   1          HB1       SER   1 -14.362  -7.558  -3.399
    7    HG   SER   1           HG       SER   1 -12.953  -8.740  -5.006
    8    H    GLY   2           HN       GLY   2 -13.674  -5.296  -2.500
    9   1HA   GLY   2          HA2       GLY   2 -15.153  -2.981  -3.667
   10   2HA   GLY   2          HA1       GLY   2 -15.858  -3.888  -2.327
   11    H    SER   3           HN       SER   3 -14.130  -1.160  -3.004
   12    HA   SER   3           HA       SER   3 -12.870   0.320  -1.657
   13   1HB   SER   3          HB2       SER   3 -14.966  -0.294  -0.289
   14   2HB   SER   3          HB1       SER   3 -13.915  -1.380   0.616
   15    HG   SER   3           HG       SER   3 -12.533   0.597   0.813
   16    H    LEU   4           HN       LEU   4 -10.687  -0.099  -1.979
   17    HA   LEU   4           HA       LEU   4  -9.433  -2.151  -0.191
   18   1HB   LEU   4          HB2       LEU   4  -9.122  -1.657  -3.157
   19   2HB   LEU   4          HB1       LEU   4  -7.889  -2.515  -2.232
   20    HG   LEU   4           HG       LEU   4  -9.901  -3.950  -1.370
   21   1HD1  LEU   4          HD11      LEU   4 -11.187  -2.184  -3.216
   22   2HD1  LEU   4          HD12      LEU   4 -11.908  -3.488  -2.272
   23   3HD1  LEU   4          HD13      LEU   4 -11.260  -3.816  -3.879
   24   1HD2  LEU   4          HD21      LEU   4  -9.038  -4.232  -4.263
   25   2HD2  LEU   4          HD22      LEU   4  -9.533  -5.523  -3.168
   26   3HD2  LEU   4          HD23      LEU   4  -8.014  -4.670  -2.895
   27    H    SER   5           HN       SER   5  -9.700   0.987  -0.482
   28    HA   SER   5           HA       SER   5  -7.223   2.179  -1.054
   29   1HB   SER   5          HB2       SER   5  -9.495   3.173  -0.368
   30   2HB   SER   5          HB1       SER   5  -8.989   2.897   1.297
   31    HG   SER   5           HG       SER   5  -6.958   4.044   0.370
   32    H    THR   6           HN       THR   6  -8.283   1.447   2.291
   33    HA   THR   6           HA       THR   6  -5.898   1.737   3.652
   34    HB   THR   6           HB       THR   6  -6.976  -0.527   4.792
   35    HG1  THR   6           HG1      THR   6  -9.219   0.801   3.816
   36   1HG2  THR   6          HG21      THR   6  -8.554   1.919   5.253
   37   2HG2  THR   6          HG22      THR   6  -6.808   2.147   5.366
   38   3HG2  THR   6          HG23      THR   6  -7.610   0.956   6.390
   39    H    PHE   7           HN       PHE   7  -6.967  -1.495   2.521
   40    HA   PHE   7           HA       PHE   7  -4.592  -2.905   2.863
   41   1HB   PHE   7          HB2       PHE   7  -6.590  -3.046   0.580
   42   2HB   PHE   7          HB1       PHE   7  -5.477  -4.337   1.032
   43    HD1  PHE   7           HD1      PHE   7  -5.670  -5.417   3.292
   44    HD2  PHE   7           HD2      PHE   7  -8.603  -2.650   1.811
   45    HE1  PHE   7           HE1      PHE   7  -7.281  -6.209   5.003
   46    HE2  PHE   7           HE2      PHE   7 -10.214  -3.442   3.522
   47    HZ   PHE   7           HZ       PHE   7  -9.553  -5.222   5.118
   48    H    PHE   8           HN       PHE   8  -5.562  -1.339  -0.220
   49    HA   PHE   8           HA       PHE   8  -3.176  -1.707  -1.653
   50   1HB   PHE   8          HB2       PHE   8  -5.366   0.346  -1.583
   51   2HB   PHE   8          HB1       PHE   8  -3.984   0.612  -2.646
   52    HD1  PHE   8           HD1      PHE   8  -5.187   0.331  -4.734
   53    HD2  PHE   8           HD2      PHE   8  -5.231  -2.743  -1.735
   54    HE1  PHE   8           HE1      PHE   8  -6.142  -1.260  -6.379
   55    HE2  PHE   8           HE2      PHE   8  -6.186  -4.335  -3.380
   56    HZ   PHE   8           HZ       PHE   8  -6.641  -3.593  -5.702
   57    H    ARG   9           HN       ARG   9  -4.048   1.129   0.368
   58    HA   ARG   9           HA       ARG   9  -1.585   2.525   0.104
   59   1HB   ARG   9          HB2       ARG   9  -3.709   3.422   1.011
   60   2HB   ARG   9          HB1       ARG   9  -3.539   2.381   2.425
   61   1HG   ARG   9          HG2       ARG   9  -2.281   3.962   3.410
   62   2HG   ARG   9          HG1       ARG   9  -1.084   3.779   2.128
   63   1HD   ARG   9          HD2       ARG   9  -1.877   5.610   0.939
   64   2HD   ARG   9          HD1       ARG   9  -3.530   5.424   1.559
   65    HE   ARG   9           HE       ARG   9  -1.378   6.879   2.882
   66   1HH1  ARG   9          HH11      ARG   9  -4.518   7.099   2.914
   67   2HH1  ARG   9          HH12      ARG   9  -4.800   6.860   4.606
   68   1HH2  ARG   9          HH21      ARG   9  -1.607   5.664   5.240
   69   2HH2  ARG   9          HH22      ARG   9  -3.152   6.048   5.923
   70    H    LEU  10           HN       LEU  10  -2.648   0.287   2.699
   71    HA   LEU  10           HA       LEU  10  -0.322   0.307   4.283
   72   1HB   LEU  10          HB2       LEU  10  -2.297  -0.802   5.028
   73   2HB   LEU  10          HB1       LEU  10  -2.368  -1.808   3.581
   74    HG   LEU  10           HG       LEU  10  -0.221  -2.883   4.276
   75   1HD1  LEU  10          HD11      LEU  10   0.702  -1.103   5.648
   76   2HD1  LEU  10          HD12      LEU  10   0.476  -2.528   6.661
   77   3HD1  LEU  10          HD13      LEU  10  -0.670  -1.191   6.752
   78   1HD2  LEU  10          HD21      LEU  10  -2.822  -3.108   5.562
   79   2HD2  LEU  10          HD22      LEU  10  -1.528  -3.609   6.650
   80   3HD2  LEU  10          HD23      LEU  10  -1.706  -4.385   5.077
   81    H    PHE  11           HN       PHE  11  -1.077  -1.867   1.532
   82    HA   PHE  11           HA       PHE  11   1.399  -3.297   1.557
   83   1HB   PHE  11          HB2       PHE  11  -0.806  -2.717  -0.398
   84   2HB   PHE  11          HB1       PHE  11   0.642  -3.549  -0.966
   85    HD1  PHE  11           HD1      PHE  11  -0.561  -3.863   2.500
   86    HD2  PHE  11           HD2      PHE  11  -0.505  -5.664  -1.400
   87    HE1  PHE  11           HE1      PHE  11  -1.398  -5.986   3.469
   88    HE2  PHE  11           HE2      PHE  11  -1.342  -7.787  -0.431
   89    HZ   PHE  11           HZ       PHE  11  -1.788  -7.949   2.003
   90    H    ASN  12           HN       ASN  12   0.367  -0.458  -0.372
   91    HA   ASN  12           HA       ASN  12   2.802  -0.108  -1.816
   92   1HB   ASN  12          HB2       ASN  12   0.435   1.545  -1.012
   93   2HB   ASN  12          HB1       ASN  12   1.821   2.369  -1.729
   94   1HD2  ASN  12          HD21      ASN  12  -0.391   2.487  -3.296
   95   2HD2  ASN  12          HD22      ASN  12  -0.310   1.386  -4.585
   96    H    ARG  13           HN       ARG  13   1.688   1.409   1.234
   97    HA   ARG  13           HA       ARG  13   4.007   3.002   1.703
   98   1HB   ARG  13          HB2       ARG  13   1.544   2.378   2.914
   99   2HB   ARG  13          HB1       ARG  13   2.768   1.959   4.114
  100   1HG   ARG  13          HG2       ARG  13   2.398   4.234   4.547
  101   2HG   ARG  13          HG1       ARG  13   3.812   4.272   3.493
  102   1HD   ARG  13          HD2       ARG  13   1.561   4.247   1.770
  103   2HD   ARG  13          HD1       ARG  13   1.217   5.445   3.034
  104    HE   ARG  13           HE       ARG  13   3.928   5.778   2.279
  105   1HH1  ARG  13          HH11      ARG  13   0.958   7.183   1.899
  106   2HH1  ARG  13          HH12      ARG  13   1.288   7.940   0.377
  107   1HH2  ARG  13          HH21      ARG  13   4.287   6.268  -0.106
  108   2HH2  ARG  13          HH22      ARG  13   3.172   7.422  -0.759
  109    H    SER  14           HN       SER  14   3.160  -0.226   3.022
  110    HA   SER  14           HA       SER  14   5.560  -0.683   4.464
  111   1HB   SER  14          HB2       SER  14   3.431  -1.989   4.561
  112   2HB   SER  14          HB1       SER  14   3.798  -2.655   2.972
  113    HG   SER  14           HG       SER  14   5.548  -2.832   5.197
  114    H    PHE  15           HN       PHE  15   4.736  -1.515   1.083
  115    HA   PHE  15           HA       PHE  15   7.220  -2.799   0.448
  116   1HB   PHE  15          HB2       PHE  15   4.864  -1.634  -0.944
  117   2HB   PHE  15          HB1       PHE  15   6.319  -1.834  -1.921
  118    HD1  PHE  15           HD1      PHE  15   5.005  -3.881   0.924
  119    HD2  PHE  15           HD2      PHE  15   5.968  -3.733  -3.259
  120    HE1  PHE  15           HE1      PHE  15   4.544  -6.310   0.732
  121    HE2  PHE  15           HE2      PHE  15   5.507  -6.162  -3.451
  122    HZ   PHE  15           HZ       PHE  15   4.795  -7.451  -1.456
  123    H    THR  16           HN       THR  16   6.093   0.513  -0.364
  124    HA   THR  16           HA       THR  16   8.523   1.469  -1.463
  125    HB   THR  16           HB       THR  16   6.533   3.044   0.194
  126    HG1  THR  16           HG1      THR  16   6.343   1.904  -2.379
  127   1HG2  THR  16          HG21      THR  16   7.772   4.760  -0.571
  128   2HG2  THR  16          HG22      THR  16   7.204   4.358  -2.191
  129   3HG2  THR  16          HG23      THR  16   8.722   3.686  -1.598
  130    H    GLN  17           HN       GLN  17   7.315   1.846   1.897
  131    HA   GLN  17           HA       GLN  17   9.585   3.155   2.974
  132   1HB   GLN  17          HB2       GLN  17   7.543   3.028   4.205
  133   2HB   GLN  17          HB1       GLN  17   7.500   1.269   4.089
  134   1HG   GLN  17          HG2       GLN  17   8.876   1.003   5.870
  135   2HG   GLN  17          HG1       GLN  17   9.953   2.295   5.338
  136   1HE2  GLN  17          HE21      GLN  17   9.220   4.574   5.828
  137   2HE2  GLN  17          HE22      GLN  17   8.222   4.843   7.174
  138    H    ALA  18           HN       ALA  18   8.843  -0.352   2.891
  139    HA   ALA  18           HA       ALA  18  11.224  -1.261   4.156
  140   1HB   ALA  18          HB1       ALA  18  10.607  -3.319   2.592
  141   2HB   ALA  18          HB2       ALA  18   9.169  -2.352   2.264
  142   3HB   ALA  18          HB3       ALA  18   9.539  -2.850   3.915
  143    H    LEU  19           HN       LEU  19  10.503  -1.119   0.641
  144    HA   LEU  19           HA       LEU  19  12.962  -1.894  -0.407
  145   1HB   LEU  19          HB2       LEU  19  10.651  -0.284  -1.183
  146   2HB   LEU  19          HB1       LEU  19  12.126   0.252  -1.988
  147    HG   LEU  19           HG       LEU  19  12.184  -2.573  -2.046
  148   1HD1  LEU  19          HD11      LEU  19   9.576  -1.942  -1.651
  149   2HD1  LEU  19          HD12      LEU  19  10.098  -3.323  -2.617
  150   3HD1  LEU  19          HD13      LEU  19   9.660  -1.809  -3.408
  151   1HD2  LEU  19          HD21      LEU  19  12.576  -2.193  -4.279
  152   2HD2  LEU  19          HD22      LEU  19  12.758  -0.531  -3.717
  153   3HD2  LEU  19          HD23      LEU  19  11.233  -1.059  -4.427
  154    H    GLY  20           HN       GLY  20  12.058   1.354   0.772
  155   1HA   GLY  20          HA2       GLY  20  13.901   2.555   2.018
  156   2HA   GLY  20          HA1       GLY  20  14.967   2.065   0.698
  157    H    LYS  21           HN       LYS  21  12.041   2.714  -0.724
  158    HA   LYS  21           HA       LYS  21  11.212   4.568  -1.935
  159   1HB   LYS  21          HB2       LYS  21  12.095   5.447   0.615
  160   2HB   LYS  21          HB1       LYS  21  12.652   6.648  -0.550
  161   1HG   LYS  21          HG2       LYS  21  10.566   7.472  -0.690
  162   2HG   LYS  21          HG1       LYS  21   9.997   5.910  -1.281
  163   1HD   LYS  21          HD2       LYS  21   8.725   6.053   0.637
  164   2HD   LYS  21          HD1       LYS  21  10.165   5.293   1.315
  165   1HE   LYS  21          HE2       LYS  21   9.472   7.230   2.696
  166   2HE   LYS  21          HE1       LYS  21  11.037   7.556   1.925
  167   1HZ   LYS  21          HZ1       LYS  21  10.105   8.947   0.387
  168   2HZ   LYS  21          HZ2       LYS  21   9.077   9.257   1.704
  169   3HZ   LYS  21          HZ3       LYS  21   8.579   8.209   0.462
  170   1HN   NH2  22          1HN       NH2  22  14.471   5.795  -0.990
  171   2HN   NH2  22          2HN       NH2  22  15.064   5.908  -2.576
  Start of MODEL    3
    1   1H    SER   1          1H        SER   1 -13.168   2.215 -11.070
    2   2H    SER   1          2H        SER   1 -12.693   1.066 -12.228
    3   3H    SER   1          3H        SER   1 -12.324   2.708 -12.456
    4    HA   SER   1           HA       SER   1 -10.341   1.556 -11.732
    5   1HB   SER   1          HB2       SER   1 -11.298   3.894 -10.895
    6   2HB   SER   1          HB1       SER   1 -11.340   3.064  -9.341
    7    HG   SER   1           HG       SER   1  -9.201   2.922  -9.344
    8    H    GLY   2           HN       GLY   2  -9.455  -0.078 -10.465
    9   1HA   GLY   2          HA2       GLY   2 -11.089  -2.021  -9.236
   10   2HA   GLY   2          HA1       GLY   2  -9.363  -1.842  -8.917
   11    H    SER   3           HN       SER   3  -8.696  -0.671  -7.074
   12    HA   SER   3           HA       SER   3 -10.422   0.924  -5.431
   13   1HB   SER   3          HB2       SER   3 -11.152  -1.694  -5.404
   14   2HB   SER   3          HB1       SER   3  -9.988  -1.686  -4.082
   15    HG   SER   3           HG       SER   3 -11.537  -0.834  -2.958
   16    H    LEU   4           HN       LEU   4  -9.411   0.434  -2.908
   17    HA   LEU   4           HA       LEU   4  -6.489   0.079  -3.037
   18   1HB   LEU   4          HB2       LEU   4  -7.430   2.504  -3.746
   19   2HB   LEU   4          HB1       LEU   4  -7.385   2.726  -1.997
   20    HG   LEU   4           HG       LEU   4  -4.977   1.407  -2.951
   21   1HD1  LEU   4          HD11      LEU   4  -4.615   2.579  -4.846
   22   2HD1  LEU   4          HD12      LEU   4  -4.463   4.014  -3.832
   23   3HD1  LEU   4          HD13      LEU   4  -6.020   3.604  -4.553
   24   1HD2  LEU   4          HD21      LEU   4  -5.814   3.688  -1.231
   25   2HD2  LEU   4          HD22      LEU   4  -4.174   3.750  -1.874
   26   3HD2  LEU   4          HD23      LEU   4  -4.683   2.379  -0.888
   27    H    SER   5           HN       SER   5  -8.703   1.919  -0.909
   28    HA   SER   5           HA       SER   5  -9.140   1.687   1.402
   29   1HB   SER   5          HB2       SER   5  -8.580  -1.225   0.784
   30   2HB   SER   5          HB1       SER   5  -9.640  -0.588   2.038
   31    HG   SER   5           HG       SER   5 -10.504  -1.315  -0.165
   32    H    THR   6           HN       THR   6  -8.101   0.984   3.502
   33    HA   THR   6           HA       THR   6  -5.409   1.707   3.741
   34    HB   THR   6           HB       THR   6  -5.580   0.456   5.922
   35    HG1  THR   6           HG1      THR   6  -6.800  -1.258   5.622
   36   1HG2  THR   6          HG21      THR   6  -7.952   1.622   6.440
   37   2HG2  THR   6          HG22      THR   6  -7.587   2.395   4.899
   38   3HG2  THR   6          HG23      THR   6  -6.462   2.545   6.249
   39    H    PHE   7           HN       PHE   7  -6.789  -1.495   3.066
   40    HA   PHE   7           HA       PHE   7  -4.510  -3.123   3.401
   41   1HB   PHE   7          HB2       PHE   7  -7.079  -3.431   2.586
   42   2HB   PHE   7          HB1       PHE   7  -6.254  -3.584   1.035
   43    HD1  PHE   7           HD1      PHE   7  -5.963  -5.819   0.449
   44    HD2  PHE   7           HD2      PHE   7  -5.419  -4.636   4.543
   45    HE1  PHE   7           HE1      PHE   7  -5.296  -8.136   1.031
   46    HE2  PHE   7           HE2      PHE   7  -4.753  -6.952   5.123
   47    HZ   PHE   7           HZ       PHE   7  -4.691  -8.703   3.367
   48    H    PHE   8           HN       PHE   8  -5.631  -1.719   0.287
   49    HA   PHE   8           HA       PHE   8  -3.226  -2.309  -1.149
   50   1HB   PHE   8          HB2       PHE   8  -5.604  -1.651  -1.931
   51   2HB   PHE   8          HB1       PHE   8  -5.087   0.015  -1.669
   52    HD1  PHE   8           HD1      PHE   8  -5.078  -2.743  -3.943
   53    HD2  PHE   8           HD2      PHE   8  -2.864   0.754  -2.793
   54    HE1  PHE   8           HE1      PHE   8  -3.920  -2.756  -6.136
   55    HE2  PHE   8           HE2      PHE   8  -1.706   0.741  -4.986
   56    HZ   PHE   8           HZ       PHE   8  -2.233  -1.013  -6.657
   57    H    ARG   9           HN       ARG   9  -4.324   0.682   0.485
   58    HA   ARG   9           HA       ARG   9  -2.090   2.322  -0.148
   59   1HB   ARG   9          HB2       ARG   9  -4.392   2.270   1.610
   60   2HB   ARG   9          HB1       ARG   9  -3.001   2.955   2.452
   61   1HG   ARG   9          HG2       ARG   9  -3.178   3.943  -0.279
   62   2HG   ARG   9          HG1       ARG   9  -4.651   4.288   0.627
   63   1HD   ARG   9          HD2       ARG   9  -1.936   4.834   1.839
   64   2HD   ARG   9          HD1       ARG   9  -2.737   6.028   0.797
   65    HE   ARG   9           HE       ARG   9  -4.223   4.853   3.104
   66   1HH1  ARG   9          HH21      ARG   9  -5.241   7.064   1.242
   67   2HH1  ARG   9          HH22      ARG   9  -5.006   8.462   2.238
   68   1HH2  ARG   9          HH11      ARG   9  -2.892   6.848   4.464
   69   2HH2  ARG   9          HH12      ARG   9  -3.676   8.340   4.063
   70    H    LEU  10           HN       LEU  10  -2.643   0.186   2.674
   71    HA   LEU  10           HA       LEU  10  -0.153   0.718   3.986
   72   1HB   LEU  10          HB2       LEU  10  -2.118  -0.344   5.024
   73   2HB   LEU  10          HB1       LEU  10  -1.948  -1.732   3.949
   74    HG   LEU  10           HG       LEU  10   0.578  -1.506   5.051
   75   1HD1  LEU  10          HD11      LEU  10  -0.929  -1.528   7.536
   76   2HD1  LEU  10          HD12      LEU  10  -1.108   0.014   6.700
   77   3HD1  LEU  10          HD13      LEU  10   0.500  -0.585   7.108
   78   1HD2  LEU  10          HD21      LEU  10  -1.635  -3.150   6.290
   79   2HD2  LEU  10          HD22      LEU  10   0.063  -3.580   6.093
   80   3HD2  LEU  10          HD23      LEU  10  -0.999  -3.512   4.686
   81    H    PHE  11           HN       PHE  11  -1.114  -1.882   1.718
   82    HA   PHE  11           HA       PHE  11   1.335  -3.306   1.656
   83   1HB   PHE  11          HB2       PHE  11  -1.149  -3.088   0.189
   84   2HB   PHE  11          HB1       PHE  11   0.193  -3.312  -0.933
   85    HD1  PHE  11           HD1      PHE  11  -0.596  -4.573   2.517
   86    HD2  PHE  11           HD2      PHE  11   0.478  -5.542  -1.527
   87    HE1  PHE  11           HE1      PHE  11  -0.488  -6.976   3.121
   88    HE2  PHE  11           HE2      PHE  11   0.587  -7.945  -0.923
   89    HZ   PHE  11           HZ       PHE  11   0.104  -8.661   1.402
   90    H    ASN  12           HN       ASN  12   0.231  -0.644  -0.480
   91    HA   ASN  12           HA       ASN  12   2.635  -0.456  -2.023
   92   1HB   ASN  12          HB2       ASN  12   0.106   0.869  -1.684
   93   2HB   ASN  12          HB1       ASN  12   1.378   2.089  -1.764
   94   1HD2  ASN  12          HD21      ASN  12  -0.362   1.996  -3.923
   95   2HD2  ASN  12          HD22      ASN  12   0.407   1.316  -5.274
   96    H    ARG  13           HN       ARG  13   1.518   1.638   0.674
   97    HA   ARG  13           HA       ARG  13   3.879   3.167   0.966
   98   1HB   ARG  13          HB2       ARG  13   1.392   2.740   2.263
   99   2HB   ARG  13          HB1       ARG  13   2.636   2.594   3.506
  100   1HG   ARG  13          HG2       ARG  13   2.562   4.861   3.566
  101   2HG   ARG  13          HG1       ARG  13   3.514   4.776   2.083
  102   1HD   ARG  13          HD2       ARG  13   0.487   4.692   2.029
  103   2HD   ARG  13          HD1       ARG  13   1.391   6.219   1.963
  104    HE   ARG  13           HE       ARG  13   2.653   4.639   0.074
  105   1HH1  ARG  13          HH11      ARG  13  -0.444   3.777   0.269
  106   2HH1  ARG  13          HH12      ARG  13  -0.998   4.526  -1.192
  107   1HH2  ARG  13          HH21      ARG  13   1.884   6.403  -1.636
  108   2HH2  ARG  13          HH22      ARG  13   0.321   6.013  -2.270
  109    H    SER  14           HN       SER  14   2.954   0.121   2.607
  110    HA   SER  14           HA       SER  14   5.270  -0.164   4.230
  111   1HB   SER  14          HB2       SER  14   4.548  -2.513   4.316
  112   2HB   SER  14          HB1       SER  14   3.144  -1.451   4.377
  113    HG   SER  14           HG       SER  14   4.137  -3.004   2.238
  114    H    PHE  15           HN       PHE  15   4.611  -1.435   0.945
  115    HA   PHE  15           HA       PHE  15   7.100  -2.765   0.560
  116   1HB   PHE  15          HB2       PHE  15   4.733  -2.241  -0.831
  117   2HB   PHE  15          HB1       PHE  15   5.987  -1.497  -1.824
  118    HD1  PHE  15           HD1      PHE  15   5.304  -4.652   0.086
  119    HD2  PHE  15           HD2      PHE  15   7.193  -2.830  -3.314
  120    HE1  PHE  15           HE1      PHE  15   5.986  -6.891  -0.736
  121    HE2  PHE  15           HE2      PHE  15   7.875  -5.068  -4.135
  122    HZ   PHE  15           HZ       PHE  15   7.273  -7.099  -2.846
  123    H    THR  16           HN       THR  16   6.111   0.569  -0.306
  124    HA   THR  16           HA       THR  16   8.581   1.381  -1.479
  125    HB   THR  16           HB       THR  16   6.306   2.786  -0.067
  126    HG1  THR  16           HG1      THR  16   5.575   2.352  -1.990
  127   1HG2  THR  16          HG21      THR  16   8.935   3.840  -0.874
  128   2HG2  THR  16          HG22      THR  16   7.733   4.527   0.219
  129   3HG2  THR  16          HG23      THR  16   7.565   4.741  -1.523
  130    H    GLN  17           HN       GLN  17   7.365   2.097   1.824
  131    HA   GLN  17           HA       GLN  17   9.777   3.212   2.832
  132   1HB   GLN  17          HB2       GLN  17   8.702   2.892   4.978
  133   2HB   GLN  17          HB1       GLN  17   7.437   3.253   3.802
  134   1HG   GLN  17          HG2       GLN  17   6.959   0.852   3.558
  135   2HG   GLN  17          HG1       GLN  17   8.239   0.473   4.712
  136   1HE2  GLN  17          HE21      GLN  17   6.562  -0.503   6.142
  137   2HE2  GLN  17          HE22      GLN  17   5.556   0.500   7.071
  138    H    ALA  18           HN       ALA  18   8.646  -0.161   2.720
  139    HA   ALA  18           HA       ALA  18  10.702  -1.321   4.332
  140   1HB   ALA  18          HB1       ALA  18   8.856  -2.237   2.135
  141   2HB   ALA  18          HB2       ALA  18   8.813  -2.639   3.852
  142   3HB   ALA  18          HB3       ALA  18  10.046  -3.350   2.811
  143    H    LEU  19           HN       LEU  19  10.457  -1.234   0.749
  144    HA   LEU  19           HA       LEU  19  13.025  -2.252   0.165
  145   1HB   LEU  19          HB2       LEU  19  11.115  -0.347  -1.186
  146   2HB   LEU  19          HB1       LEU  19  12.642  -0.784  -1.952
  147    HG   LEU  19           HG       LEU  19  10.655  -2.832  -0.943
  148   1HD1  LEU  19          HD11      LEU  19   9.746  -1.341  -2.782
  149   2HD1  LEU  19          HD12      LEU  19   9.844  -3.052  -3.198
  150   3HD1  LEU  19          HD13      LEU  19  11.059  -1.925  -3.805
  151   1HD2  LEU  19          HD21      LEU  19  13.232  -2.866  -2.483
  152   2HD2  LEU  19          HD22      LEU  19  12.031  -4.119  -2.797
  153   3HD2  LEU  19          HD23      LEU  19  12.701  -3.924  -1.177
  154    H    GLY  20           HN       GLY  20  12.038   0.995   1.135
  155   1HA   GLY  20          HA2       GLY  20  14.619   2.202   0.491
  156   2HA   GLY  20          HA1       GLY  20  13.311   2.974   1.390
  157    H    LYS  21           HN       LYS  21  13.745   0.016   2.826
  158    HA   LYS  21           HA       LYS  21  16.132   0.234   4.338
  159   1HB   LYS  21          HB2       LYS  21  14.183   2.255   4.873
  160   2HB   LYS  21          HB1       LYS  21  14.264   1.203   6.286
  161   1HG   LYS  21          HG2       LYS  21  16.754   1.441   6.264
  162   2HG   LYS  21          HG1       LYS  21  16.595   2.601   4.944
  163   1HD   LYS  21          HD2       LYS  21  14.809   3.617   6.744
  164   2HD   LYS  21          HD1       LYS  21  16.026   2.937   7.824
  165   1HE   LYS  21          HE2       LYS  21  16.789   5.157   7.386
  166   2HE   LYS  21          HE1       LYS  21  17.757   4.143   6.297
  167   1HZ   LYS  21          HZ1       LYS  21  16.757   5.968   5.074
  168   2HZ   LYS  21          HZ2       LYS  21  15.208   5.510   5.604
  169   3HZ   LYS  21          HZ3       LYS  21  16.091   4.493   4.567
  170   1HN   NH2  22          1HN       NH2  22  16.267  -1.668   5.615
  171   2HN   NH2  22          2HN       NH2  22  14.941  -2.652   6.009
  Start of MODEL    4
    1   1H    SER   1          1H        SER   1  -7.030 -10.331  -7.446
    2   2H    SER   1          2H        SER   1  -5.784 -10.333  -6.291
    3   3H    SER   1          3H        SER   1  -6.480  -8.867  -6.791
    4    HA   SER   1           HA       SER   1  -8.271 -10.869  -5.621
    5   1HB   SER   1          HB2       SER   1  -7.474  -9.803  -3.369
    6   2HB   SER   1          HB1       SER   1  -6.503 -11.087  -4.083
    7    HG   SER   1           HG       SER   1  -5.132  -9.414  -3.596
    8    H    GLY   2           HN       GLY   2  -7.007  -7.523  -5.286
    9   1HA   GLY   2          HA2       GLY   2  -9.007  -6.013  -6.345
   10   2HA   GLY   2          HA1       GLY   2  -9.727  -6.514  -4.814
   11    H    SER   3           HN       SER   3  -8.006  -6.259  -2.907
   12    HA   SER   3           HA       SER   3  -6.717  -4.761  -1.606
   13   1HB   SER   3          HB2       SER   3  -5.672  -4.825  -4.226
   14   2HB   SER   3          HB1       SER   3  -5.744  -3.119  -3.790
   15    HG   SER   3           HG       SER   3  -4.025  -4.985  -2.974
   16    H    LEU   4           HN       LEU   4  -8.165  -3.428  -0.534
   17    HA   LEU   4           HA       LEU   4  -9.693  -1.376  -2.019
   18   1HB   LEU   4          HB2       LEU   4  -9.897  -2.920   0.401
   19   2HB   LEU   4          HB1       LEU   4 -10.020  -1.206   0.805
   20    HG   LEU   4           HG       LEU   4 -11.717  -0.990  -1.065
   21   1HD1  LEU   4          HD11      LEU   4 -10.944  -3.170  -2.149
   22   2HD1  LEU   4          HD12      LEU   4 -12.690  -2.963  -2.007
   23   3HD1  LEU   4          HD13      LEU   4 -11.829  -4.008  -0.876
   24   1HD2  LEU   4          HD21      LEU   4 -12.023  -2.377   1.521
   25   2HD2  LEU   4          HD22      LEU   4 -13.346  -2.662   0.390
   26   3HD2  LEU   4          HD23      LEU   4 -12.929  -1.015   0.863
   27    H    SER   5           HN       SER   5  -9.790   0.840  -0.719
   28    HA   SER   5           HA       SER   5  -7.464   2.307  -1.047
   29   1HB   SER   5          HB2       SER   5  -8.637   3.488   1.142
   30   2HB   SER   5          HB1       SER   5  -9.197   3.690  -0.516
   31    HG   SER   5           HG       SER   5 -10.801   2.319  -0.154
   32    H    THR   6           HN       THR   6  -8.494   1.631   2.294
   33    HA   THR   6           HA       THR   6  -6.096   1.987   3.614
   34    HB   THR   6           HB       THR   6  -7.167  -0.189   4.906
   35    HG1  THR   6           HG1      THR   6  -8.673  -0.334   3.115
   36   1HG2  THR   6          HG21      THR   6  -6.860   2.268   5.610
   37   2HG2  THR   6          HG22      THR   6  -8.224   1.396   6.311
   38   3HG2  THR   6          HG23      THR   6  -8.488   2.522   4.979
   39    H    PHE   7           HN       PHE   7  -7.194  -1.170   2.302
   40    HA   PHE   7           HA       PHE   7  -4.871  -2.671   2.859
   41   1HB   PHE   7          HB2       PHE   7  -7.060  -2.719   0.803
   42   2HB   PHE   7          HB1       PHE   7  -5.723  -3.860   0.650
   43    HD1  PHE   7           HD1      PHE   7  -7.537  -2.458   3.620
   44    HD2  PHE   7           HD2      PHE   7  -6.402  -5.961   1.409
   45    HE1  PHE   7           HE1      PHE   7  -8.558  -3.892   5.367
   46    HE2  PHE   7           HE2      PHE   7  -7.423  -7.394   3.156
   47    HZ   PHE   7           HZ       PHE   7  -8.501  -6.361   5.135
   48    H    PHE   8           HN       PHE   8  -5.665  -1.326  -0.372
   49    HA   PHE   8           HA       PHE   8  -3.221  -1.679  -1.643
   50   1HB   PHE   8          HB2       PHE   8  -5.152  -0.818  -2.788
   51   2HB   PHE   8          HB1       PHE   8  -5.227   0.589  -1.726
   52    HD1  PHE   8           HD1      PHE   8  -4.744   2.501  -2.981
   53    HD2  PHE   8           HD2      PHE   8  -2.376  -1.038  -3.539
   54    HE1  PHE   8           HE1      PHE   8  -3.248   3.744  -4.520
   55    HE2  PHE   8           HE2      PHE   8  -0.879   0.205  -5.077
   56    HZ   PHE   8           HZ       PHE   8  -1.316   2.596  -5.568
   57    H    ARG   9           HN       ARG   9  -4.154   1.305   0.124
   58    HA   ARG   9           HA       ARG   9  -1.712   2.676  -0.003
   59   1HB   ARG   9          HB2       ARG   9  -4.185   2.862   1.300
   60   2HB   ARG   9          HB1       ARG   9  -3.000   2.861   2.608
   61   1HG   ARG   9          HG2       ARG   9  -2.051   4.526   0.457
   62   2HG   ARG   9          HG1       ARG   9  -3.681   5.022   0.909
   63   1HD   ARG   9          HD2       ARG   9  -3.053   5.438   3.164
   64   2HD   ARG   9          HD1       ARG   9  -1.538   4.529   2.991
   65    HE   ARG   9           HE       ARG   9  -1.710   6.713   1.085
   66   1HH1  ARG   9          HH21      ARG   9   0.575   5.564   2.931
   67   2HH1  ARG   9          HH22      ARG   9   0.968   7.002   3.815
   68   1HH2  ARG   9          HH11      ARG   9  -1.886   8.705   2.830
   69   2HH2  ARG   9          HH12      ARG   9  -0.425   8.780   3.757
   70    H    LEU  10           HN       LEU  10  -2.769   0.518   2.667
   71    HA   LEU  10           HA       LEU  10  -0.429   0.514   4.205
   72   1HB   LEU  10          HB2       LEU  10  -2.820  -1.060   3.834
   73   2HB   LEU  10          HB1       LEU  10  -1.452  -2.131   4.142
   74    HG   LEU  10           HG       LEU  10  -2.469  -1.471   6.266
   75   1HD1  LEU  10          HD11      LEU  10  -0.486  -0.861   7.373
   76   2HD1  LEU  10          HD12      LEU  10   0.051   0.167   6.044
   77   3HD1  LEU  10          HD13      LEU  10   0.107  -1.588   5.879
   78   1HD2  LEU  10          HD21      LEU  10  -3.536   0.562   6.027
   79   2HD2  LEU  10          HD22      LEU  10  -2.263   1.229   5.005
   80   3HD2  LEU  10          HD23      LEU  10  -2.032   1.130   6.751
   81    H    PHE  11           HN       PHE  11  -1.230  -1.811   1.588
   82    HA   PHE  11           HA       PHE  11   1.188  -3.255   1.554
   83   1HB   PHE  11          HB2       PHE  11  -1.159  -3.203   0.161
   84   2HB   PHE  11          HB1       PHE  11  -0.042  -2.587  -1.058
   85    HD1  PHE  11           HD1      PHE  11   0.328  -5.119   1.687
   86    HD2  PHE  11           HD2      PHE  11   0.549  -4.305  -2.525
   87    HE1  PHE  11           HE1      PHE  11   1.164  -7.420   1.286
   88    HE2  PHE  11           HE2      PHE  11   1.384  -6.605  -2.926
   89    HZ   PHE  11           HZ       PHE  11   1.691  -8.162  -1.020
   90    H    ASN  12           HN       ASN  12   0.351  -0.418  -0.483
   91    HA   ASN  12           HA       ASN  12   2.879  -0.101  -1.728
   92   1HB   ASN  12          HB2       ASN  12   0.829   1.027  -2.432
   93   2HB   ASN  12          HB1       ASN  12   0.756   1.906  -0.904
   94   1HD2  ASN  12          HD21      ASN  12   3.778   1.314  -2.691
   95   2HD2  ASN  12          HD22      ASN  12   4.063   2.942  -3.081
   96    H    ARG  13           HN       ARG  13   1.647   1.253   1.338
   97    HA   ARG  13           HA       ARG  13   3.866   2.918   1.969
   98   1HB   ARG  13          HB2       ARG  13   1.434   2.202   3.059
   99   2HB   ARG  13          HB1       ARG  13   2.577   1.506   4.209
  100   1HG   ARG  13          HG2       ARG  13   3.409   4.169   3.406
  101   2HG   ARG  13          HG1       ARG  13   1.774   4.192   4.068
  102   1HD   ARG  13          HD2       ARG  13   4.106   2.815   5.443
  103   2HD   ARG  13          HD1       ARG  13   3.566   4.462   5.826
  104    HE   ARG  13           HE       ARG  13   2.193   2.036   6.599
  105   1HH1  ARG  13          HH11      ARG  13   2.148   5.390   6.654
  106   2HH1  ARG  13          HH12      ARG  13   0.438   5.541   6.888
  107   1HH2  ARG  13          HH21      ARG  13  -0.191   2.165   6.411
  108   2HH2  ARG  13          HH22      ARG  13  -0.886   3.714   6.751
  109    H    SER  14           HN       SER  14   3.203  -0.442   3.045
  110    HA   SER  14           HA       SER  14   5.661  -0.850   4.425
  111   1HB   SER  14          HB2       SER  14   3.318  -2.250   3.768
  112   2HB   SER  14          HB1       SER  14   4.623  -3.215   3.082
  113    HG   SER  14           HG       SER  14   4.657  -2.182   5.723
  114    H    PHE  15           HN       PHE  15   4.761  -1.630   1.047
  115    HA   PHE  15           HA       PHE  15   7.237  -2.785   0.252
  116   1HB   PHE  15          HB2       PHE  15   4.821  -2.437  -0.851
  117   2HB   PHE  15          HB1       PHE  15   5.650  -1.088  -1.629
  118    HD1  PHE  15           HD1      PHE  15   6.390  -1.620  -3.768
  119    HD2  PHE  15           HD2      PHE  15   6.619  -4.591  -0.674
  120    HE1  PHE  15           HE1      PHE  15   7.463  -3.193  -5.357
  121    HE2  PHE  15           HE2      PHE  15   7.692  -6.164  -2.264
  122    HZ   PHE  15           HZ       PHE  15   8.113  -5.464  -4.606
  123    H    THR  16           HN       THR  16   6.096   0.597  -0.122
  124    HA   THR  16           HA       THR  16   8.477   1.652  -1.267
  125    HB   THR  16           HB       THR  16   6.277   2.809   0.465
  126    HG1  THR  16           HG1      THR  16   5.316   2.680  -1.379
  127   1HG2  THR  16          HG21      THR  16   8.198   4.261   0.726
  128   2HG2  THR  16          HG22      THR  16   7.075   5.029  -0.396
  129   3HG2  THR  16          HG23      THR  16   8.518   4.219  -1.008
  130    H    GLN  17           HN       GLN  17   7.419   1.735   2.164
  131    HA   GLN  17           HA       GLN  17   9.713   2.925   3.285
  132   1HB   GLN  17          HB2       GLN  17   7.502   2.359   4.363
  133   2HB   GLN  17          HB1       GLN  17   8.037   0.681   4.452
  134   1HG   GLN  17          HG2       GLN  17   9.686   2.933   5.603
  135   2HG   GLN  17          HG1       GLN  17   8.428   2.130   6.542
  136   1HE2  GLN  17          HE21      GLN  17  11.714   1.930   5.618
  137   2HE2  GLN  17          HE22      GLN  17  11.997   0.329   6.107
  138    H    ALA  18           HN       ALA  18   9.065  -0.563   2.771
  139    HA   ALA  18           HA       ALA  18  11.569  -1.506   3.793
  140   1HB   ALA  18          HB1       ALA  18   9.735  -3.009   3.537
  141   2HB   ALA  18          HB2       ALA  18  10.905  -3.511   2.317
  142   3HB   ALA  18          HB3       ALA  18   9.501  -2.552   1.849
  143    H    LEU  19           HN       LEU  19  10.558  -1.394   0.352
  144    HA   LEU  19           HA       LEU  19  13.118  -1.777  -0.779
  145   1HB   LEU  19          HB2       LEU  19  10.512  -0.548  -1.600
  146   2HB   LEU  19          HB1       LEU  19  11.903  -0.341  -2.667
  147    HG   LEU  19           HG       LEU  19  10.480  -2.392  -3.139
  148   1HD1  LEU  19          HD11      LEU  19  12.483  -3.895  -3.348
  149   2HD1  LEU  19          HD12      LEU  19  13.401  -2.728  -2.396
  150   3HD1  LEU  19          HD13      LEU  19  12.757  -2.268  -3.972
  151   1HD2  LEU  19          HD21      LEU  19  10.831  -4.320  -1.617
  152   2HD2  LEU  19          HD22      LEU  19  10.014  -2.990  -0.794
  153   3HD2  LEU  19          HD23      LEU  19  11.732  -3.276  -0.518
  154    H    GLY  20           HN       GLY  20  11.827   0.996   0.837
  155   1HA   GLY  20          HA2       GLY  20  13.875   2.787  -0.365
  156   2HA   GLY  20          HA1       GLY  20  12.527   3.310   0.649
  157    H    LYS  21           HN       LYS  21  13.741   0.598   2.123
  158    HA   LYS  21           HA       LYS  21  14.990   0.338   4.114
  159   1HB   LYS  21          HB2       LYS  21  16.634   0.881   2.151
  160   2HB   LYS  21          HB1       LYS  21  16.804   2.444   2.951
  161   1HG   LYS  21          HG2       LYS  21  17.822   1.535   4.822
  162   2HG   LYS  21          HG1       LYS  21  17.040  -0.032   4.614
  163   1HD   LYS  21          HD2       LYS  21  18.731  -0.817   3.336
  164   2HD   LYS  21          HD1       LYS  21  18.775   0.652   2.362
  165   1HE   LYS  21          HE2       LYS  21  20.904   0.320   3.620
  166   2HE   LYS  21          HE1       LYS  21  20.068   1.794   4.147
  167   1HZ   LYS  21          HZ1       LYS  21  19.290  -0.692   5.451
  168   2HZ   LYS  21          HZ2       LYS  21  19.453   0.869   6.101
  169   3HZ   LYS  21          HZ3       LYS  21  20.828  -0.096   5.845
  170   1HN   NH2  22          1HN       NH2  22  13.008   2.764   3.831
  171   2HN   NH2  22          2HN       NH2  22  13.453   3.783   5.114
  Start of MODEL    5
    1   1H    SER   1          1H        SER   1 -16.168   5.318  -3.689
    2   2H    SER   1          2H        SER   1 -16.288   4.455  -5.147
    3   3H    SER   1          3H        SER   1 -15.447   5.931  -5.096
    4    HA   SER   1           HA       SER   1 -14.178   3.626  -5.018
    5   1HB   SER   1          HB2       SER   1 -12.673   5.213  -3.351
    6   2HB   SER   1          HB1       SER   1 -12.774   5.418  -5.098
    7    HG   SER   1           HG       SER   1 -13.293   7.283  -3.628
    8    H    GLY   2           HN       GLY   2 -12.582   3.453  -2.699
    9   1HA   GLY   2          HA2       GLY   2 -12.732   2.943  -0.328
   10   2HA   GLY   2          HA1       GLY   2 -14.477   2.759  -0.512
   11    H    SER   3           HN       SER   3 -12.091   1.343  -2.694
   12    HA   SER   3           HA       SER   3 -13.077  -1.361  -1.863
   13   1HB   SER   3          HB2       SER   3 -11.816  -0.302  -4.412
   14   2HB   SER   3          HB1       SER   3 -12.302  -1.977  -4.164
   15    HG   SER   3           HG       SER   3 -13.815   0.270  -4.659
   16    H    LEU   4           HN       LEU   4 -11.598  -2.019  -0.280
   17    HA   LEU   4           HA       LEU   4  -9.531  -2.731   0.617
   18   1HB   LEU   4          HB2       LEU   4  -9.236  -2.897  -2.379
   19   2HB   LEU   4          HB1       LEU   4  -7.890  -3.339  -1.327
   20    HG   LEU   4           HG       LEU   4 -10.114  -4.599  -0.186
   21   1HD1  LEU   4          HD11      LEU   4 -11.497  -5.367  -1.820
   22   2HD1  LEU   4          HD12      LEU   4 -10.173  -5.596  -2.961
   23   3HD1  LEU   4          HD13      LEU   4 -10.888  -3.998  -2.750
   24   1HD2  LEU   4          HD21      LEU   4  -8.559  -6.248  -2.054
   25   2HD2  LEU   4          HD22      LEU   4  -8.688  -6.361  -0.299
   26   3HD2  LEU   4          HD23      LEU   4  -7.552  -5.226  -1.028
   27    H    SER   5           HN       SER   5 -10.034   0.238  -0.282
   28    HA   SER   5           HA       SER   5  -7.724   1.544  -1.127
   29   1HB   SER   5          HB2       SER   5  -9.466   2.993  -0.735
   30   2HB   SER   5          HB1       SER   5 -10.013   2.105   0.685
   31    HG   SER   5           HG       SER   5  -8.646   4.318   0.653
   32    H    THR   6           HN       THR   6  -8.525   0.939   2.321
   33    HA   THR   6           HA       THR   6  -6.141   1.755   3.513
   34    HB   THR   6           HB       THR   6  -8.017  -0.553   4.085
   35    HG1  THR   6           HG1      THR   6  -8.482   1.874   4.196
   36   1HG2  THR   6          HG21      THR   6  -6.462  -1.299   5.541
   37   2HG2  THR   6          HG22      THR   6  -6.803   0.156   6.478
   38   3HG2  THR   6          HG23      THR   6  -5.465   0.139   5.329
   39    H    PHE   7           HN       PHE   7  -6.841  -1.625   2.519
   40    HA   PHE   7           HA       PHE   7  -4.302  -2.734   2.956
   41   1HB   PHE   7          HB2       PHE   7  -6.726  -3.491   1.885
   42   2HB   PHE   7          HB1       PHE   7  -5.660  -3.590   0.483
   43    HD1  PHE   7           HD1      PHE   7  -3.168  -4.540   1.268
   44    HD2  PHE   7           HD2      PHE   7  -6.971  -5.508   3.015
   45    HE1  PHE   7           HE1      PHE   7  -2.231  -6.669   2.128
   46    HE2  PHE   7           HE2      PHE   7  -6.035  -7.637   3.874
   47    HZ   PHE   7           HZ       PHE   7  -3.665  -8.218   3.431
   48    H    PHE   8           HN       PHE   8  -5.510  -1.214  -0.059
   49    HA   PHE   8           HA       PHE   8  -3.194  -1.492  -1.644
   50   1HB   PHE   8          HB2       PHE   8  -5.248  -0.710  -2.583
   51   2HB   PHE   8          HB1       PHE   8  -5.351   0.619  -1.428
   52    HD1  PHE   8           HD1      PHE   8  -4.602   2.737  -2.066
   53    HD2  PHE   8           HD2      PHE   8  -3.075  -0.732  -4.087
   54    HE1  PHE   8           HE1      PHE   8  -3.353   4.199  -3.632
   55    HE2  PHE   8           HE2      PHE   8  -1.826   0.731  -5.653
   56    HZ   PHE   8           HZ       PHE   8  -1.965   3.196  -5.425
   57    H    ARG   9           HN       ARG   9  -4.104   1.433   0.232
   58    HA   ARG   9           HA       ARG   9  -1.712   2.877  -0.065
   59   1HB   ARG   9          HB2       ARG   9  -4.094   3.144   1.252
   60   2HB   ARG   9          HB1       ARG   9  -2.986   2.931   2.608
   61   1HG   ARG   9          HG2       ARG   9  -2.151   4.802   0.439
   62   2HG   ARG   9          HG1       ARG   9  -3.433   5.339   1.525
   63   1HD   ARG   9          HD2       ARG   9  -1.951   4.772   3.474
   64   2HD   ARG   9          HD1       ARG   9  -0.648   4.421   2.321
   65    HE   ARG   9           HE       ARG   9  -2.019   7.081   2.324
   66   1HH1  ARG   9          HH21      ARG   9   0.463   5.541   0.839
   67   2HH1  ARG   9          HH22      ARG   9   1.718   6.628   1.334
   68   1HH2  ARG   9          HH11      ARG   9  -0.269   8.295   3.636
   69   2HH2  ARG   9          HH12      ARG   9   1.303   8.188   2.917
   70    H    LEU  10           HN       LEU  10  -2.546   0.580   2.561
   71    HA   LEU  10           HA       LEU  10  -0.114   0.702   3.999
   72   1HB   LEU  10          HB2       LEU  10  -2.417  -0.498   4.388
   73   2HB   LEU  10          HB1       LEU  10  -1.643  -1.855   3.568
   74    HG   LEU  10           HG       LEU  10   0.030  -0.596   5.638
   75   1HD1  LEU  10          HD11      LEU  10  -1.872  -2.366   6.938
   76   2HD1  LEU  10          HD12      LEU  10  -2.681  -0.947   6.273
   77   3HD1  LEU  10          HD13      LEU  10  -1.350  -0.750   7.415
   78   1HD2  LEU  10          HD21      LEU  10   0.787  -2.768   5.897
   79   2HD2  LEU  10          HD22      LEU  10   0.157  -2.878   4.254
   80   3HD2  LEU  10          HD23      LEU  10  -0.806  -3.468   5.609
   81    H    PHE  11           HN       PHE  11  -1.025  -1.441   1.282
   82    HA   PHE  11           HA       PHE  11   1.395  -2.941   1.160
   83   1HB   PHE  11          HB2       PHE  11  -0.901  -3.234   0.003
   84   2HB   PHE  11          HB1       PHE  11  -0.286  -2.110  -1.210
   85    HD1  PHE  11           HD1      PHE  11   1.397  -4.840   0.731
   86    HD2  PHE  11           HD2      PHE  11   0.259  -3.336  -3.129
   87    HE1  PHE  11           HE1      PHE  11   2.640  -6.689  -0.358
   88    HE2  PHE  11           HE2      PHE  11   1.502  -5.185  -4.216
   89    HZ   PHE  11           HZ       PHE  11   2.693  -6.862  -2.830
   90    H    ASN  12           HN       ASN  12   0.428  -0.007  -0.663
   91    HA   ASN  12           HA       ASN  12   2.847   0.334  -2.119
   92   1HB   ASN  12          HB2       ASN  12   0.388   1.568  -1.851
   93   2HB   ASN  12          HB1       ASN  12   1.494   2.785  -1.213
   94   1HD2  ASN  12          HD21      ASN  12   2.411   4.113  -2.779
   95   2HD2  ASN  12          HD22      ASN  12   2.600   3.706  -4.416
   96    H    ARG  13           HN       ARG  13   1.834   2.068   0.859
   97    HA   ARG  13           HA       ARG  13   4.319   3.340   1.375
   98   1HB   ARG  13          HB2       ARG  13   1.836   3.382   2.419
   99   2HB   ARG  13          HB1       ARG  13   2.629   2.384   3.639
  100   1HG   ARG  13          HG2       ARG  13   4.314   4.094   4.019
  101   2HG   ARG  13          HG1       ARG  13   3.672   5.070   2.697
  102   1HD   ARG  13          HD2       ARG  13   2.832   5.958   4.822
  103   2HD   ARG  13          HD1       ARG  13   1.483   5.200   3.953
  104    HE   ARG  13           HE       ARG  13   2.828   3.251   5.591
  105   1HH1  ARG  13          HH11      ARG  13  -0.043   4.865   5.161
  106   2HH1  ARG  13          HH12      ARG  13  -0.535   4.830   6.821
  107   1HH2  ARG  13          HH21      ARG  13   2.519   3.664   7.977
  108   2HH2  ARG  13          HH22      ARG  13   0.916   4.150   8.416
  109    H    SER  14           HN       SER  14   3.055   0.221   2.603
  110    HA   SER  14           HA       SER  14   5.237  -0.494   4.259
  111   1HB   SER  14          HB2       SER  14   4.354  -2.780   3.915
  112   2HB   SER  14          HB1       SER  14   3.040  -1.626   4.128
  113    HG   SER  14           HG       SER  14   3.339  -3.268   2.152
  114    H    PHE  15           HN       PHE  15   4.692  -1.303   0.807
  115    HA   PHE  15           HA       PHE  15   7.137  -2.705   0.383
  116   1HB   PHE  15          HB2       PHE  15   4.882  -1.705  -1.077
  117   2HB   PHE  15          HB1       PHE  15   6.346  -1.263  -1.956
  118    HD1  PHE  15           HD1      PHE  15   7.688  -2.910  -3.053
  119    HD2  PHE  15           HD2      PHE  15   4.478  -4.108  -0.463
  120    HE1  PHE  15           HE1      PHE  15   7.919  -5.247  -3.850
  121    HE2  PHE  15           HE2      PHE  15   4.709  -6.446  -1.259
  122    HZ   PHE  15           HZ       PHE  15   6.429  -7.015  -2.952
  123    H    THR  16           HN       THR  16   6.337   0.729  -0.288
  124    HA   THR  16           HA       THR  16   8.885   1.557  -1.203
  125    HB   THR  16           HB       THR  16   6.855   3.083   0.461
  126    HG1  THR  16           HG1      THR  16   6.914   2.181  -2.172
  127   1HG2  THR  16          HG21      THR  16   9.327   3.909  -0.392
  128   2HG2  THR  16          HG22      THR  16   7.956   4.983  -0.108
  129   3HG2  THR  16          HG23      THR  16   8.300   4.405  -1.739
  130    H    GLN  17           HN       GLN  17   7.568   1.613   2.129
  131    HA   GLN  17           HA       GLN  17   9.931   2.656   3.376
  132   1HB   GLN  17          HB2       GLN  17   7.792   2.723   4.473
  133   2HB   GLN  17          HB1       GLN  17   7.590   0.977   4.316
  134   1HG   GLN  17          HG2       GLN  17  10.056   1.379   5.649
  135   2HG   GLN  17          HG1       GLN  17   8.889   2.453   6.422
  136   1HE2  GLN  17          HE21      GLN  17  10.064  -0.124   7.470
  137   2HE2  GLN  17          HE22      GLN  17   8.729  -1.117   7.806
  138    H    ALA  18           HN       ALA  18   8.743  -0.706   3.015
  139    HA   ALA  18           HA       ALA  18  10.829  -2.049   4.362
  140   1HB   ALA  18          HB1       ALA  18   9.718  -3.181   1.832
  141   2HB   ALA  18          HB2       ALA  18   8.564  -2.738   3.090
  142   3HB   ALA  18          HB3       ALA  18   9.833  -3.916   3.430
  143    H    LEU  19           HN       LEU  19  10.618  -1.180   0.891
  144    HA   LEU  19           HA       LEU  19  13.102  -2.248   0.049
  145   1HB   LEU  19          HB2       LEU  19  11.037  -1.025  -1.124
  146   2HB   LEU  19          HB1       LEU  19  12.111   0.370  -1.013
  147    HG   LEU  19           HG       LEU  19  12.426  -0.817  -3.154
  148   1HD1  LEU  19          HD11      LEU  19  14.771  -1.225  -1.272
  149   2HD1  LEU  19          HD12      LEU  19  14.346   0.315  -2.021
  150   3HD1  LEU  19          HD13      LEU  19  14.851  -1.043  -3.025
  151   1HD2  LEU  19          HD21      LEU  19  11.914  -3.087  -1.781
  152   2HD2  LEU  19          HD22      LEU  19  13.676  -3.146  -1.784
  153   3HD2  LEU  19          HD23      LEU  19  12.794  -3.080  -3.310
  154    H    GLY  20           HN       GLY  20  12.370   1.059   1.224
  155   1HA   GLY  20          HA2       GLY  20  14.091   1.962   2.867
  156   2HA   GLY  20          HA1       GLY  20  15.305   1.403   1.713
  157    H    LYS  21           HN       LYS  21  12.751   2.454  -0.127
  158    HA   LYS  21           HA       LYS  21  14.006   4.603  -1.365
  159   1HB   LYS  21          HB2       LYS  21  11.180   3.761  -0.851
  160   2HB   LYS  21          HB1       LYS  21  11.446   5.341  -1.588
  161   1HG   LYS  21          HG2       LYS  21  12.622   4.388  -3.439
  162   2HG   LYS  21          HG1       LYS  21  12.744   2.820  -2.640
  163   1HD   LYS  21          HD2       LYS  21  10.806   2.210  -3.604
  164   2HD   LYS  21          HD1       LYS  21   9.986   3.490  -2.712
  165   1HE   LYS  21          HE2       LYS  21  11.434   4.636  -4.940
  166   2HE   LYS  21          HE1       LYS  21  10.342   3.357  -5.509
  167   1HZ   LYS  21          HZ1       LYS  21   8.514   4.398  -4.666
  168   2HZ   LYS  21          HZ2       LYS  21   9.451   5.768  -5.026
  169   3HZ   LYS  21          HZ3       LYS  21   9.376   5.182  -3.432
  170   1HN   NH2  22          1HN       NH2  22  12.349   4.629   1.777
  171   2HN   NH2  22          2HN       NH2  22  12.631   6.267   2.121
  Start of MODEL    6
    1   1H    SER   1          1H        SER   1 -13.554   1.041  -2.871
    2   2H    SER   1          2H        SER   1 -13.098   2.317  -3.897
    3   3H    SER   1          3H        SER   1 -11.912   1.399  -3.098
    4    HA   SER   1           HA       SER   1 -13.633   0.594  -5.372
    5   1HB   SER   1          HB2       SER   1 -11.314   1.806  -5.411
    6   2HB   SER   1          HB1       SER   1 -10.672   0.238  -4.933
    7    HG   SER   1           HG       SER   1 -10.686   0.272  -7.141
    8    H    GLY   2           HN       GLY   2 -14.694  -0.909  -3.640
    9   1HA   GLY   2          HA2       GLY   2 -14.989  -3.230  -3.212
   10   2HA   GLY   2          HA1       GLY   2 -13.358  -3.522  -3.821
   11    H    SER   3           HN       SER   3 -14.135  -1.126  -1.353
   12    HA   SER   3           HA       SER   3 -13.246  -0.905   0.833
   13   1HB   SER   3          HB2       SER   3 -13.740  -3.878   0.965
   14   2HB   SER   3          HB1       SER   3 -14.013  -2.666   2.214
   15    HG   SER   3           HG       SER   3 -15.970  -3.242   1.250
   16    H    LEU   4           HN       LEU   4 -11.225  -1.337  -1.170
   17    HA   LEU   4           HA       LEU   4  -9.273  -3.048   0.339
   18   1HB   LEU   4          HB2       LEU   4 -10.080  -2.830  -2.476
   19   2HB   LEU   4          HB1       LEU   4  -8.331  -2.763  -2.253
   20    HG   LEU   4           HG       LEU   4  -9.914  -4.848  -0.787
   21   1HD1  LEU   4          HD11      LEU   4 -10.179  -6.220  -2.615
   22   2HD1  LEU   4          HD12      LEU   4  -8.783  -5.544  -3.455
   23   3HD1  LEU   4          HD13      LEU   4 -10.314  -4.667  -3.439
   24   1HD2  LEU   4          HD21      LEU   4  -7.331  -5.460  -2.069
   25   2HD2  LEU   4          HD22      LEU   4  -7.857  -5.745  -0.410
   26   3HD2  LEU   4          HD23      LEU   4  -7.252  -4.157  -0.882
   27    H    SER   5           HN       SER   5 -10.073   0.113  -0.551
   28    HA   SER   5           HA       SER   5  -7.781   1.462  -1.296
   29   1HB   SER   5          HB2       SER   5  -9.867   2.089   0.808
   30   2HB   SER   5          HB1       SER   5  -8.684   3.275   0.261
   31    HG   SER   5           HG       SER   5  -9.474   2.850  -1.891
   32    H    THR   6           HN       THR   6  -8.616   1.053   2.169
   33    HA   THR   6           HA       THR   6  -6.234   1.817   3.351
   34    HB   THR   6           HB       THR   6  -7.394  -0.691   4.404
   35    HG1  THR   6           HG1      THR   6  -9.414  -0.083   4.362
   36   1HG2  THR   6          HG21      THR   6  -5.992   1.080   5.618
   37   2HG2  THR   6          HG22      THR   6  -7.466   0.552   6.429
   38   3HG2  THR   6          HG23      THR   6  -7.434   2.093   5.572
   39    H    PHE   7           HN       PHE   7  -6.969  -1.547   2.331
   40    HA   PHE   7           HA       PHE   7  -4.485  -2.730   2.881
   41   1HB   PHE   7          HB2       PHE   7  -6.723  -3.131   0.943
   42   2HB   PHE   7          HB1       PHE   7  -5.244  -4.052   0.670
   43    HD1  PHE   7           HD1      PHE   7  -4.376  -5.587   2.432
   44    HD2  PHE   7           HD2      PHE   7  -8.165  -3.600   2.810
   45    HE1  PHE   7           HE1      PHE   7  -5.024  -7.165   4.232
   46    HE2  PHE   7           HE2      PHE   7  -8.813  -5.178   4.610
   47    HZ   PHE   7           HZ       PHE   7  -7.242  -6.961   5.321
   48    H    PHE   8           HN       PHE   8  -5.500  -1.232  -0.219
   49    HA   PHE   8           HA       PHE   8  -3.062  -1.517  -1.619
   50   1HB   PHE   8          HB2       PHE   8  -5.472   0.218  -1.678
   51   2HB   PHE   8          HB1       PHE   8  -4.070   0.824  -2.560
   52    HD1  PHE   8           HD1      PHE   8  -3.536  -0.031  -4.688
   53    HD2  PHE   8           HD2      PHE   8  -6.200  -2.221  -2.126
   54    HE1  PHE   8           HE1      PHE   8  -4.012  -1.614  -6.536
   55    HE2  PHE   8           HE2      PHE   8  -6.675  -3.804  -3.975
   56    HZ   PHE   8           HZ       PHE   8  -5.582  -3.501  -6.179
   57    H    ARG   9           HN       ARG   9  -4.183   1.382   0.179
   58    HA   ARG   9           HA       ARG   9  -1.884   2.964  -0.021
   59   1HB   ARG   9          HB2       ARG   9  -3.981   2.531   2.103
   60   2HB   ARG   9          HB1       ARG   9  -2.699   3.719   2.343
   61   1HG   ARG   9          HG2       ARG   9  -4.404   3.672  -0.154
   62   2HG   ARG   9          HG1       ARG   9  -4.861   4.591   1.281
   63   1HD   ARG   9          HD2       ARG   9  -3.393   6.239   0.763
   64   2HD   ARG   9          HD1       ARG   9  -2.072   5.069   0.575
   65    HE   ARG   9           HE       ARG   9  -4.007   5.007  -1.620
   66   1HH1  ARG   9          HH21      ARG   9  -1.083   4.358  -1.872
   67   2HH1  ARG   9          HH22      ARG   9  -0.482   5.739  -2.727
   68   1HH2  ARG   9          HH11      ARG   9  -3.269   7.693  -2.061
   69   2HH2  ARG   9          HH12      ARG   9  -1.721   7.628  -2.833
   70    H    LEU  10           HN       LEU  10  -2.609   0.620   2.601
   71    HA   LEU  10           HA       LEU  10  -0.147   0.850   3.993
   72   1HB   LEU  10          HB2       LEU  10  -2.209  -0.280   4.782
   73   2HB   LEU  10          HB1       LEU  10  -1.959  -1.554   3.588
   74    HG   LEU  10           HG       LEU  10   0.469  -1.556   4.801
   75   1HD1  LEU  10          HD11      LEU  10   0.396  -0.379   6.722
   76   2HD1  LEU  10          HD12      LEU  10  -0.742  -1.581   7.331
   77   3HD1  LEU  10          HD13      LEU  10  -1.339  -0.112   6.558
   78   1HD2  LEU  10          HD21      LEU  10  -0.164  -3.643   5.570
   79   2HD2  LEU  10          HD22      LEU  10  -1.498  -3.336   4.458
   80   3HD2  LEU  10          HD23      LEU  10  -1.710  -3.061   6.187
   81    H    PHE  11           HN       PHE  11  -1.085  -1.475   1.431
   82    HA   PHE  11           HA       PHE  11   1.310  -2.946   1.259
   83   1HB   PHE  11          HB2       PHE  11  -1.021  -2.281  -0.413
   84   2HB   PHE  11          HB1       PHE  11   0.413  -2.719  -1.344
   85    HD1  PHE  11           HD1      PHE  11  -1.475  -3.841   1.704
   86    HD2  PHE  11           HD2      PHE  11   0.813  -4.978  -1.750
   87    HE1  PHE  11           HE1      PHE  11  -1.857  -6.232   2.239
   88    HE2  PHE  11           HE2      PHE  11   0.430  -7.369  -1.215
   89    HZ   PHE  11           HZ       PHE  11  -0.905  -7.996   0.779
   90    H    ASN  12           HN       ASN  12   0.428   0.023  -0.553
   91    HA   ASN  12           HA       ASN  12   2.903   0.313  -1.947
   92   1HB   ASN  12          HB2       ASN  12   0.423   1.652  -1.600
   93   2HB   ASN  12          HB1       ASN  12   1.687   2.840  -1.279
   94   1HD2  ASN  12          HD21      ASN  12   1.419   3.978  -3.307
   95   2HD2  ASN  12          HD22      ASN  12   1.827   3.273  -4.795
   96    H    ARG  13           HN       ARG  13   1.777   1.951   1.043
   97    HA   ARG  13           HA       ARG  13   4.140   3.378   1.639
   98   1HB   ARG  13          HB2       ARG  13   1.868   3.518   2.724
   99   2HB   ARG  13          HB1       ARG  13   2.242   2.021   3.580
  100   1HG   ARG  13          HG2       ARG  13   4.481   3.504   4.104
  101   2HG   ARG  13          HG1       ARG  13   3.242   4.759   4.053
  102   1HD   ARG  13          HD2       ARG  13   2.112   3.910   5.896
  103   2HD   ARG  13          HD1       ARG  13   2.655   2.247   5.590
  104    HE   ARG  13           HE       ARG  13   4.948   3.009   6.313
  105   1HH1  ARG  13          HH11      ARG  13   2.185   3.767   7.997
  106   2HH1  ARG  13          HH12      ARG  13   2.889   5.014   8.972
  107   1HH2  ARG  13          HH21      ARG  13   5.863   5.092   7.191
  108   2HH2  ARG  13          HH22      ARG  13   4.972   5.763   8.516
  109    H    SER  14           HN       SER  14   3.167   0.225   3.059
  110    HA   SER  14           HA       SER  14   5.564  -0.372   4.405
  111   1HB   SER  14          HB2       SER  14   3.675  -1.740   4.778
  112   2HB   SER  14          HB1       SER  14   3.408  -1.993   3.056
  113    HG   SER  14           HG       SER  14   5.287  -3.158   4.788
  114    H    PHE  15           HN       PHE  15   4.664  -1.192   1.036
  115    HA   PHE  15           HA       PHE  15   6.991  -2.612   0.296
  116   1HB   PHE  15          HB2       PHE  15   4.807  -1.084  -0.980
  117   2HB   PHE  15          HB1       PHE  15   6.262  -1.235  -1.965
  118    HD1  PHE  15           HD1      PHE  15   4.944  -3.630   0.572
  119    HD2  PHE  15           HD2      PHE  15   5.650  -2.847  -3.592
  120    HE1  PHE  15           HE1      PHE  15   4.337  -5.972   0.029
  121    HE2  PHE  15           HE2      PHE  15   5.043  -5.189  -4.135
  122    HZ   PHE  15           HZ       PHE  15   4.387  -6.752  -2.324
  123    H    THR  16           HN       THR  16   6.344   0.893  -0.143
  124    HA   THR  16           HA       THR  16   8.911   1.601  -1.140
  125    HB   THR  16           HB       THR  16   8.155   3.869  -0.046
  126    HG1  THR  16           HG1      THR  16   6.706   3.153   1.422
  127   1HG2  THR  16          HG21      THR  16   6.118   3.791  -1.771
  128   2HG2  THR  16          HG22      THR  16   6.909   2.291  -2.251
  129   3HG2  THR  16          HG23      THR  16   7.793   3.815  -2.322
  130    H    GLN  17           HN       GLN  17   7.692   1.404   2.206
  131    HA   GLN  17           HA       GLN  17  10.043   2.465   3.478
  132   1HB   GLN  17          HB2       GLN  17   7.563   0.996   4.171
  133   2HB   GLN  17          HB1       GLN  17   8.888   0.818   5.321
  134   1HG   GLN  17          HG2       GLN  17   8.995   3.499   4.836
  135   2HG   GLN  17          HG1       GLN  17   7.264   3.202   4.673
  136   1HE2  GLN  17          HE21      GLN  17   8.154   4.724   6.865
  137   2HE2  GLN  17          HE22      GLN  17   7.978   3.820   8.292
  138    H    ALA  18           HN       ALA  18   8.945  -0.924   3.032
  139    HA   ALA  18           HA       ALA  18  11.229  -2.196   4.142
  140   1HB   ALA  18          HB1       ALA  18   9.887  -3.427   1.794
  141   2HB   ALA  18          HB2       ALA  18   8.827  -2.936   3.115
  142   3HB   ALA  18          HB3       ALA  18  10.136  -4.080   3.413
  143    H    LEU  19           HN       LEU  19  10.512  -1.510   0.692
  144    HA   LEU  19           HA       LEU  19  12.850  -2.452  -0.503
  145   1HB   LEU  19          HB2       LEU  19  10.672  -0.704  -1.084
  146   2HB   LEU  19          HB1       LEU  19  12.149   0.096  -1.625
  147    HG   LEU  19           HG       LEU  19  12.686  -2.340  -2.569
  148   1HD1  LEU  19          HD11      LEU  19   9.682  -2.234  -2.860
  149   2HD1  LEU  19          HD12      LEU  19  10.452  -3.123  -1.545
  150   3HD1  LEU  19          HD13      LEU  19  10.769  -3.575  -3.221
  151   1HD2  LEU  19          HD21      LEU  19  10.836  -0.292  -3.827
  152   2HD2  LEU  19          HD22      LEU  19  11.609  -1.600  -4.722
  153   3HD2  LEU  19          HD23      LEU  19  12.594  -0.351  -3.958
  154    H    GLY  20           HN       GLY  20  12.375   0.613   1.240
  155   1HA   GLY  20          HA2       GLY  20  15.111   1.510   0.669
  156   2HA   GLY  20          HA1       GLY  20  13.944   2.336   1.703
  157    H    LYS  21           HN       LYS  21  13.902  -0.835   2.680
  158    HA   LYS  21           HA       LYS  21  16.336  -0.892   4.294
  159   1HB   LYS  21          HB2       LYS  21  14.387   0.801   5.170
  160   2HB   LYS  21          HB1       LYS  21  13.914  -0.687   5.989
  161   1HG   LYS  21          HG2       LYS  21  16.587   0.726   6.146
  162   2HG   LYS  21          HG1       LYS  21  15.436   0.459   7.456
  163   1HD   LYS  21          HD2       LYS  21  15.767  -2.081   6.823
  164   2HD   LYS  21          HD1       LYS  21  17.281  -1.498   6.130
  165   1HE   LYS  21          HE2       LYS  21  17.017  -0.266   8.686
  166   2HE   LYS  21          HE1       LYS  21  16.686  -1.997   8.895
  167   1HZ   LYS  21          HZ1       LYS  21  19.064  -1.582   8.961
  168   2HZ   LYS  21          HZ2       LYS  21  19.002  -0.825   7.442
  169   3HZ   LYS  21          HZ3       LYS  21  18.669  -2.486   7.582
  170   1HN   NH2  22          1HN       NH2  22  16.329  -3.111   3.341
  171   2HN   NH2  22          2HN       NH2  22  15.287  -4.304   3.949
  Start of MODEL    7
    1   1H    SER   1          1H        SER   1 -15.570  -8.914   1.048
    2   2H    SER   1          2H        SER   1 -16.046  -8.182  -0.411
    3   3H    SER   1          3H        SER   1 -16.495  -7.493   1.076
    4    HA   SER   1           HA       SER   1 -14.088  -7.129   1.567
    5   1HB   SER   1          HB2       SER   1 -12.517  -7.714  -0.069
    6   2HB   SER   1          HB1       SER   1 -13.694  -9.014  -0.231
    7    HG   SER   1           HG       SER   1 -13.145  -6.853  -1.901
    8    H    GLY   2           HN       GLY   2 -14.681  -4.974   1.819
    9   1HA   GLY   2          HA2       GLY   2 -15.054  -3.402  -0.696
   10   2HA   GLY   2          HA1       GLY   2 -16.069  -3.107   0.715
   11    H    SER   3           HN       SER   3 -12.716  -3.937   1.161
   12    HA   SER   3           HA       SER   3 -12.129  -1.069   1.830
   13   1HB   SER   3          HB2       SER   3 -10.952  -1.908   3.792
   14   2HB   SER   3          HB1       SER   3 -12.575  -2.591   3.781
   15    HG   SER   3           HG       SER   3 -11.775  -4.516   3.244
   16    H    LEU   4           HN       LEU   4 -11.424  -1.806  -0.670
   17    HA   LEU   4           HA       LEU   4  -8.827  -3.119  -0.831
   18   1HB   LEU   4          HB2       LEU   4 -10.542  -3.115  -2.623
   19   2HB   LEU   4          HB1       LEU   4 -10.364  -1.366  -2.778
   20    HG   LEU   4           HG       LEU   4  -7.759  -2.543  -2.903
   21   1HD1  LEU   4          HD11      LEU   4  -9.658  -3.657  -4.982
   22   2HD1  LEU   4          HD12      LEU   4  -9.121  -4.583  -3.581
   23   3HD1  LEU   4          HD13      LEU   4  -7.947  -4.032  -4.776
   24   1HD2  LEU   4          HD21      LEU   4  -9.587  -0.907  -4.608
   25   2HD2  LEU   4          HD22      LEU   4  -8.191  -1.647  -5.392
   26   3HD2  LEU   4          HD23      LEU   4  -7.959  -0.542  -4.037
   27    H    SER   5           HN       SER   5  -9.973   0.212  -0.569
   28    HA   SER   5           HA       SER   5  -7.622   1.602  -1.358
   29   1HB   SER   5          HB2       SER   5  -9.598   2.846  -1.040
   30   2HB   SER   5          HB1       SER   5  -9.923   2.102   0.522
   31    HG   SER   5           HG       SER   5  -9.024   4.333   0.471
   32    H    THR   6           HN       THR   6  -8.659   1.099   2.037
   33    HA   THR   6           HA       THR   6  -6.354   1.791   3.387
   34    HB   THR   6           HB       THR   6  -7.095   0.006   5.030
   35    HG1  THR   6           HG1      THR   6  -8.541  -1.424   4.417
   36   1HG2  THR   6          HG21      THR   6  -9.680   1.096   4.440
   37   2HG2  THR   6          HG22      THR   6  -8.458   2.318   4.091
   38   3HG2  THR   6          HG23      THR   6  -8.543   1.588   5.694
   39    H    PHE   7           HN       PHE   7  -7.026  -1.572   2.319
   40    HA   PHE   7           HA       PHE   7  -4.536  -2.717   2.918
   41   1HB   PHE   7          HB2       PHE   7  -6.867  -3.231   1.257
   42   2HB   PHE   7          HB1       PHE   7  -5.400  -3.842   0.491
   43    HD1  PHE   7           HD1      PHE   7  -5.693  -6.194   0.822
   44    HD2  PHE   7           HD2      PHE   7  -5.974  -3.486   4.145
   45    HE1  PHE   7           HE1      PHE   7  -5.672  -8.116   2.390
   46    HE2  PHE   7           HE2      PHE   7  -5.953  -5.408   5.713
   47    HZ   PHE   7           HZ       PHE   7  -5.801  -7.723   4.835
   48    H    PHE   8           HN       PHE   8  -5.517  -1.169  -0.165
   49    HA   PHE   8           HA       PHE   8  -3.093  -1.471  -1.582
   50   1HB   PHE   8          HB2       PHE   8  -5.334  -0.622  -2.380
   51   2HB   PHE   8          HB1       PHE   8  -4.966   0.917  -1.599
   52    HD1  PHE   8           HD1      PHE   8  -4.671   2.403  -3.419
   53    HD2  PHE   8           HD2      PHE   8  -2.639  -1.381  -3.396
   54    HE1  PHE   8           HE1      PHE   8  -3.356   3.098  -5.403
   55    HE2  PHE   8           HE2      PHE   8  -1.322  -0.686  -5.380
   56    HZ   PHE   8           HZ       PHE   8  -1.681   1.553  -6.384
   57    H    ARG   9           HN       ARG   9  -4.124   1.420   0.286
   58    HA   ARG   9           HA       ARG   9  -1.731   2.891   0.124
   59   1HB   ARG   9          HB2       ARG   9  -4.028   3.485   1.090
   60   2HB   ARG   9          HB1       ARG   9  -3.505   2.679   2.568
   61   1HG   ARG   9          HG2       ARG   9  -2.624   4.682   3.149
   62   2HG   ARG   9          HG1       ARG   9  -1.355   4.312   1.981
   63   1HD   ARG   9          HD2       ARG   9  -2.098   6.412   1.228
   64   2HD   ARG   9          HD1       ARG   9  -3.092   5.318   0.245
   65    HE   ARG   9           HE       ARG   9  -4.675   5.551   2.408
   66   1HH1  ARG   9          HH21      ARG   9  -2.680   8.062   2.610
   67   2HH1  ARG   9          HH22      ARG   9  -3.800   9.304   2.160
   68   1HH2  ARG   9          HH11      ARG   9  -6.203   7.088   1.005
   69   2HH2  ARG   9          HH12      ARG   9  -5.794   8.753   1.252
   70    H    LEU  10           HN       LEU  10  -2.696   0.664   2.771
   71    HA   LEU  10           HA       LEU  10  -0.353   0.753   4.312
   72   1HB   LEU  10          HB2       LEU  10  -2.482  -0.406   4.858
   73   2HB   LEU  10          HB1       LEU  10  -2.109  -1.635   3.648
   74    HG   LEU  10           HG       LEU  10   0.119  -1.218   5.479
   75   1HD1  LEU  10          HD11      LEU  10  -2.591  -1.400   6.594
   76   2HD1  LEU  10          HD12      LEU  10  -1.076  -0.973   7.389
   77   3HD1  LEU  10          HD13      LEU  10  -1.512  -2.669   7.174
   78   1HD2  LEU  10          HD21      LEU  10   0.367  -3.439   5.070
   79   2HD2  LEU  10          HD22      LEU  10  -0.902  -3.216   3.867
   80   3HD2  LEU  10          HD23      LEU  10  -1.311  -3.788   5.484
   81    H    PHE  11           HN       PHE  11  -1.069  -1.494   1.608
   82    HA   PHE  11           HA       PHE  11   1.407  -2.879   1.596
   83   1HB   PHE  11          HB2       PHE  11  -0.976  -2.696   0.089
   84   2HB   PHE  11          HB1       PHE  11   0.338  -2.440  -1.058
   85    HD1  PHE  11           HD1      PHE  11  -1.131  -4.786   1.386
   86    HD2  PHE  11           HD2      PHE  11   1.960  -4.183  -1.537
   87    HE1  PHE  11           HE1      PHE  11  -0.630  -7.215   1.413
   88    HE2  PHE  11           HE2      PHE  11   2.460  -6.612  -1.508
   89    HZ   PHE  11           HZ       PHE  11   1.165  -8.128  -0.034
   90    H    ASN  12           HN       ASN  12   0.435  -0.127  -0.498
   91    HA   ASN  12           HA       ASN  12   2.866   0.329  -1.807
   92   1HB   ASN  12          HB2       ASN  12   0.395   1.523  -1.583
   93   2HB   ASN  12          HB1       ASN  12   1.454   2.745  -0.877
   94   1HD2  ASN  12          HD21      ASN  12   3.581   3.085  -2.289
   95   2HD2  ASN  12          HD22      ASN  12   3.332   3.168  -3.966
   96    H    ARG  13           HN       ARG  13   1.813   1.766   1.307
   97    HA   ARG  13           HA       ARG  13   4.172   3.248   1.857
   98   1HB   ARG  13          HB2       ARG  13   1.741   2.383   3.148
   99   2HB   ARG  13          HB1       ARG  13   3.088   2.238   4.278
  100   1HG   ARG  13          HG2       ARG  13   2.864   4.727   2.623
  101   2HG   ARG  13          HG1       ARG  13   1.801   4.537   4.018
  102   1HD   ARG  13          HD2       ARG  13   3.682   4.295   5.518
  103   2HD   ARG  13          HD1       ARG  13   4.818   4.215   4.156
  104    HE   ARG  13           HE       ARG  13   3.192   6.645   4.811
  105   1HH1  ARG  13          HH11      ARG  13   5.032   5.520   2.320
  106   2HH1  ARG  13          HH12      ARG  13   6.242   6.758   2.381
  107   1HH2  ARG  13          HH21      ARG  13   5.143   8.050   5.405
  108   2HH2  ARG  13          HH22      ARG  13   6.306   8.190   4.128
  109    H    SER  14           HN       SER  14   3.285  -0.038   2.997
  110    HA   SER  14           HA       SER  14   5.746  -0.601   4.325
  111   1HB   SER  14          HB2       SER  14   4.833  -2.760   4.498
  112   2HB   SER  14          HB1       SER  14   3.397  -1.770   4.252
  113    HG   SER  14           HG       SER  14   4.854  -3.224   2.292
  114    H    PHE  15           HN       PHE  15   4.684  -1.333   0.986
  115    HA   PHE  15           HA       PHE  15   6.983  -2.749   0.121
  116   1HB   PHE  15          HB2       PHE  15   4.665  -1.349  -0.989
  117   2HB   PHE  15          HB1       PHE  15   6.066  -1.276  -2.058
  118    HD1  PHE  15           HD1      PHE  15   5.708  -2.867  -3.748
  119    HD2  PHE  15           HD2      PHE  15   4.979  -3.928   0.350
  120    HE1  PHE  15           HE1      PHE  15   5.317  -5.220  -4.426
  121    HE2  PHE  15           HE2      PHE  15   4.588  -6.281  -0.328
  122    HZ   PHE  15           HZ       PHE  15   4.756  -6.927  -2.716
  123    H    THR  16           HN       THR  16   6.282   0.760  -0.075
  124    HA   THR  16           HA       THR  16   8.794   1.489  -1.269
  125    HB   THR  16           HB       THR  16   8.074   3.755  -0.594
  126    HG1  THR  16           HG1      THR  16   7.095   3.826   1.250
  127   1HG2  THR  16          HG21      THR  16   6.323   1.792  -1.906
  128   2HG2  THR  16          HG22      THR  16   6.808   3.402  -2.439
  129   3HG2  THR  16          HG23      THR  16   5.472   3.214  -1.303
  130    H    GLN  17           HN       GLN  17   7.668   1.929   2.114
  131    HA   GLN  17           HA       GLN  17  10.136   2.755   3.221
  132   1HB   GLN  17          HB2       GLN  17   7.518   1.935   4.048
  133   2HB   GLN  17          HB1       GLN  17   8.698   1.126   5.081
  134   1HG   GLN  17          HG2       GLN  17   8.941   4.069   4.477
  135   2HG   GLN  17          HG1       GLN  17   7.893   3.497   5.776
  136   1HE2  GLN  17          HE21      GLN  17  11.294   3.435   4.642
  137   2HE2  GLN  17          HE22      GLN  17  11.964   3.148   6.175
  138    H    ALA  18           HN       ALA  18   8.950  -0.484   2.451
  139    HA   ALA  18           HA       ALA  18  11.049  -1.898   3.894
  140   1HB   ALA  18          HB1       ALA  18   8.866  -2.886   3.421
  141   2HB   ALA  18          HB2       ALA  18  10.106  -3.820   2.585
  142   3HB   ALA  18          HB3       ALA  18   9.112  -2.671   1.689
  143    H    LEU  19           HN       LEU  19  10.392  -1.719   0.370
  144    HA   LEU  19           HA       LEU  19  12.884  -2.681  -0.524
  145   1HB   LEU  19          HB2       LEU  19  10.634  -2.044  -1.712
  146   2HB   LEU  19          HB1       LEU  19  11.395  -0.467  -1.920
  147    HG   LEU  19           HG       LEU  19  13.023  -2.861  -2.629
  148   1HD1  LEU  19          HD11      LEU  19  11.940  -2.688  -4.971
  149   2HD1  LEU  19          HD12      LEU  19  10.591  -1.909  -4.145
  150   3HD1  LEU  19          HD13      LEU  19  11.045  -3.560  -3.727
  151   1HD2  LEU  19          HD21      LEU  19  13.640  -1.258  -4.504
  152   2HD2  LEU  19          HD22      LEU  19  14.026  -0.688  -2.881
  153   3HD2  LEU  19          HD23      LEU  19  12.606  -0.064  -3.720
  154    H    GLY  20           HN       GLY  20  12.084   0.411   0.867
  155   1HA   GLY  20          HA2       GLY  20  14.634   1.606  -0.084
  156   2HA   GLY  20          HA1       GLY  20  13.340   2.475   0.746
  157    H    LYS  21           HN       LYS  21  13.694  -0.376   2.405
  158    HA   LYS  21           HA       LYS  21  16.089   0.032   3.931
  159   1HB   LYS  21          HB2       LYS  21  13.929   1.861   4.380
  160   2HB   LYS  21          HB1       LYS  21  14.108   0.856   5.819
  161   1HG   LYS  21          HG2       LYS  21  16.176   1.695   6.315
  162   2HG   LYS  21          HG1       LYS  21  16.631   1.851   4.618
  163   1HD   LYS  21          HD2       LYS  21  14.469   3.650   5.104
  164   2HD   LYS  21          HD1       LYS  21  15.665   3.887   6.379
  165   1HE   LYS  21          HE2       LYS  21  16.606   3.658   3.531
  166   2HE   LYS  21          HE1       LYS  21  15.944   5.199   4.112
  167   1HZ   LYS  21          HZ1       LYS  21  17.897   3.700   5.736
  168   2HZ   LYS  21          HZ2       LYS  21  17.524   5.357   5.775
  169   3HZ   LYS  21          HZ3       LYS  21  18.433   4.717   4.490
  170   1HN   NH2  22          1HN       NH2  22  16.037  -2.335   3.909
  171   2HN   NH2  22          2HN       NH2  22  14.926  -3.217   4.840
  Start of MODEL    8
    1   1H    SER   1          1H        SER   1 -10.693   0.364  -6.845
    2   2H    SER   1          2H        SER   1  -9.300   0.423  -7.814
    3   3H    SER   1          3H        SER   1 -10.813   0.101  -8.516
    4    HA   SER   1           HA       SER   1  -9.727   2.510  -8.582
    5   1HB   SER   1          HB2       SER   1 -12.322   3.142  -8.524
    6   2HB   SER   1          HB1       SER   1 -11.658   2.139  -9.810
    7    HG   SER   1           HG       SER   1 -13.479   1.525  -7.926
    8    H    GLY   2           HN       GLY   2 -11.932   1.502  -5.941
    9   1HA   GLY   2          HA2       GLY   2 -10.576   3.225  -4.034
   10   2HA   GLY   2          HA1       GLY   2 -12.146   3.871  -4.513
   11    H    SER   3           HN       SER   3 -11.214   0.463  -4.102
   12    HA   SER   3           HA       SER   3 -13.409   0.223  -2.077
   13   1HB   SER   3          HB2       SER   3 -13.430  -1.011  -4.325
   14   2HB   SER   3          HB1       SER   3 -12.082  -1.959  -3.704
   15    HG   SER   3           HG       SER   3 -13.673  -2.142  -1.788
   16    H    LEU   4           HN       LEU   4 -10.149  -1.053  -2.852
   17    HA   LEU   4           HA       LEU   4  -9.816  -1.865  -0.005
   18   1HB   LEU   4          HB2       LEU   4  -8.257  -2.368  -2.559
   19   2HB   LEU   4          HB1       LEU   4  -7.798  -3.014  -0.984
   20    HG   LEU   4           HG       LEU   4 -10.603  -3.459  -1.913
   21   1HD1  LEU   4          HD11      LEU   4  -8.312  -4.238  -3.453
   22   2HD1  LEU   4          HD12      LEU   4 -10.008  -4.622  -3.745
   23   3HD1  LEU   4          HD13      LEU   4  -9.024  -5.683  -2.736
   24   1HD2  LEU   4          HD21      LEU   4  -9.808  -4.176   0.329
   25   2HD2  LEU   4          HD22      LEU   4  -8.573  -5.171  -0.442
   26   3HD2  LEU   4          HD23      LEU   4 -10.280  -5.554  -0.666
   27    H    SER   5           HN       SER   5  -9.820   0.917  -0.337
   28    HA   SER   5           HA       SER   5  -7.436   2.256  -0.924
   29   1HB   SER   5          HB2       SER   5  -9.231   3.610  -0.330
   30   2HB   SER   5          HB1       SER   5  -9.684   2.586   1.029
   31    HG   SER   5           HG       SER   5  -7.296   4.114   0.920
   32    H    THR   6           HN       THR   6  -8.300   1.534   2.467
   33    HA   THR   6           HA       THR   6  -5.830   1.831   3.670
   34    HB   THR   6           HB       THR   6  -7.944  -0.299   4.132
   35    HG1  THR   6           HG1      THR   6  -8.931   1.557   4.485
   36   1HG2  THR   6          HG21      THR   6  -6.656   0.501   6.536
   37   2HG2  THR   6          HG22      THR   6  -5.389   0.094   5.377
   38   3HG2  THR   6          HG23      THR   6  -6.633  -1.090   5.775
   39    H    PHE   7           HN       PHE   7  -7.023  -1.370   2.562
   40    HA   PHE   7           HA       PHE   7  -4.733  -2.897   2.864
   41   1HB   PHE   7          HB2       PHE   7  -6.854  -2.792   0.712
   42   2HB   PHE   7          HB1       PHE   7  -5.629  -4.061   0.739
   43    HD1  PHE   7           HD1      PHE   7  -5.408  -5.521   2.798
   44    HD2  PHE   7           HD2      PHE   7  -8.715  -2.847   2.193
   45    HE1  PHE   7           HE1      PHE   7  -6.716  -6.749   4.510
   46    HE2  PHE   7           HE2      PHE   7 -10.023  -4.076   3.905
   47    HZ   PHE   7           HZ       PHE   7  -9.022  -6.027   5.064
   48    H    PHE   8           HN       PHE   8  -5.537  -1.482  -0.326
   49    HA   PHE   8           HA       PHE   8  -3.083  -1.787  -1.595
   50   1HB   PHE   8          HB2       PHE   8  -5.317  -0.827  -2.413
   51   2HB   PHE   8          HB1       PHE   8  -4.775   0.719  -1.760
   52    HD1  PHE   8           HD1      PHE   8  -2.703   1.799  -2.647
   53    HD2  PHE   8           HD2      PHE   8  -4.387  -1.725  -4.436
   54    HE1  PHE   8           HE1      PHE   8  -1.355   2.192  -4.691
   55    HE2  PHE   8           HE2      PHE   8  -3.040  -1.331  -6.480
   56    HZ   PHE   8           HZ       PHE   8  -1.523   0.628  -6.608
   57    H    ARG   9           HN       ARG   9  -4.068   1.105   0.291
   58    HA   ARG   9           HA       ARG   9  -1.680   2.572   0.146
   59   1HB   ARG   9          HB2       ARG   9  -4.115   2.538   1.606
   60   2HB   ARG   9          HB1       ARG   9  -2.819   2.695   2.792
   61   1HG   ARG   9          HG2       ARG   9  -3.235   4.926   2.189
   62   2HG   ARG   9          HG1       ARG   9  -1.869   4.494   1.160
   63   1HD   ARG   9          HD2       ARG   9  -3.107   4.938  -0.681
   64   2HD   ARG   9          HD1       ARG   9  -4.312   3.738  -0.170
   65    HE   ARG   9           HE       ARG   9  -5.394   5.512   1.174
   66   1HH1  ARG   9          HH21      ARG   9  -2.918   7.309   1.221
   67   2HH1  ARG   9          HH22      ARG   9  -3.414   8.580   0.156
   68   1HH2  ARG   9          HH11      ARG   9  -6.058   6.783  -1.187
   69   2HH2  ARG   9          HH12      ARG   9  -5.192   8.283  -1.208
   70    H    LEU  10           HN       LEU  10  -2.583   0.296   2.773
   71    HA   LEU  10           HA       LEU  10  -0.160   0.319   4.201
   72   1HB   LEU  10          HB2       LEU  10  -2.461  -1.508   3.771
   73   2HB   LEU  10          HB1       LEU  10  -1.018  -2.249   4.465
   74    HG   LEU  10           HG       LEU  10  -2.361   0.251   5.535
   75   1HD1  LEU  10          HD11      LEU  10  -3.554  -1.050   6.987
   76   2HD1  LEU  10          HD12      LEU  10  -2.268  -2.250   7.124
   77   3HD1  LEU  10          HD13      LEU  10  -3.352  -2.275   5.733
   78   1HD2  LEU  10          HD21      LEU  10   0.250  -0.532   5.821
   79   2HD2  LEU  10          HD22      LEU  10  -0.504  -1.334   7.198
   80   3HD2  LEU  10          HD23      LEU  10  -0.636   0.415   7.016
   81    H    PHE  11           HN       PHE  11  -1.083  -1.766   1.442
   82    HA   PHE  11           HA       PHE  11   1.288  -3.331   1.323
   83   1HB   PHE  11          HB2       PHE  11  -1.108  -3.077  -0.031
   84   2HB   PHE  11          HB1       PHE  11   0.069  -2.584  -1.248
   85    HD1  PHE  11           HD1      PHE  11  -0.919  -5.316   1.059
   86    HD2  PHE  11           HD2      PHE  11   1.608  -4.153  -2.214
   87    HE1  PHE  11           HE1      PHE  11  -0.300  -7.690   0.694
   88    HE2  PHE  11           HE2      PHE  11   2.228  -6.526  -2.579
   89    HZ   PHE  11           HZ       PHE  11   1.274  -8.295  -1.126
   90    H    ASN  12           HN       ASN  12   0.466  -0.460  -0.672
   91    HA   ASN  12           HA       ASN  12   2.991  -0.144  -1.912
   92   1HB   ASN  12          HB2       ASN  12   0.908   0.996  -2.562
   93   2HB   ASN  12          HB1       ASN  12   0.926   1.909  -1.052
   94   1HD2  ASN  12          HD21      ASN  12   2.400   1.641  -4.242
   95   2HD2  ASN  12          HD22      ASN  12   3.327   3.057  -4.137
   96    H    ARG  13           HN       ARG  13   1.750   1.489   1.033
   97    HA   ARG  13           HA       ARG  13   4.061   2.972   1.689
   98   1HB   ARG  13          HB2       ARG  13   1.550   2.376   2.760
   99   2HB   ARG  13          HB1       ARG  13   2.683   1.813   3.989
  100   1HG   ARG  13          HG2       ARG  13   3.360   4.433   2.813
  101   2HG   ARG  13          HG1       ARG  13   1.857   4.411   3.736
  102   1HD   ARG  13          HD2       ARG  13   2.947   3.735   5.726
  103   2HD   ARG  13          HD1       ARG  13   4.392   3.190   4.849
  104    HE   ARG  13           HE       ARG  13   4.461   5.759   4.157
  105   1HH1  ARG  13          HH11      ARG  13   4.058   4.183   7.177
  106   2HH1  ARG  13          HH12      ARG  13   4.332   5.610   8.119
  107   1HH2  ARG  13          HH21      ARG  13   4.605   7.696   5.362
  108   2HH2  ARG  13          HH22      ARG  13   4.641   7.600   7.091
  109    H    SER  14           HN       SER  14   3.134  -0.249   2.980
  110    HA   SER  14           HA       SER  14   5.465  -0.793   4.461
  111   1HB   SER  14          HB2       SER  14   3.157  -2.049   3.979
  112   2HB   SER  14          HB1       SER  14   4.161  -2.951   2.848
  113    HG   SER  14           HG       SER  14   4.243  -2.818   5.634
  114    H    PHE  15           HN       PHE  15   4.806  -1.625   1.035
  115    HA   PHE  15           HA       PHE  15   7.396  -2.762   0.518
  116   1HB   PHE  15          HB2       PHE  15   5.016  -1.791  -0.992
  117   2HB   PHE  15          HB1       PHE  15   6.515  -1.961  -1.907
  118    HD1  PHE  15           HD1      PHE  15   3.919  -3.731   0.013
  119    HD2  PHE  15           HD2      PHE  15   7.582  -4.145  -2.193
  120    HE1  PHE  15           HE1      PHE  15   3.585  -6.186  -0.081
  121    HE2  PHE  15           HE2      PHE  15   7.248  -6.600  -2.287
  122    HZ   PHE  15           HZ       PHE  15   5.249  -7.621  -1.231
  123    H    THR  16           HN       THR  16   6.046   0.476  -0.236
  124    HA   THR  16           HA       THR  16   8.361   1.604  -1.417
  125    HB   THR  16           HB       THR  16   6.140   2.793   0.272
  126    HG1  THR  16           HG1      THR  16   6.363   3.074  -2.487
  127   1HG2  THR  16          HG21      THR  16   7.566   4.428  -1.751
  128   2HG2  THR  16          HG22      THR  16   8.453   4.084  -0.266
  129   3HG2  THR  16          HG23      THR  16   6.892   4.901  -0.193
  130    H    GLN  17           HN       GLN  17   7.290   1.835   2.000
  131    HA   GLN  17           HA       GLN  17   9.596   3.209   2.969
  132   1HB   GLN  17          HB2       GLN  17   7.162   2.158   3.914
  133   2HB   GLN  17          HB1       GLN  17   8.411   1.370   4.879
  134   1HG   GLN  17          HG2       GLN  17   8.772   4.280   4.435
  135   2HG   GLN  17          HG1       GLN  17   7.414   3.824   5.464
  136   1HE2  GLN  17          HE21      GLN  17  10.383   4.897   5.919
  137   2HE2  GLN  17          HE22      GLN  17  10.910   3.936   7.215
  138    H    ALA  18           HN       ALA  18   8.806  -0.290   3.111
  139    HA   ALA  18           HA       ALA  18  11.228  -1.188   4.269
  140   1HB   ALA  18          HB1       ALA  18   9.590  -2.603   2.147
  141   2HB   ALA  18          HB2       ALA  18   9.045  -2.421   3.814
  142   3HB   ALA  18          HB3       ALA  18  10.508  -3.341   3.460
  143    H    LEU  19           HN       LEU  19  10.458  -0.366   0.914
  144    HA   LEU  19           HA       LEU  19  12.760  -1.516  -0.339
  145   1HB   LEU  19          HB2       LEU  19  10.762   0.648  -0.908
  146   2HB   LEU  19          HB1       LEU  19  12.170   0.504  -1.962
  147    HG   LEU  19           HG       LEU  19  10.556  -1.938  -1.276
  148   1HD1  LEU  19          HD11      LEU  19   8.850  -1.428  -2.701
  149   2HD1  LEU  19          HD12      LEU  19   9.910  -0.561  -3.813
  150   3HD1  LEU  19          HD13      LEU  19   9.313   0.239  -2.359
  151   1HD2  LEU  19          HD21      LEU  19  12.798  -1.274  -2.934
  152   2HD2  LEU  19          HD22      LEU  19  11.469  -1.780  -3.977
  153   3HD2  LEU  19          HD23      LEU  19  12.045  -2.851  -2.699
  154    H    GLY  20           HN       GLY  20  12.193   1.943   0.444
  155   1HA   GLY  20          HA2       GLY  20  13.759   3.421   1.502
  156   2HA   GLY  20          HA1       GLY  20  15.007   2.185   1.327
  157    H    LYS  21           HN       LYS  21  13.456   2.295  -1.604
  158    HA   LYS  21           HA       LYS  21  14.738   4.683  -2.718
  159   1HB   LYS  21          HB2       LYS  21  16.339   3.354  -4.092
  160   2HB   LYS  21          HB1       LYS  21  16.651   3.181  -2.365
  161   1HG   LYS  21          HG2       LYS  21  16.419   0.954  -2.570
  162   2HG   LYS  21          HG1       LYS  21  14.742   1.196  -3.063
  163   1HD   LYS  21          HD2       LYS  21  15.368   1.363  -5.384
  164   2HD   LYS  21          HD1       LYS  21  17.084   1.398  -4.973
  165   1HE   LYS  21          HE2       LYS  21  17.180  -0.877  -4.611
  166   2HE   LYS  21          HE1       LYS  21  15.515  -0.952  -4.002
  167   1HZ   LYS  21          HZ1       LYS  21  15.021  -0.144  -6.446
  168   2HZ   LYS  21          HZ2       LYS  21  15.182  -1.795  -6.076
  169   3HZ   LYS  21          HZ3       LYS  21  16.482  -0.947  -6.765
  170   1HN   NH2  22          1HN       NH2  22  14.919   3.678  -5.423
  171   2HN   NH2  22          2HN       NH2  22  13.359   3.256  -5.942
  Start of MODEL    9
    1   1H    SER   1          1H        SER   1 -13.882  -2.058  -3.931
    2   2H    SER   1          2H        SER   1 -14.371  -2.525  -5.489
    3   3H    SER   1          3H        SER   1 -14.134  -3.697  -4.284
    4    HA   SER   1           HA       SER   1 -16.361  -1.786  -4.596
    5   1HB   SER   1          HB2       SER   1 -16.214  -4.205  -5.448
    6   2HB   SER   1          HB1       SER   1 -16.242  -4.692  -3.756
    7    HG   SER   1           HG       SER   1 -18.170  -3.000  -4.974
    8    H    GLY   2           HN       GLY   2 -14.621  -3.771  -2.186
    9   1HA   GLY   2          HA2       GLY   2 -15.679  -1.972  -0.068
   10   2HA   GLY   2          HA1       GLY   2 -15.916  -3.710   0.118
   11    H    SER   3           HN       SER   3 -14.101  -1.466   1.404
   12    HA   SER   3           HA       SER   3 -11.925  -1.383   2.332
   13   1HB   SER   3          HB2       SER   3 -13.000  -3.422   3.331
   14   2HB   SER   3          HB1       SER   3 -12.277  -4.385   2.045
   15    HG   SER   3           HG       SER   3 -10.763  -2.683   3.726
   16    H    LEU   4           HN       LEU   4 -10.996  -0.483   0.313
   17    HA   LEU   4           HA       LEU   4  -9.258  -2.477  -1.105
   18   1HB   LEU   4          HB2       LEU   4 -11.409  -1.237  -2.186
   19   2HB   LEU   4          HB1       LEU   4 -10.175  -0.019  -2.511
   20    HG   LEU   4           HG       LEU   4 -10.391  -1.671  -4.366
   21   1HD1  LEU   4          HD11      LEU   4  -7.936  -2.291  -4.414
   22   2HD1  LEU   4          HD12      LEU   4  -7.812  -1.651  -2.776
   23   3HD1  LEU   4          HD13      LEU   4  -8.255  -0.584  -4.109
   24   1HD2  LEU   4          HD21      LEU   4 -10.107  -3.951  -4.056
   25   2HD2  LEU   4          HD22      LEU   4 -10.843  -3.530  -2.510
   26   3HD2  LEU   4          HD23      LEU   4  -9.095  -3.736  -2.628
   27    H    SER   5           HN       SER   5  -9.626   1.089  -0.975
   28    HA   SER   5           HA       SER   5  -6.967   1.827  -1.361
   29   1HB   SER   5          HB2       SER   5  -7.747   3.737   0.316
   30   2HB   SER   5          HB1       SER   5  -8.500   3.573  -1.268
   31    HG   SER   5           HG       SER   5 -10.286   3.237  -0.232
   32    H    THR   6           HN       THR   6  -8.526   1.112   1.788
   33    HA   THR   6           HA       THR   6  -6.442   1.557   3.563
   34    HB   THR   6           HB       THR   6  -8.087  -0.972   3.638
   35    HG1  THR   6           HG1      THR   6  -8.921   1.714   3.759
   36   1HG2  THR   6          HG21      THR   6  -7.415  -0.937   5.780
   37   2HG2  THR   6          HG22      THR   6  -8.210   0.623   5.994
   38   3HG2  THR   6          HG23      THR   6  -6.523   0.556   5.485
   39    H    PHE   7           HN       PHE   7  -7.051  -1.728   2.263
   40    HA   PHE   7           HA       PHE   7  -4.538  -2.826   2.949
   41   1HB   PHE   7          HB2       PHE   7  -6.813  -3.782   1.979
   42   2HB   PHE   7          HB1       PHE   7  -5.974  -3.618   0.437
   43    HD1  PHE   7           HD1      PHE   7  -6.852  -6.227   1.917
   44    HD2  PHE   7           HD2      PHE   7  -3.152  -4.056   1.704
   45    HE1  PHE   7           HE1      PHE   7  -5.599  -8.317   2.374
   46    HE2  PHE   7           HE2      PHE   7  -1.898  -6.146   2.161
   47    HZ   PHE   7           HZ       PHE   7  -3.122  -8.278   2.497
   48    H    PHE   8           HN       PHE   8  -5.562  -1.522  -0.235
   49    HA   PHE   8           HA       PHE   8  -3.176  -1.800  -1.662
   50   1HB   PHE   8          HB2       PHE   8  -5.313  -0.987  -2.566
   51   2HB   PHE   8          HB1       PHE   8  -5.160   0.498  -1.628
   52    HD1  PHE   8           HD1      PHE   8  -4.007  -1.352  -4.570
   53    HD2  PHE   8           HD2      PHE   8  -3.411   2.161  -2.171
   54    HE1  PHE   8           HE1      PHE   8  -2.660  -0.339  -6.389
   55    HE2  PHE   8           HE2      PHE   8  -2.063   3.174  -3.990
   56    HZ   PHE   8           HZ       PHE   8  -1.688   1.924  -6.099
   57    H    ARG   9           HN       ARG   9  -4.131   1.197   0.070
   58    HA   ARG   9           HA       ARG   9  -1.687   2.572  -0.128
   59   1HB   ARG   9          HB2       ARG   9  -3.709   3.608   0.684
   60   2HB   ARG   9          HB1       ARG   9  -3.815   2.471   2.029
   61   1HG   ARG   9          HG2       ARG   9  -1.647   3.368   2.897
   62   2HG   ARG   9          HG1       ARG   9  -1.673   4.576   1.612
   63   1HD   ARG   9          HD2       ARG   9  -4.030   5.196   2.516
   64   2HD   ARG   9          HD1       ARG   9  -3.538   4.309   3.973
   65    HE   ARG   9           HE       ARG   9  -1.500   6.176   3.035
   66   1HH1  ARG   9          HH11      ARG   9  -4.592   6.130   4.507
   67   2HH1  ARG   9          HH12      ARG   9  -4.190   7.297   5.722
   68   1HH2  ARG   9          HH21      ARG   9  -0.862   7.528   4.775
   69   2HH2  ARG   9          HH22      ARG   9  -2.078   8.089   5.873
   70    H    LEU  10           HN       LEU  10  -2.755   0.379   2.501
   71    HA   LEU  10           HA       LEU  10  -0.505   0.515   4.173
   72   1HB   LEU  10          HB2       LEU  10  -2.581  -0.678   4.687
   73   2HB   LEU  10          HB1       LEU  10  -2.258  -1.840   3.399
   74    HG   LEU  10           HG       LEU  10   0.025  -1.646   5.164
   75   1HD1  LEU  10          HD11      LEU  10  -1.582  -1.001   6.884
   76   2HD1  LEU  10          HD12      LEU  10  -1.078  -2.668   7.158
   77   3HD1  LEU  10          HD13      LEU  10  -2.647  -2.331   6.426
   78   1HD2  LEU  10          HD21      LEU  10  -0.594  -3.503   3.580
   79   2HD2  LEU  10          HD22      LEU  10  -1.915  -3.924   4.670
   80   3HD2  LEU  10          HD23      LEU  10  -0.243  -4.058   5.216
   81    H    PHE  11           HN       PHE  11  -1.037  -1.853   1.526
   82    HA   PHE  11           HA       PHE  11   1.522  -3.084   1.639
   83   1HB   PHE  11          HB2       PHE  11  -0.745  -3.538   0.327
   84   2HB   PHE  11          HB1       PHE  11   0.079  -2.648  -0.954
   85    HD1  PHE  11           HD1      PHE  11   2.924  -3.532  -0.074
   86    HD2  PHE  11           HD2      PHE  11  -0.717  -5.685  -0.821
   87    HE1  PHE  11           HE1      PHE  11   4.237  -5.558  -0.640
   88    HE2  PHE  11           HE2      PHE  11   0.597  -7.710  -1.388
   89    HZ   PHE  11           HZ       PHE  11   3.074  -7.646  -1.298
   90    H    ASN  12           HN       ASN  12   0.396  -0.434  -0.503
   91    HA   ASN  12           HA       ASN  12   2.800   0.065  -1.880
   92   1HB   ASN  12          HB2       ASN  12   0.554   1.056  -2.312
   93   2HB   ASN  12          HB1       ASN  12   0.735   2.046  -0.864
   94   1HD2  ASN  12          HD21      ASN  12   1.124   2.171  -4.181
   95   2HD2  ASN  12          HD22      ASN  12   2.294   3.398  -4.272
   96    H    ARG  13           HN       ARG  13   1.675   1.595   1.164
   97    HA   ARG  13           HA       ARG  13   3.984   3.195   1.630
   98   1HB   ARG  13          HB2       ARG  13   1.609   2.209   3.043
   99   2HB   ARG  13          HB1       ARG  13   2.982   2.476   4.118
  100   1HG   ARG  13          HG2       ARG  13   2.257   4.555   2.069
  101   2HG   ARG  13          HG1       ARG  13   1.374   4.476   3.595
  102   1HD   ARG  13          HD2       ARG  13   3.580   4.587   4.809
  103   2HD   ARG  13          HD1       ARG  13   4.366   4.868   3.242
  104    HE   ARG  13           HE       ARG  13   2.401   6.706   4.527
  105   1HH1  ARG  13          HH11      ARG  13   2.169   6.750   1.553
  106   2HH1  ARG  13          HH12      ARG  13   3.314   7.973   1.110
  107   1HH2  ARG  13          HH21      ARG  13   4.947   7.927   4.168
  108   2HH2  ARG  13          HH22      ARG  13   4.885   8.640   2.591
  109    H    SER  14           HN       SER  14   3.156   0.023   3.100
  110    HA   SER  14           HA       SER  14   5.587  -0.416   4.469
  111   1HB   SER  14          HB2       SER  14   4.882  -2.835   4.222
  112   2HB   SER  14          HB1       SER  14   3.608  -1.767   4.802
  113    HG   SER  14           HG       SER  14   2.521  -2.220   3.069
  114    H    PHE  15           HN       PHE  15   4.703  -1.274   1.113
  115    HA   PHE  15           HA       PHE  15   7.119  -2.638   0.434
  116   1HB   PHE  15          HB2       PHE  15   4.738  -2.216  -0.727
  117   2HB   PHE  15          HB1       PHE  15   5.659  -0.970  -1.571
  118    HD1  PHE  15           HD1      PHE  15   4.435  -3.630  -2.692
  119    HD2  PHE  15           HD2      PHE  15   8.359  -2.507  -1.354
  120    HE1  PHE  15           HE1      PHE  15   5.432  -5.359  -4.164
  121    HE2  PHE  15           HE2      PHE  15   9.357  -4.237  -2.826
  122    HZ   PHE  15           HZ       PHE  15   7.892  -5.663  -4.230
  123    H    THR  16           HN       THR  16   6.184   0.796   0.030
  124    HA   THR  16           HA       THR  16   8.615   1.658  -1.212
  125    HB   THR  16           HB       THR  16   6.714   3.184   0.598
  126    HG1  THR  16           HG1      THR  16   6.590   2.479  -2.140
  127   1HG2  THR  16          HG21      THR  16   7.987   4.363  -1.820
  128   2HG2  THR  16          HG22      THR  16   9.029   4.090  -0.423
  129   3HG2  THR  16          HG23      THR  16   7.601   5.114  -0.271
  130    H    GLN  17           HN       GLN  17   7.610   1.553   2.215
  131    HA   GLN  17           HA       GLN  17   9.966   2.798   3.286
  132   1HB   GLN  17          HB2       GLN  17   7.679   2.377   4.346
  133   2HB   GLN  17          HB1       GLN  17   8.203   0.711   4.595
  134   1HG   GLN  17          HG2       GLN  17   9.845   1.313   6.135
  135   2HG   GLN  17          HG1       GLN  17   9.968   2.959   5.512
  136   1HE2  GLN  17          HE21      GLN  17   7.274   3.771   5.536
  137   2HE2  GLN  17          HE22      GLN  17   6.697   3.772   7.132
  138    H    ALA  18           HN       ALA  18   9.064  -0.659   2.968
  139    HA   ALA  18           HA       ALA  18  11.505  -1.725   4.012
  140   1HB   ALA  18          HB1       ALA  18   9.042  -2.593   2.876
  141   2HB   ALA  18          HB2       ALA  18  10.229  -3.568   3.744
  142   3HB   ALA  18          HB3       ALA  18  10.336  -3.404   1.991
  143    H    LEU  19           HN       LEU  19  10.472  -1.142   0.630
  144    HA   LEU  19           HA       LEU  19  12.797  -2.074  -0.685
  145   1HB   LEU  19          HB2       LEU  19  10.767  -1.509  -1.861
  146   2HB   LEU  19          HB1       LEU  19  10.832   0.157  -1.282
  147    HG   LEU  19           HG       LEU  19  13.081   0.337  -2.486
  148   1HD1  LEU  19          HD11      LEU  19  12.110  -1.975  -4.139
  149   2HD1  LEU  19          HD12      LEU  19  13.074  -2.287  -2.696
  150   3HD1  LEU  19          HD13      LEU  19  13.737  -1.309  -4.005
  151   1HD2  LEU  19          HD21      LEU  19  11.823   1.420  -4.010
  152   2HD2  LEU  19          HD22      LEU  19  10.401   0.562  -3.417
  153   3HD2  LEU  19          HD23      LEU  19  11.352  -0.115  -4.738
  154    H    GLY  20           HN       GLY  20  12.083   1.173   0.631
  155   1HA   GLY  20          HA2       GLY  20  14.671   2.242  -0.183
  156   2HA   GLY  20          HA1       GLY  20  13.503   3.048   0.868
  157    H    LYS  21           HN       LYS  21  13.882   0.006   2.138
  158    HA   LYS  21           HA       LYS  21  15.467   0.995   4.377
  159   1HB   LYS  21          HB2       LYS  21  13.507  -0.760   4.179
  160   2HB   LYS  21          HB1       LYS  21  14.819  -1.892   3.846
  161   1HG   LYS  21          HG2       LYS  21  15.333  -0.111   6.133
  162   2HG   LYS  21          HG1       LYS  21  13.961  -1.196   6.364
  163   1HD   LYS  21          HD2       LYS  21  16.266  -2.524   5.135
  164   2HD   LYS  21          HD1       LYS  21  16.618  -1.877   6.738
  165   1HE   LYS  21          HE2       LYS  21  15.151  -3.315   7.788
  166   2HE   LYS  21          HE1       LYS  21  14.031  -3.338   6.411
  167   1HZ   LYS  21          HZ1       LYS  21  15.453  -4.733   5.194
  168   2HZ   LYS  21          HZ2       LYS  21  15.425  -5.410   6.751
  169   3HZ   LYS  21          HZ3       LYS  21  16.757  -4.484   6.248
  170   1HN   NH2  22          1HN       NH2  22  17.619   1.447   3.465
  171   2HN   NH2  22          2HN       NH2  22  18.647   0.195   2.958
  Start of MODEL   10
    1   1H    SER   1          1H        SER   1 -12.222   5.197 -11.795
    2   2H    SER   1          2H        SER   1 -11.274   5.979 -10.623
    3   3H    SER   1          3H        SER   1 -12.813   5.388 -10.217
    4    HA   SER   1           HA       SER   1 -12.090   3.120 -10.471
    5   1HB   SER   1          HB2       SER   1 -10.432   4.255 -12.308
    6   2HB   SER   1          HB1       SER   1  -9.296   3.978 -10.991
    7    HG   SER   1           HG       SER   1 -10.485   1.791 -10.997
    8    H    GLY   2           HN       GLY   2 -10.506   2.025  -8.907
    9   1HA   GLY   2          HA2       GLY   2  -8.793   2.651  -7.087
   10   2HA   GLY   2          HA1       GLY   2  -9.984   3.861  -6.608
   11    H    SER   3           HN       SER   3  -8.934   1.484  -5.115
   12    HA   SER   3           HA       SER   3 -11.398   0.639  -3.898
   13   1HB   SER   3          HB2       SER   3 -11.976  -0.805  -5.573
   14   2HB   SER   3          HB1       SER   3 -10.345  -0.830  -6.236
   15    HG   SER   3           HG       SER   3 -11.261  -2.191  -3.914
   16    H    LEU   4           HN       LEU   4 -10.979  -1.047  -2.214
   17    HA   LEU   4           HA       LEU   4  -9.654  -1.795  -0.400
   18   1HB   LEU   4          HB2       LEU   4  -8.432  -2.512  -2.987
   19   2HB   LEU   4          HB1       LEU   4  -7.312  -2.576  -1.625
   20    HG   LEU   4           HG       LEU   4  -9.412  -3.800  -0.483
   21   1HD1  LEU   4          HD11      LEU   4 -10.354  -5.364  -2.253
   22   2HD1  LEU   4          HD12      LEU   4  -9.664  -4.281  -3.462
   23   3HD1  LEU   4          HD13      LEU   4 -10.909  -3.693  -2.358
   24   1HD2  LEU   4          HD21      LEU   4  -8.285  -5.890  -0.941
   25   2HD2  LEU   4          HD22      LEU   4  -7.049  -4.638  -0.825
   26   3HD2  LEU   4          HD23      LEU   4  -7.556  -5.233  -2.407
   27    H    SER   5           HN       SER   5  -9.566   0.965  -0.527
   28    HA   SER   5           HA       SER   5  -7.077   2.241  -0.892
   29   1HB   SER   5          HB2       SER   5  -8.030   3.879   0.728
   30   2HB   SER   5          HB1       SER   5  -9.218   3.367  -0.467
   31    HG   SER   5           HG       SER   5  -9.922   1.808   1.111
   32    H    THR   6           HN       THR   6  -8.380   1.255   2.301
   33    HA   THR   6           HA       THR   6  -6.094   1.551   3.853
   34    HB   THR   6           HB       THR   6  -8.313  -0.505   3.845
   35    HG1  THR   6           HG1      THR   6  -8.714   0.872   5.815
   36   1HG2  THR   6          HG21      THR   6  -5.968  -0.201   5.695
   37   2HG2  THR   6          HG22      THR   6  -6.719  -1.675   5.082
   38   3HG2  THR   6          HG23      THR   6  -7.523  -0.731   6.337
   39    H    PHE   7           HN       PHE   7  -7.051  -1.578   2.372
   40    HA   PHE   7           HA       PHE   7  -4.654  -2.978   2.881
   41   1HB   PHE   7          HB2       PHE   7  -6.996  -3.137   1.096
   42   2HB   PHE   7          HB1       PHE   7  -5.570  -3.974   0.481
   43    HD1  PHE   7           HD1      PHE   7  -7.283  -3.485   3.792
   44    HD2  PHE   7           HD2      PHE   7  -5.373  -6.210   1.075
   45    HE1  PHE   7           HE1      PHE   7  -7.690  -5.350   5.376
   46    HE2  PHE   7           HE2      PHE   7  -5.779  -8.074   2.660
   47    HZ   PHE   7           HZ       PHE   7  -6.938  -7.644   4.810
   48    H    PHE   8           HN       PHE   8  -5.566  -1.279  -0.148
   49    HA   PHE   8           HA       PHE   8  -3.159  -1.624  -1.567
   50   1HB   PHE   8          HB2       PHE   8  -5.382  -0.630  -2.299
   51   2HB   PHE   8          HB1       PHE   8  -4.884   0.869  -1.514
   52    HD1  PHE   8           HD1      PHE   8  -3.411  -1.693  -3.837
   53    HD2  PHE   8           HD2      PHE   8  -3.881   2.466  -2.870
   54    HE1  PHE   8           HE1      PHE   8  -2.090  -1.077  -5.844
   55    HE2  PHE   8           HE2      PHE   8  -2.560   3.082  -4.877
   56    HZ   PHE   8           HZ       PHE   8  -1.665   1.311  -6.364
   57    H    ARG   9           HN       ARG   9  -4.026   1.419   0.120
   58    HA   ARG   9           HA       ARG   9  -1.546   2.676   0.105
   59   1HB   ARG   9          HB2       ARG   9  -4.012   2.703   1.677
   60   2HB   ARG   9          HB1       ARG   9  -2.614   3.210   2.626
   61   1HG   ARG   9          HG2       ARG   9  -2.751   4.338  -0.106
   62   2HG   ARG   9          HG1       ARG   9  -4.017   4.882   0.995
   63   1HD   ARG   9          HD2       ARG   9  -1.067   4.914   1.716
   64   2HD   ARG   9          HD1       ARG   9  -1.937   6.318   1.066
   65    HE   ARG   9           HE       ARG   9  -3.360   5.117   3.289
   66   1HH1  ARG   9          HH11      ARG   9  -2.609   8.069   2.390
   67   2HH1  ARG   9          HH12      ARG   9  -1.837   8.603   3.846
   68   1HH2  ARG   9          HH21      ARG   9  -1.566   5.415   5.184
   69   2HH2  ARG   9          HH22      ARG   9  -1.246   7.100   5.427
   70    H    LEU  10           HN       LEU  10  -2.702   0.275   2.491
   71    HA   LEU  10           HA       LEU  10  -0.462   0.298   4.230
   72   1HB   LEU  10          HB2       LEU  10  -2.585  -1.656   3.403
   73   2HB   LEU  10          HB1       LEU  10  -1.283  -2.213   4.455
   74    HG   LEU  10           HG       LEU  10  -2.887   0.282   5.046
   75   1HD1  LEU  10          HD11      LEU  10  -4.079  -1.215   6.719
   76   2HD1  LEU  10          HD12      LEU  10  -3.390  -2.593   5.860
   77   3HD1  LEU  10          HD13      LEU  10  -4.499  -1.501   5.030
   78   1HD2  LEU  10          HD21      LEU  10  -1.989  -0.930   7.390
   79   2HD2  LEU  10          HD22      LEU  10  -1.249   0.461   6.598
   80   3HD2  LEU  10          HD23      LEU  10  -0.655  -1.165   6.261
   81    H    PHE  11           HN       PHE  11  -1.099  -2.040   1.579
   82    HA   PHE  11           HA       PHE  11   1.420  -3.326   1.616
   83   1HB   PHE  11          HB2       PHE  11  -0.890  -2.981  -0.177
   84   2HB   PHE  11          HB1       PHE  11   0.612  -3.354  -1.023
   85    HD1  PHE  11           HD1      PHE  11  -2.115  -4.705   0.842
   86    HD2  PHE  11           HD2      PHE  11   2.038  -5.317  -0.072
   87    HE1  PHE  11           HE1      PHE  11  -2.313  -7.080   1.528
   88    HE2  PHE  11           HE2      PHE  11   1.839  -7.692   0.615
   89    HZ   PHE  11           HZ       PHE  11  -0.337  -8.574   1.415
   90    H    ASN  12           HN       ASN  12   0.361  -0.501  -0.313
   91    HA   ASN  12           HA       ASN  12   2.765  -0.087  -1.766
   92   1HB   ASN  12          HB2       ASN  12   0.285   1.281  -1.111
   93   2HB   ASN  12          HB1       ASN  12   1.629   2.421  -1.191
   94   1HD2  ASN  12          HD21      ASN  12   0.747   3.285  -3.245
   95   2HD2  ASN  12          HD22      ASN  12   0.932   2.412  -4.690
   96    H    ARG  13           HN       ARG  13   1.710   1.626   1.210
   97    HA   ARG  13           HA       ARG  13   4.095   3.036   1.722
   98   1HB   ARG  13          HB2       ARG  13   1.618   2.561   2.920
   99   2HB   ARG  13          HB1       ARG  13   2.784   1.990   4.115
  100   1HG   ARG  13          HG2       ARG  13   3.039   4.151   4.716
  101   2HG   ARG  13          HG1       ARG  13   3.896   4.370   3.191
  102   1HD   ARG  13          HD2       ARG  13   0.884   4.642   3.494
  103   2HD   ARG  13          HD1       ARG  13   2.017   6.008   3.467
  104    HE   ARG  13           HE       ARG  13   2.537   4.288   1.230
  105   1HH1  ARG  13          HH21      ARG  13   1.808   7.382   1.748
  106   2HH1  ARG  13          HH22      ARG  13   0.608   7.560   0.512
  107   1HH2  ARG  13          HH11      ARG  13   0.320   4.153  -0.070
  108   2HH2  ARG  13          HH12      ARG  13  -0.234   5.732  -0.517
  109    H    SER  14           HN       SER  14   3.130  -0.146   3.078
  110    HA   SER  14           HA       SER  14   5.459  -0.736   4.532
  111   1HB   SER  14          HB2       SER  14   3.496  -2.406   2.953
  112   2HB   SER  14          HB1       SER  14   4.769  -3.146   3.920
  113    HG   SER  14           HG       SER  14   3.868  -2.357   5.729
  114    H    PHE  15           HN       PHE  15   4.781  -1.638   1.124
  115    HA   PHE  15           HA       PHE  15   7.402  -2.711   0.614
  116   1HB   PHE  15          HB2       PHE  15   4.974  -2.692  -0.612
  117   2HB   PHE  15          HB1       PHE  15   5.829  -1.504  -1.596
  118    HD1  PHE  15           HD1      PHE  15   5.737  -5.021  -0.497
  119    HD2  PHE  15           HD2      PHE  15   7.767  -2.128  -2.938
  120    HE1  PHE  15           HE1      PHE  15   6.933  -6.849  -1.670
  121    HE2  PHE  15           HE2      PHE  15   8.962  -3.956  -4.111
  122    HZ   PHE  15           HZ       PHE  15   8.545  -6.317  -3.478
  123    H    THR  16           HN       THR  16   5.930   0.442  -0.262
  124    HA   THR  16           HA       THR  16   8.073   1.656  -1.574
  125    HB   THR  16           HB       THR  16   5.984   2.674   0.361
  126    HG1  THR  16           HG1      THR  16   6.301   2.386  -2.396
  127   1HG2  THR  16          HG21      THR  16   8.195   4.141  -1.027
  128   2HG2  THR  16          HG22      THR  16   7.512   4.408   0.576
  129   3HG2  THR  16          HG23      THR  16   6.626   4.927  -0.857
  130    H    GLN  17           HN       GLN  17   7.427   1.988   1.944
  131    HA   GLN  17           HA       GLN  17   9.980   3.172   2.539
  132   1HB   GLN  17          HB2       GLN  17   7.553   2.685   3.795
  133   2HB   GLN  17          HB1       GLN  17   8.673   1.652   4.682
  134   1HG   GLN  17          HG2       GLN  17  10.200   3.826   4.606
  135   2HG   GLN  17          HG1       GLN  17   8.641   4.632   4.427
  136   1HE2  GLN  17          HE21      GLN  17   9.762   5.308   6.754
  137   2HE2  GLN  17          HE22      GLN  17   9.136   4.432   8.066
  138    H    ALA  18           HN       ALA  18   8.748  -0.157   3.066
  139    HA   ALA  18           HA       ALA  18  10.938  -1.404   4.205
  140   1HB   ALA  18          HB1       ALA  18   8.835  -2.517   3.672
  141   2HB   ALA  18          HB2       ALA  18  10.151  -3.411   2.909
  142   3HB   ALA  18          HB3       ALA  18   9.139  -2.336   1.945
  143    H    LEU  19           HN       LEU  19  10.463  -1.015   0.667
  144    HA   LEU  19           HA       LEU  19  13.097  -1.986  -0.018
  145   1HB   LEU  19          HB2       LEU  19  10.906  -1.803  -1.390
  146   2HB   LEU  19          HB1       LEU  19  11.373  -0.123  -1.655
  147    HG   LEU  19           HG       LEU  19  13.710  -1.544  -2.172
  148   1HD1  LEU  19          HD11      LEU  19  11.598  -2.918  -3.788
  149   2HD1  LEU  19          HD12      LEU  19  11.940  -3.527  -2.169
  150   3HD1  LEU  19          HD13      LEU  19  13.224  -3.464  -3.376
  151   1HD2  LEU  19          HD21      LEU  19  13.520  -0.082  -3.877
  152   2HD2  LEU  19          HD22      LEU  19  11.804   0.131  -3.534
  153   3HD2  LEU  19          HD23      LEU  19  12.333  -1.150  -4.624
  154    H    GLY  20           HN       GLY  20  11.722   1.331  -0.124
  155   1HA   GLY  20          HA2       GLY  20  13.157   3.088   1.038
  156   2HA   GLY  20          HA1       GLY  20  14.517   2.360   0.179
  157    H    LYS  21           HN       LYS  21  11.944   2.145  -1.903
  158    HA   LYS  21           HA       LYS  21  12.969   4.286  -3.599
  159   1HB   LYS  21          HB2       LYS  21  12.193   2.210  -4.556
  160   2HB   LYS  21          HB1       LYS  21  10.638   2.352  -3.735
  161   1HG   LYS  21          HG2       LYS  21   9.950   4.160  -5.106
  162   2HG   LYS  21          HG1       LYS  21  11.593   4.453  -5.683
  163   1HD   LYS  21          HD2       LYS  21  11.384   2.927  -7.333
  164   2HD   LYS  21          HD1       LYS  21  10.711   1.724  -6.231
  165   1HE   LYS  21          HE2       LYS  21   8.533   2.304  -6.715
  166   2HE   LYS  21          HE1       LYS  21   8.938   4.014  -6.965
  167   1HZ   LYS  21          HZ1       LYS  21   8.486   2.401  -8.992
  168   2HZ   LYS  21          HZ2       LYS  21  10.136   2.055  -8.775
  169   3HZ   LYS  21          HZ3       LYS  21   9.633   3.647  -9.084
  170   1HN   NH2  22          1HN       NH2  22   9.475   3.891  -3.299
  171   2HN   NH2  22          2HN       NH2  22   9.149   5.459  -2.736
  Start of MODEL   11
    1   1H    SER   1          1H        SER   1  -5.982  -1.498  -9.067
    2   2H    SER   1          2H        SER   1  -7.213  -0.842 -10.035
    3   3H    SER   1          3H        SER   1  -5.950  -1.726 -10.748
    4    HA   SER   1           HA       SER   1  -8.014  -3.040 -10.603
    5   1HB   SER   1          HB2       SER   1  -5.763  -4.035 -10.644
    6   2HB   SER   1          HB1       SER   1  -5.637  -3.851  -8.897
    7    HG   SER   1           HG       SER   1  -6.636  -5.684  -8.759
    8    H    GLY   2           HN       GLY   2  -9.873  -2.630  -9.426
    9   1HA   GLY   2          HA2       GLY   2 -11.330  -2.650  -7.584
   10   2HA   GLY   2          HA1       GLY   2 -10.086  -3.547  -6.712
   11    H    SER   3           HN       SER   3 -11.301  -1.842  -5.122
   12    HA   SER   3           HA       SER   3 -10.224   0.871  -5.198
   13   1HB   SER   3          HB2       SER   3 -11.333  -0.370  -2.721
   14   2HB   SER   3          HB1       SER   3 -11.701   1.190  -3.451
   15    HG   SER   3           HG       SER   3 -13.447  -0.091  -3.836
   16    H    LEU   4           HN       LEU   4  -8.559   1.705  -3.858
   17    HA   LEU   4           HA       LEU   4  -6.413  -0.093  -3.156
   18   1HB   LEU   4          HB2       LEU   4  -7.052   2.823  -2.657
   19   2HB   LEU   4          HB1       LEU   4  -5.540   2.090  -2.120
   20    HG   LEU   4           HG       LEU   4  -5.633   1.219  -4.701
   21   1HD1  LEU   4          HD11      LEU   4  -7.488   3.445  -4.478
   22   2HD1  LEU   4          HD12      LEU   4  -7.159   2.404  -5.864
   23   3HD1  LEU   4          HD13      LEU   4  -6.164   3.832  -5.577
   24   1HD2  LEU   4          HD21      LEU   4  -4.378   3.719  -4.866
   25   2HD2  LEU   4          HD22      LEU   4  -3.616   2.196  -4.405
   26   3HD2  LEU   4          HD23      LEU   4  -4.255   3.274  -3.163
   27    H    SER   5           HN       SER   5  -8.539   1.956  -1.113
   28    HA   SER   5           HA       SER   5  -9.171   1.713   1.150
   29   1HB   SER   5          HB2       SER   5  -9.371  -0.759  -0.241
   30   2HB   SER   5          HB1       SER   5  -8.739  -1.126   1.360
   31    HG   SER   5           HG       SER   5 -11.204  -0.149   0.584
   32    H    THR   6           HN       THR   6  -8.288   1.081   3.317
   33    HA   THR   6           HA       THR   6  -5.628   1.747   3.769
   34    HB   THR   6           HB       THR   6  -6.094   0.035   5.802
   35    HG1  THR   6           HG1      THR   6  -7.997  -0.639   4.430
   36   1HG2  THR   6          HG21      THR   6  -6.552   1.951   6.913
   37   2HG2  THR   6          HG22      THR   6  -7.970   2.282   5.920
   38   3HG2  THR   6          HG23      THR   6  -6.367   2.750   5.352
   39    H    PHE   7           HN       PHE   7  -6.949  -1.451   2.964
   40    HA   PHE   7           HA       PHE   7  -4.676  -3.062   3.444
   41   1HB   PHE   7          HB2       PHE   7  -7.035  -3.086   1.593
   42   2HB   PHE   7          HB1       PHE   7  -5.770  -4.292   1.353
   43    HD1  PHE   7           HD1      PHE   7  -5.671  -6.212   2.716
   44    HD2  PHE   7           HD2      PHE   7  -8.012  -2.835   3.968
   45    HE1  PHE   7           HE1      PHE   7  -6.575  -7.539   4.606
   46    HE2  PHE   7           HE2      PHE   7  -8.917  -4.162   5.857
   47    HZ   PHE   7           HZ       PHE   7  -8.199  -6.514   6.176
   48    H    PHE   8           HN       PHE   8  -5.647  -1.787   0.228
   49    HA   PHE   8           HA       PHE   8  -3.165  -2.336  -1.058
   50   1HB   PHE   8          HB2       PHE   8  -5.537  -1.658  -1.928
   51   2HB   PHE   8          HB1       PHE   8  -4.951  -0.006  -1.742
   52    HD1  PHE   8           HD1      PHE   8  -5.107  -2.790  -3.926
   53    HD2  PHE   8           HD2      PHE   8  -2.560   0.468  -2.763
   54    HE1  PHE   8           HE1      PHE   8  -3.883  -2.980  -6.074
   55    HE2  PHE   8           HE2      PHE   8  -1.336   0.277  -4.912
   56    HZ   PHE   8           HZ       PHE   8  -1.998  -1.446  -6.567
   57    H    ARG   9           HN       ARG   9  -4.350   0.628   0.548
   58    HA   ARG   9           HA       ARG   9  -2.173   2.345  -0.015
   59   1HB   ARG   9          HB2       ARG   9  -4.387   2.872   1.071
   60   2HB   ARG   9          HB1       ARG   9  -3.778   2.133   2.552
   61   1HG   ARG   9          HG2       ARG   9  -2.339   3.866   2.991
   62   2HG   ARG   9          HG1       ARG   9  -2.042   4.189   1.283
   63   1HD   ARG   9          HD2       ARG   9  -4.737   4.770   2.530
   64   2HD   ARG   9          HD1       ARG   9  -3.420   5.959   2.568
   65    HE   ARG   9           HE       ARG   9  -4.786   4.978   0.131
   66   1HH1  ARG   9          HH21      ARG   9  -1.854   6.237   1.359
   67   2HH1  ARG   9          HH22      ARG   9  -1.629   7.370   0.068
   68   1HH2  ARG   9          HH11      ARG   9  -4.671   6.662  -1.438
   69   2HH2  ARG   9          HH12      ARG   9  -3.224   7.611  -1.515
   70    H    LEU  10           HN       LEU  10  -2.626   0.139   2.774
   71    HA   LEU  10           HA       LEU  10  -0.099   0.685   4.016
   72   1HB   LEU  10          HB2       LEU  10  -2.359  -1.160   4.219
   73   2HB   LEU  10          HB1       LEU  10  -0.831  -1.938   4.634
   74    HG   LEU  10           HG       LEU  10  -1.180   0.771   5.757
   75   1HD1  LEU  10          HD11      LEU  10  -2.543  -0.833   7.598
   76   2HD1  LEU  10          HD12      LEU  10  -3.261  -1.250   6.041
   77   3HD1  LEU  10          HD13      LEU  10  -3.252   0.428   6.588
   78   1HD2  LEU  10          HD21      LEU  10   0.611  -1.127   6.164
   79   2HD2  LEU  10          HD22      LEU  10  -0.601  -1.752   7.281
   80   3HD2  LEU  10          HD23      LEU  10   0.061  -0.134   7.514
   81    H    PHE  11           HN       PHE  11  -1.123  -1.953   1.815
   82    HA   PHE  11           HA       PHE  11   1.296  -3.384   1.659
   83   1HB   PHE  11          HB2       PHE  11  -1.182  -3.045   0.177
   84   2HB   PHE  11          HB1       PHE  11   0.169  -3.342  -0.918
   85    HD1  PHE  11           HD1      PHE  11   1.392  -5.440  -0.879
   86    HD2  PHE  11           HD2      PHE  11  -1.794  -4.692   1.903
   87    HE1  PHE  11           HE1      PHE  11   1.366  -7.842  -0.263
   88    HE2  PHE  11           HE2      PHE  11  -1.821  -7.094   2.518
   89    HZ   PHE  11           HZ       PHE  11  -0.240  -8.669   1.435
   90    H    ASN  12           HN       ASN  12   0.243  -0.609  -0.350
   91    HA   ASN  12           HA       ASN  12   2.661  -0.447  -1.903
   92   1HB   ASN  12          HB2       ASN  12   0.189   0.601  -2.044
   93   2HB   ASN  12          HB1       ASN  12   1.015   1.969  -1.298
   94   1HD2  ASN  12          HD21      ASN  12   3.619   1.271  -2.647
   95   2HD2  ASN  12          HD22      ASN  12   3.424   1.740  -4.266
   96    H    ARG  13           HN       ARG  13   1.512   1.632   0.793
   97    HA   ARG  13           HA       ARG  13   3.865   3.161   1.127
   98   1HB   ARG  13          HB2       ARG  13   1.695   3.623   2.183
   99   2HB   ARG  13          HB1       ARG  13   1.839   2.156   3.154
  100   1HG   ARG  13          HG2       ARG  13   4.222   3.454   3.672
  101   2HG   ARG  13          HG1       ARG  13   3.074   4.789   3.557
  102   1HD   ARG  13          HD2       ARG  13   1.843   4.070   5.394
  103   2HD   ARG  13          HD1       ARG  13   2.294   2.369   5.157
  104    HE   ARG  13           HE       ARG  13   4.679   3.199   5.791
  105   1HH1  ARG  13          HH11      ARG  13   3.812   6.016   6.343
  106   2HH1  ARG  13          HH12      ARG  13   3.568   5.990   8.058
  107   1HH2  ARG  13          HH21      ARG  13   3.468   2.529   8.259
  108   2HH2  ARG  13          HH22      ARG  13   3.374   4.016   9.143
  109    H    SER  14           HN       SER  14   2.991   0.000   2.528
  110    HA   SER  14           HA       SER  14   5.297  -0.259   4.227
  111   1HB   SER  14          HB2       SER  14   3.298  -1.590   4.532
  112   2HB   SER  14          HB1       SER  14   3.412  -2.227   2.895
  113    HG   SER  14           HG       SER  14   4.262  -3.523   4.774
  114    H    PHE  15           HN       PHE  15   4.604  -1.584   0.965
  115    HA   PHE  15           HA       PHE  15   7.089  -2.887   0.543
  116   1HB   PHE  15          HB2       PHE  15   4.729  -2.085  -0.909
  117   2HB   PHE  15          HB1       PHE  15   6.156  -1.792  -1.903
  118    HD1  PHE  15           HD1      PHE  15   6.825  -3.552  -3.261
  119    HD2  PHE  15           HD2      PHE  15   4.944  -4.415   0.503
  120    HE1  PHE  15           HE1      PHE  15   7.002  -5.982  -3.729
  121    HE2  PHE  15           HE2      PHE  15   5.120  -6.844   0.035
  122    HZ   PHE  15           HZ       PHE  15   6.149  -7.628  -2.081
  123    H    THR  16           HN       THR  16   6.098   0.426  -0.409
  124    HA   THR  16           HA       THR  16   8.628   1.204  -1.504
  125    HB   THR  16           HB       THR  16   7.574   3.536  -0.868
  126    HG1  THR  16           HG1      THR  16   5.166   2.921  -0.732
  127   1HG2  THR  16          HG21      THR  16   5.599   2.629  -2.607
  128   2HG2  THR  16          HG22      THR  16   6.951   1.533  -2.894
  129   3HG2  THR  16          HG23      THR  16   7.173   3.274  -3.071
  130    H    GLN  17           HN       GLN  17   7.222   1.669   1.754
  131    HA   GLN  17           HA       GLN  17   9.334   3.165   2.909
  132   1HB   GLN  17          HB2       GLN  17   7.069   2.705   3.860
  133   2HB   GLN  17          HB1       GLN  17   7.567   1.041   4.168
  134   1HG   GLN  17          HG2       GLN  17   7.828   2.392   6.202
  135   2HG   GLN  17          HG1       GLN  17   9.406   1.874   5.609
  136   1HE2  GLN  17          HE21      GLN  17  10.225   3.838   6.852
  137   2HE2  GLN  17          HE22      GLN  17  10.154   5.355   6.097
  138    H    ALA  18           HN       ALA  18   8.848  -0.387   2.888
  139    HA   ALA  18           HA       ALA  18  11.293  -1.028   4.249
  140   1HB   ALA  18          HB1       ALA  18  10.409  -3.110   4.041
  141   2HB   ALA  18          HB2       ALA  18  10.318  -2.977   2.285
  142   3HB   ALA  18          HB3       ALA  18   9.027  -2.315   3.288
  143    H    LEU  19           HN       LEU  19  10.474  -1.008   0.759
  144    HA   LEU  19           HA       LEU  19  12.986  -1.807  -0.265
  145   1HB   LEU  19          HB2       LEU  19  10.734  -1.447  -1.420
  146   2HB   LEU  19          HB1       LEU  19  11.136   0.270  -1.463
  147    HG   LEU  19           HG       LEU  19  13.076  -1.781  -2.512
  148   1HD1  LEU  19          HD11      LEU  19  11.543  -2.350  -4.082
  149   2HD1  LEU  19          HD12      LEU  19  11.816  -0.737  -4.743
  150   3HD1  LEU  19          HD13      LEU  19  10.472  -1.021  -3.637
  151   1HD2  LEU  19          HD21      LEU  19  14.075   0.343  -2.372
  152   2HD2  LEU  19          HD22      LEU  19  12.582   1.178  -2.801
  153   3HD2  LEU  19          HD23      LEU  19  13.491   0.305  -4.035
  154    H    GLY  20           HN       GLY  20  11.838   1.423   0.701
  155   1HA   GLY  20          HA2       GLY  20  14.278   2.754  -0.178
  156   2HA   GLY  20          HA1       GLY  20  13.000   3.478   0.803
  157    H    LYS  21           HN       LYS  21  13.751   0.617   2.305
  158    HA   LYS  21           HA       LYS  21  16.059   1.726   3.832
  159   1HB   LYS  21          HB2       LYS  21  13.829   2.455   4.796
  160   2HB   LYS  21          HB1       LYS  21  13.483   0.751   5.100
  161   1HG   LYS  21          HG2       LYS  21  16.104   1.291   6.089
  162   2HG   LYS  21          HG1       LYS  21  15.030   2.551   6.698
  163   1HD   LYS  21          HD2       LYS  21  13.413   0.605   7.269
  164   2HD   LYS  21          HD1       LYS  21  14.825  -0.433   7.074
  165   1HE   LYS  21          HE2       LYS  21  16.022   0.740   8.822
  166   2HE   LYS  21          HE1       LYS  21  14.757   1.982   8.917
  167   1HZ   LYS  21          HZ1       LYS  21  14.600  -0.869   9.674
  168   2HZ   LYS  21          HZ2       LYS  21  13.195   0.001   9.278
  169   3HZ   LYS  21          HZ3       LYS  21  14.163   0.495  10.583
  170   1HN   NH2  22          1HN       NH2  22  17.326  -0.114   3.023
  171   2HN   NH2  22          2HN       NH2  22  17.005  -1.704   3.524
  Start of MODEL   12
    1   1H    SER   1          1H        SER   1 -13.398  -4.778  -5.165
    2   2H    SER   1          2H        SER   1 -14.439  -5.041  -6.480
    3   3H    SER   1          3H        SER   1 -13.178  -6.133  -6.161
    4    HA   SER   1           HA       SER   1 -15.801  -5.916  -4.918
    5   1HB   SER   1          HB2       SER   1 -13.732  -7.933  -5.742
    6   2HB   SER   1          HB1       SER   1 -15.005  -8.416  -4.624
    7    HG   SER   1           HG       SER   1 -16.522  -7.701  -6.167
    8    H    GLY   2           HN       GLY   2 -15.730  -4.992  -2.867
    9   1HA   GLY   2          HA2       GLY   2 -15.384  -5.323  -0.505
   10   2HA   GLY   2          HA1       GLY   2 -13.982  -6.327  -0.877
   11    H    SER   3           HN       SER   3 -14.607  -3.601   0.640
   12    HA   SER   3           HA       SER   3 -13.217  -1.448  -0.432
   13   1HB   SER   3          HB2       SER   3 -12.490  -1.256   2.129
   14   2HB   SER   3          HB1       SER   3 -14.173  -1.069   1.647
   15    HG   SER   3           HG       SER   3 -13.088  -2.898   3.248
   16    H    LEU   4           HN       LEU   4 -11.138  -1.194  -1.145
   17    HA   LEU   4           HA       LEU   4  -9.020  -2.995  -0.014
   18   1HB   LEU   4          HB2       LEU   4  -8.130  -3.138  -2.313
   19   2HB   LEU   4          HB1       LEU   4  -9.803  -3.693  -2.264
   20    HG   LEU   4           HG       LEU   4  -9.735  -0.839  -2.685
   21   1HD1  LEU   4          HD11      LEU   4  -7.529  -1.196  -3.665
   22   2HD1  LEU   4          HD12      LEU   4  -8.694  -0.900  -4.955
   23   3HD1  LEU   4          HD13      LEU   4  -8.143  -2.542  -4.626
   24   1HD2  LEU   4          HD21      LEU   4 -11.672  -1.842  -3.438
   25   2HD2  LEU   4          HD22      LEU   4 -10.835  -3.307  -3.955
   26   3HD2  LEU   4          HD23      LEU   4 -10.763  -1.853  -4.950
   27    H    SER   5           HN       SER   5 -10.067   0.155  -0.401
   28    HA   SER   5           HA       SER   5  -7.875   1.696  -1.210
   29   1HB   SER   5          HB2       SER   5  -9.825   2.120   1.077
   30   2HB   SER   5          HB1       SER   5  -8.851   3.390   0.341
   31    HG   SER   5           HG       SER   5  -9.914   2.389  -1.693
   32    H    THR   6           HN       THR   6  -8.575   1.247   2.266
   33    HA   THR   6           HA       THR   6  -6.104   1.951   3.317
   34    HB   THR   6           HB       THR   6  -6.868  -0.103   4.947
   35    HG1  THR   6           HG1      THR   6  -9.330   0.289   4.595
   36   1HG2  THR   6          HG21      THR   6  -8.427   2.480   4.733
   37   2HG2  THR   6          HG22      THR   6  -6.782   2.405   5.364
   38   3HG2  THR   6          HG23      THR   6  -8.083   1.545   6.188
   39    H    PHE   7           HN       PHE   7  -7.064  -1.326   2.227
   40    HA   PHE   7           HA       PHE   7  -4.687  -2.715   2.821
   41   1HB   PHE   7          HB2       PHE   7  -7.098  -3.169   1.543
   42   2HB   PHE   7          HB1       PHE   7  -5.929  -3.369   0.236
   43    HD1  PHE   7           HD1      PHE   7  -6.634  -4.418   3.757
   44    HD2  PHE   7           HD2      PHE   7  -4.668  -5.350   0.053
   45    HE1  PHE   7           HE1      PHE   7  -6.023  -6.652   4.643
   46    HE2  PHE   7           HE2      PHE   7  -4.056  -7.583   0.939
   47    HZ   PHE   7           HZ       PHE   7  -4.734  -8.234   3.235
   48    H    PHE   8           HN       PHE   8  -5.531  -1.287  -0.364
   49    HA   PHE   8           HA       PHE   8  -3.038  -1.640  -1.628
   50   1HB   PHE   8          HB2       PHE   8  -5.433  -0.667  -2.317
   51   2HB   PHE   8          HB1       PHE   8  -4.603   0.870  -2.067
   52    HD1  PHE   8           HD1      PHE   8  -4.357  -2.388  -3.874
   53    HD2  PHE   8           HD2      PHE   8  -3.086   1.711  -3.675
   54    HE1  PHE   8           HE1      PHE   8  -3.246  -2.625  -6.078
   55    HE2  PHE   8           HE2      PHE   8  -1.974   1.473  -5.879
   56    HZ   PHE   8           HZ       PHE   8  -2.055  -0.695  -7.081
   57    H    ARG   9           HN       ARG   9  -4.182   1.226   0.198
   58    HA   ARG   9           HA       ARG   9  -1.862   2.821  -0.020
   59   1HB   ARG   9          HB2       ARG   9  -4.298   3.022   1.129
   60   2HB   ARG   9          HB1       ARG   9  -3.328   2.733   2.573
   61   1HG   ARG   9          HG2       ARG   9  -2.473   4.785   0.540
   62   2HG   ARG   9          HG1       ARG   9  -3.651   5.191   1.788
   63   1HD   ARG   9          HD2       ARG   9  -2.049   4.502   3.541
   64   2HD   ARG   9          HD1       ARG   9  -0.859   4.094   2.288
   65    HE   ARG   9           HE       ARG   9  -0.385   6.402   2.232
   66   1HH1  ARG   9          HH11      ARG   9  -2.970   6.271   4.260
   67   2HH1  ARG   9          HH12      ARG   9  -3.719   7.744   3.741
   68   1HH2  ARG   9          HH21      ARG   9  -1.660   8.125   0.977
   69   2HH2  ARG   9          HH22      ARG   9  -2.977   8.794   1.882
   70    H    LEU  10           HN       LEU  10  -2.704   0.582   2.659
   71    HA   LEU  10           HA       LEU  10  -0.297   0.801   4.124
   72   1HB   LEU  10          HB2       LEU  10  -2.670  -0.760   4.057
   73   2HB   LEU  10          HB1       LEU  10  -1.320  -1.893   4.141
   74    HG   LEU  10           HG       LEU  10  -2.156  -1.122   6.392
   75   1HD1  LEU  10          HD11      LEU  10  -0.060  -1.733   6.943
   76   2HD1  LEU  10          HD12      LEU  10   0.440  -0.059   6.707
   77   3HD1  LEU  10          HD13      LEU  10   0.550  -1.208   5.373
   78   1HD2  LEU  10          HD21      LEU  10  -2.425   1.301   5.340
   79   2HD2  LEU  10          HD22      LEU  10  -0.756   1.481   5.879
   80   3HD2  LEU  10          HD23      LEU  10  -2.025   1.105   7.046
   81    H    PHE  11           HN       PHE  11  -1.139  -1.605   1.600
   82    HA   PHE  11           HA       PHE  11   1.286  -3.039   1.542
   83   1HB   PHE  11          HB2       PHE  11  -1.089  -3.039   0.207
   84   2HB   PHE  11          HB1       PHE  11  -0.018  -2.423  -1.050
   85    HD1  PHE  11           HD1      PHE  11   0.480  -4.909   1.716
   86    HD2  PHE  11           HD2      PHE  11   0.545  -4.154  -2.512
   87    HE1  PHE  11           HE1      PHE  11   1.338  -7.202   1.320
   88    HE2  PHE  11           HE2      PHE  11   1.404  -6.448  -2.908
   89    HZ   PHE  11           HZ       PHE  11   1.800  -7.971  -0.992
   90    H    ASN  12           HN       ASN  12   0.391  -0.160  -0.400
   91    HA   ASN  12           HA       ASN  12   2.859   0.123  -1.788
   92   1HB   ASN  12          HB2       ASN  12   0.778   1.279  -2.367
   93   2HB   ASN  12          HB1       ASN  12   0.817   2.161  -0.839
   94   1HD2  ASN  12          HD21      ASN  12   1.801   4.186  -0.934
   95   2HD2  ASN  12          HD22      ASN  12   2.897   4.680  -2.132
   96    H    ARG  13           HN       ARG  13   1.757   1.762   1.209
   97    HA   ARG  13           HA       ARG  13   4.084   3.244   1.774
   98   1HB   ARG  13          HB2       ARG  13   1.751   3.118   2.899
   99   2HB   ARG  13          HB1       ARG  13   2.438   1.809   3.861
  100   1HG   ARG  13          HG2       ARG  13   3.562   4.618   3.653
  101   2HG   ARG  13          HG1       ARG  13   2.674   3.966   5.030
  102   1HD   ARG  13          HD2       ARG  13   4.449   2.153   5.192
  103   2HD   ARG  13          HD1       ARG  13   5.387   3.079   4.003
  104    HE   ARG  13           HE       ARG  13   5.513   4.917   5.598
  105   1HH1  ARG  13          HH11      ARG  13   6.328   2.477   7.228
  106   2HH1  ARG  13          HH12      ARG  13   5.404   2.715   8.674
  107   1HH2  ARG  13          HH21      ARG  13   3.284   5.061   7.250
  108   2HH2  ARG  13          HH22      ARG  13   3.681   4.178   8.687
  109    H    SER  14           HN       SER  14   3.267  -0.021   3.027
  110    HA   SER  14           HA       SER  14   5.715  -0.532   4.357
  111   1HB   SER  14          HB2       SER  14   3.340  -1.791   3.996
  112   2HB   SER  14          HB1       SER  14   4.355  -2.760   2.931
  113    HG   SER  14           HG       SER  14   4.207  -2.786   5.597
  114    H    PHE  15           HN       PHE  15   4.768  -1.256   0.984
  115    HA   PHE  15           HA       PHE  15   7.124  -2.599   0.164
  116   1HB   PHE  15          HB2       PHE  15   4.761  -1.388  -0.955
  117   2HB   PHE  15          HB1       PHE  15   6.152  -0.978  -1.959
  118    HD1  PHE  15           HD1      PHE  15   3.663  -3.030  -2.283
  119    HD2  PHE  15           HD2      PHE  15   7.860  -3.395  -1.445
  120    HE1  PHE  15           HE1      PHE  15   3.654  -5.321  -3.232
  121    HE2  PHE  15           HE2      PHE  15   7.851  -5.686  -2.395
  122    HZ   PHE  15           HZ       PHE  15   5.747  -6.649  -3.289
  123    H    THR  16           HN       THR  16   6.339   0.892  -0.121
  124    HA   THR  16           HA       THR  16   8.846   1.719  -1.195
  125    HB   THR  16           HB       THR  16   6.772   3.096   0.539
  126    HG1  THR  16           HG1      THR  16   5.960   3.745  -1.391
  127   1HG2  THR  16          HG21      THR  16   9.371   3.989  -0.087
  128   2HG2  THR  16          HG22      THR  16   8.040   4.952   0.558
  129   3HG2  THR  16          HG23      THR  16   8.291   4.848  -1.186
  130    H    GLN  17           HN       GLN  17   7.706   1.681   2.204
  131    HA   GLN  17           HA       GLN  17  10.133   2.645   3.371
  132   1HB   GLN  17          HB2       GLN  17   7.556   1.771   4.138
  133   2HB   GLN  17          HB1       GLN  17   8.694   0.775   5.046
  134   1HG   GLN  17          HG2       GLN  17   9.317   3.678   4.890
  135   2HG   GLN  17          HG1       GLN  17   7.925   3.226   5.876
  136   1HE2  GLN  17          HE21      GLN  17   8.322   2.131   7.870
  137   2HE2  GLN  17          HE22      GLN  17   9.882   1.794   8.448
  138    H    ALA  18           HN       ALA  18   8.947  -0.689   2.837
  139    HA   ALA  18           HA       ALA  18  11.182  -2.040   4.007
  140   1HB   ALA  18          HB1       ALA  18  10.191  -3.955   3.008
  141   2HB   ALA  18          HB2       ALA  18   9.539  -3.016   1.665
  142   3HB   ALA  18          HB3       ALA  18   8.836  -2.857   3.276
  143    H    LEU  19           HN       LEU  19  10.456  -1.678   0.509
  144    HA   LEU  19           HA       LEU  19  12.973  -2.512  -0.464
  145   1HB   LEU  19          HB2       LEU  19  10.590  -1.068  -1.380
  146   2HB   LEU  19          HB1       LEU  19  12.052  -0.588  -2.243
  147    HG   LEU  19           HG       LEU  19  12.545  -3.022  -2.627
  148   1HD1  LEU  19          HD11      LEU  19   9.722  -3.729  -2.069
  149   2HD1  LEU  19          HD12      LEU  19  10.731  -3.467  -0.647
  150   3HD1  LEU  19          HD13      LEU  19  11.187  -4.682  -1.841
  151   1HD2  LEU  19          HD21      LEU  19  10.911  -3.275  -4.422
  152   2HD2  LEU  19          HD22      LEU  19  11.382  -1.579  -4.313
  153   3HD2  LEU  19          HD23      LEU  19   9.836  -2.109  -3.649
  154    H    GLY  20           HN       GLY  20  11.986   0.568   0.909
  155   1HA   GLY  20          HA2       GLY  20  13.344   2.355   1.639
  156   2HA   GLY  20          HA1       GLY  20  14.759   1.428   1.128
  157    H    LYS  21           HN       LYS  21  12.706   1.409  -1.477
  158    HA   LYS  21           HA       LYS  21  14.299   3.484  -2.849
  159   1HB   LYS  21          HB2       LYS  21  13.186   1.025  -3.491
  160   2HB   LYS  21          HB1       LYS  21  12.106   2.169  -4.291
  161   1HG   LYS  21          HG2       LYS  21  13.757   2.962  -5.696
  162   2HG   LYS  21          HG1       LYS  21  15.047   2.629  -4.540
  163   1HD   LYS  21          HD2       LYS  21  14.573   0.148  -4.940
  164   2HD   LYS  21          HD1       LYS  21  13.594   0.661  -6.315
  165   1HE   LYS  21          HE2       LYS  21  16.294   1.884  -6.177
  166   2HE   LYS  21          HE1       LYS  21  16.258   0.142  -6.516
  167   1HZ   LYS  21          HZ1       LYS  21  14.964   2.341  -8.004
  168   2HZ   LYS  21          HZ2       LYS  21  14.345   0.761  -8.092
  169   3HZ   LYS  21          HZ3       LYS  21  15.935   1.084  -8.599
  170   1HN   NH2  22          1HN       NH2  22  11.305   3.379  -1.165
  171   2HN   NH2  22          2HN       NH2  22  10.599   4.766  -1.843
  Start of MODEL   13
    1   1H    SER   1          1H        SER   1 -19.663  -3.495   1.672
    2   2H    SER   1          2H        SER   1 -18.470  -4.460   0.945
    3   3H    SER   1          3H        SER   1 -19.970  -4.239   0.180
    4    HA   SER   1           HA       SER   1 -19.477  -2.118  -0.527
    5   1HB   SER   1          HB2       SER   1 -17.406  -2.080   1.689
    6   2HB   SER   1          HB1       SER   1 -17.947  -0.699   0.738
    7    HG   SER   1           HG       SER   1 -20.129  -1.397   1.587
    8    H    GLY   2           HN       GLY   2 -16.553  -1.303  -0.425
    9   1HA   GLY   2          HA2       GLY   2 -14.906  -3.405  -1.425
   10   2HA   GLY   2          HA1       GLY   2 -15.664  -2.591  -2.795
   11    H    SER   3           HN       SER   3 -14.145  -1.570   0.291
   12    HA   SER   3           HA       SER   3 -12.823   0.651  -1.215
   13   1HB   SER   3          HB2       SER   3 -12.441   1.146   1.442
   14   2HB   SER   3          HB1       SER   3 -13.859   1.683   0.545
   15    HG   SER   3           HG       SER   3 -13.537  -0.596   2.190
   16    H    LEU   4           HN       LEU   4 -11.228  -1.061  -2.007
   17    HA   LEU   4           HA       LEU   4  -9.458  -2.380  -0.131
   18   1HB   LEU   4          HB2       LEU   4  -9.264  -1.690  -3.081
   19   2HB   LEU   4          HB1       LEU   4  -8.157  -2.779  -2.243
   20    HG   LEU   4           HG       LEU   4 -11.157  -3.148  -2.496
   21   1HD1  LEU   4          HD11      LEU   4 -10.302  -5.257  -3.728
   22   2HD1  LEU   4          HD12      LEU   4  -8.762  -4.404  -3.837
   23   3HD1  LEU   4          HD13      LEU   4 -10.204  -3.718  -4.586
   24   1HD2  LEU   4          HD21      LEU   4  -9.219  -4.197  -0.628
   25   2HD2  LEU   4          HD22      LEU   4  -9.848  -5.504  -1.633
   26   3HD2  LEU   4          HD23      LEU   4 -10.955  -4.496  -0.700
   27    H    SER   5           HN       SER   5  -9.784   0.861  -0.912
   28    HA   SER   5           HA       SER   5  -7.272   1.951  -1.362
   29   1HB   SER   5          HB2       SER   5  -9.748   2.837  -0.614
   30   2HB   SER   5          HB1       SER   5  -8.822   3.179   0.844
   31    HG   SER   5           HG       SER   5  -7.676   3.830  -1.613
   32    H    THR   6           HN       THR   6  -8.586   1.236   1.903
   33    HA   THR   6           HA       THR   6  -6.337   1.814   3.454
   34    HB   THR   6           HB       THR   6  -7.776  -0.684   4.124
   35    HG1  THR   6           HG1      THR   6  -9.741   0.114   3.970
   36   1HG2  THR   6          HG21      THR   6  -6.672   0.389   5.908
   37   2HG2  THR   6          HG22      THR   6  -8.357   0.864   6.119
   38   3HG2  THR   6          HG23      THR   6  -7.207   1.989   5.395
   39    H    PHE   7           HN       PHE   7  -7.144  -1.491   2.308
   40    HA   PHE   7           HA       PHE   7  -4.720  -2.748   2.966
   41   1HB   PHE   7          HB2       PHE   7  -7.047  -3.169   1.275
   42   2HB   PHE   7          HB1       PHE   7  -5.599  -3.850   0.532
   43    HD1  PHE   7           HD1      PHE   7  -5.219  -6.085   1.032
   44    HD2  PHE   7           HD2      PHE   7  -6.984  -3.546   4.014
   45    HE1  PHE   7           HE1      PHE   7  -5.304  -7.996   2.610
   46    HE2  PHE   7           HE2      PHE   7  -7.068  -5.458   5.592
   47    HZ   PHE   7           HZ       PHE   7  -6.228  -7.682   4.890
   48    H    PHE   8           HN       PHE   8  -5.575  -1.441  -0.269
   49    HA   PHE   8           HA       PHE   8  -3.130  -1.770  -1.573
   50   1HB   PHE   8          HB2       PHE   8  -5.174  -0.942  -2.622
   51   2HB   PHE   8          HB1       PHE   8  -5.109   0.531  -1.655
   52    HD1  PHE   8           HD1      PHE   8  -3.523   2.303  -2.152
   53    HD2  PHE   8           HD2      PHE   8  -3.553  -1.335  -4.435
   54    HE1  PHE   8           HE1      PHE   8  -2.068   3.362  -3.858
   55    HE2  PHE   8           HE2      PHE   8  -2.098  -0.277  -6.141
   56    HZ   PHE   8           HZ       PHE   8  -1.354   2.072  -5.853
   57    H    ARG   9           HN       ARG   9  -4.116   1.224   0.152
   58    HA   ARG   9           HA       ARG   9  -1.699   2.630   0.016
   59   1HB   ARG   9          HB2       ARG   9  -4.143   2.958   1.157
   60   2HB   ARG   9          HB1       ARG   9  -3.165   2.678   2.599
   61   1HG   ARG   9          HG2       ARG   9  -2.572   4.851   2.480
   62   2HG   ARG   9          HG1       ARG   9  -1.624   4.421   1.057
   63   1HD   ARG   9          HD2       ARG   9  -4.328   4.652   0.197
   64   2HD   ARG   9          HD1       ARG   9  -3.962   6.084   1.180
   65    HE   ARG   9           HE       ARG   9  -1.711   5.916  -0.317
   66   1HH1  ARG   9          HH11      ARG   9  -4.545   7.366  -0.861
   67   2HH1  ARG   9          HH12      ARG   9  -4.573   7.196  -2.585
   68   1HH2  ARG   9          HH21      ARG   9  -1.949   4.933  -2.673
   69   2HH2  ARG   9          HH22      ARG   9  -3.104   5.819  -3.610
   70    H    LEU  10           HN       LEU  10  -2.717   0.440   2.673
   71    HA   LEU  10           HA       LEU  10  -0.387   0.516   4.236
   72   1HB   LEU  10          HB2       LEU  10  -2.681  -1.252   3.755
   73   2HB   LEU  10          HB1       LEU  10  -1.261  -2.115   4.344
   74    HG   LEU  10           HG       LEU  10  -2.736  -1.264   6.184
   75   1HD1  LEU  10          HD11      LEU  10  -0.915  -0.908   7.522
   76   2HD1  LEU  10          HD12      LEU  10  -0.260   0.344   6.468
   77   3HD1  LEU  10          HD13      LEU  10  -0.025  -1.357   6.068
   78   1HD2  LEU  10          HD21      LEU  10  -3.491   0.860   6.143
   79   2HD2  LEU  10          HD22      LEU  10  -2.696   1.073   4.583
   80   3HD2  LEU  10          HD23      LEU  10  -1.841   1.478   6.072
   81    H    PHE  11           HN       PHE  11  -1.122  -1.920   1.699
   82    HA   PHE  11           HA       PHE  11   1.361  -3.248   1.679
   83   1HB   PHE  11          HB2       PHE  11  -0.965  -3.505   0.394
   84   2HB   PHE  11          HB1       PHE  11  -0.077  -2.677  -0.884
   85    HD1  PHE  11           HD1      PHE  11  -1.118  -5.632  -0.792
   86    HD2  PHE  11           HD2      PHE  11   2.688  -3.805   0.002
   87    HE1  PHE  11           HE1      PHE  11   0.023  -7.755  -1.378
   88    HE2  PHE  11           HE2      PHE  11   3.829  -5.928  -0.584
   89    HZ   PHE  11           HZ       PHE  11   2.497  -7.903  -1.273
   90    H    ASN  12           HN       ASN  12   0.356  -0.452  -0.331
   91    HA   ASN  12           HA       ASN  12   2.796  -0.090  -1.734
   92   1HB   ASN  12          HB2       ASN  12   0.300   1.278  -1.223
   93   2HB   ASN  12          HB1       ASN  12   1.630   2.436  -1.226
   94   1HD2  ASN  12          HD21      ASN  12   0.110  -0.139  -3.200
   95   2HD2  ASN  12          HD22      ASN  12   0.707   0.429  -4.684
   96    H    ARG  13           HN       ARG  13   1.707   1.364   1.351
   97    HA   ARG  13           HA       ARG  13   3.996   2.980   1.843
   98   1HB   ARG  13          HB2       ARG  13   1.592   2.495   3.015
   99   2HB   ARG  13          HB1       ARG  13   2.658   1.638   4.130
  100   1HG   ARG  13          HG2       ARG  13   2.778   3.744   5.062
  101   2HG   ARG  13          HG1       ARG  13   4.089   3.883   3.890
  102   1HD   ARG  13          HD2       ARG  13   1.237   4.875   3.574
  103   2HD   ARG  13          HD1       ARG  13   2.725   5.843   3.587
  104    HE   ARG  13           HE       ARG  13   1.944   3.953   1.411
  105   1HH1  ARG  13          HH11      ARG  13   4.809   5.106   2.519
  106   2HH1  ARG  13          HH12      ARG  13   5.211   6.054   1.126
  107   1HH2  ARG  13          HH21      ARG  13   2.070   5.752  -0.313
  108   2HH2  ARG  13          HH22      ARG  13   3.661   6.419  -0.477
  109    H    SER  14           HN       SER  14   3.279  -0.344   2.985
  110    HA   SER  14           HA       SER  14   5.720  -0.790   4.372
  111   1HB   SER  14          HB2       SER  14   3.380  -2.204   3.526
  112   2HB   SER  14          HB1       SER  14   4.784  -3.189   3.124
  113    HG   SER  14           HG       SER  14   5.474  -2.638   5.364
  114    H    PHE  15           HN       PHE  15   4.839  -1.658   1.006
  115    HA   PHE  15           HA       PHE  15   7.321  -2.788   0.233
  116   1HB   PHE  15          HB2       PHE  15   4.861  -2.278  -0.879
  117   2HB   PHE  15          HB1       PHE  15   5.891  -1.162  -1.776
  118    HD1  PHE  15           HD1      PHE  15   6.135  -4.675  -0.455
  119    HD2  PHE  15           HD2      PHE  15   6.773  -1.999  -3.755
  120    HE1  PHE  15           HE1      PHE  15   6.994  -6.559  -1.818
  121    HE2  PHE  15           HE2      PHE  15   7.633  -3.883  -5.117
  122    HZ   PHE  15           HZ       PHE  15   7.743  -6.165  -4.149
  123    H    THR  16           HN       THR  16   6.196   0.603   0.002
  124    HA   THR  16           HA       THR  16   8.581   1.644  -1.210
  125    HB   THR  16           HB       THR  16   6.393   2.844   0.513
  126    HG1  THR  16           HG1      THR  16   6.806   2.333  -2.188
  127   1HG2  THR  16          HG21      THR  16   7.468   4.858  -1.074
  128   2HG2  THR  16          HG22      THR  16   8.886   3.993  -0.479
  129   3HG2  THR  16          HG23      THR  16   7.719   4.663   0.661
  130    H    GLN  17           HN       GLN  17   7.479   1.813   2.204
  131    HA   GLN  17           HA       GLN  17   9.768   2.995   3.333
  132   1HB   GLN  17          HB2       GLN  17   7.514   2.418   4.367
  133   2HB   GLN  17          HB1       GLN  17   8.111   0.769   4.552
  134   1HG   GLN  17          HG2       GLN  17  10.189   2.143   5.624
  135   2HG   GLN  17          HG1       GLN  17   8.858   3.225   6.036
  136   1HE2  GLN  17          HE21      GLN  17   7.199   2.422   7.500
  137   2HE2  GLN  17          HE22      GLN  17   7.415   0.997   8.395
  138    H    ALA  18           HN       ALA  18   9.137  -0.465   2.698
  139    HA   ALA  18           HA       ALA  18  11.596  -1.435   3.841
  140   1HB   ALA  18          HB1       ALA  18   9.799  -2.952   3.536
  141   2HB   ALA  18          HB2       ALA  18  10.960  -3.417   2.294
  142   3HB   ALA  18          HB3       ALA  18   9.550  -2.449   1.864
  143    H    LEU  19           HN       LEU  19  10.641  -0.868   0.429
  144    HA   LEU  19           HA       LEU  19  13.078  -1.520  -0.821
  145   1HB   LEU  19          HB2       LEU  19  10.892   0.493  -1.377
  146   2HB   LEU  19          HB1       LEU  19  12.227   0.245  -2.505
  147    HG   LEU  19           HG       LEU  19  10.797  -2.176  -1.503
  148   1HD1  LEU  19          HD11      LEU  19   9.170  -0.221  -2.286
  149   2HD1  LEU  19          HD12      LEU  19   8.888  -1.891  -2.784
  150   3HD1  LEU  19          HD13      LEU  19   9.672  -0.761  -3.888
  151   1HD2  LEU  19          HD21      LEU  19  11.962  -3.099  -3.199
  152   2HD2  LEU  19          HD22      LEU  19  12.727  -1.533  -3.463
  153   3HD2  LEU  19          HD23      LEU  19  11.264  -1.960  -4.350
  154    H    GLY  20           HN       GLY  20  12.090   1.544   0.709
  155   1HA   GLY  20          HA2       GLY  20  13.818   2.878   1.873
  156   2HA   GLY  20          HA1       GLY  20  14.958   2.384   0.619
  157    H    LYS  21           HN       LYS  21  12.096   2.939  -0.963
  158    HA   LYS  21           HA       LYS  21  12.633   5.866  -1.302
  159   1HB   LYS  21          HB2       LYS  21  13.571   3.988  -3.007
  160   2HB   LYS  21          HB1       LYS  21  11.963   4.222  -3.692
  161   1HG   LYS  21          HG2       LYS  21  13.892   6.479  -3.080
  162   2HG   LYS  21          HG1       LYS  21  13.693   5.752  -4.674
  163   1HD   LYS  21          HD2       LYS  21  11.428   6.483  -4.837
  164   2HD   LYS  21          HD1       LYS  21  11.364   6.897  -3.123
  165   1HE   LYS  21          HE2       LYS  21  12.075   8.992  -3.600
  166   2HE   LYS  21          HE1       LYS  21  13.548   8.330  -4.338
  167   1HZ   LYS  21          HZ1       LYS  21  10.957   8.221  -5.750
  168   2HZ   LYS  21          HZ2       LYS  21  12.524   8.113  -6.396
  169   3HZ   LYS  21          HZ3       LYS  21  11.931   9.606  -5.843
  170   1HN   NH2  22          1HN       NH2  22  10.647   6.824  -0.751
  171   2HN   NH2  22          2HN       NH2  22   9.121   6.234  -1.203
  Start of MODEL   14
    1   1H    SER   1          1H        SER   1 -10.336   2.687  -9.107
    2   2H    SER   1          2H        SER   1  -8.896   1.838  -9.410
    3   3H    SER   1          3H        SER   1  -8.977   2.951  -8.128
    4    HA   SER   1           HA       SER   1 -10.099   0.233  -8.299
    5   1HB   SER   1          HB2       SER   1  -8.638   1.925  -6.247
    6   2HB   SER   1          HB1       SER   1  -9.092   0.240  -6.013
    7    HG   SER   1           HG       SER   1  -7.614   1.050  -8.272
    8    H    GLY   2           HN       GLY   2 -10.308   2.921  -5.947
    9   1HA   GLY   2          HA2       GLY   2 -12.211   3.896  -4.945
   10   2HA   GLY   2          HA1       GLY   2 -13.214   3.035  -6.114
   11    H    SER   3           HN       SER   3 -10.918   1.158  -4.344
   12    HA   SER   3           HA       SER   3 -12.693   0.483  -2.121
   13   1HB   SER   3          HB2       SER   3 -12.676  -1.984  -3.243
   14   2HB   SER   3          HB1       SER   3 -13.971  -0.821  -3.515
   15    HG   SER   3           HG       SER   3 -13.076  -1.697  -5.463
   16    H    LEU   4           HN       LEU   4 -11.702  -1.217  -0.748
   17    HA   LEU   4           HA       LEU   4  -9.829  -2.210   0.299
   18   1HB   LEU   4          HB2       LEU   4  -9.956  -2.978  -2.360
   19   2HB   LEU   4          HB1       LEU   4  -8.294  -2.407  -2.200
   20    HG   LEU   4           HG       LEU   4  -8.844  -3.916   0.131
   21   1HD1  LEU   4          HD11      LEU   4  -9.181  -5.995  -1.800
   22   2HD1  LEU   4          HD12      LEU   4 -10.455  -4.803  -2.059
   23   3HD1  LEU   4          HD13      LEU   4 -10.259  -5.555  -0.476
   24   1HD2  LEU   4          HD21      LEU   4  -6.707  -3.600  -1.251
   25   2HD2  LEU   4          HD22      LEU   4  -7.334  -4.859  -2.316
   26   3HD2  LEU   4          HD23      LEU   4  -6.993  -5.223  -0.625
   27    H    SER   5           HN       SER   5  -9.872   0.804  -0.684
   28    HA   SER   5           HA       SER   5  -7.364   1.823  -1.267
   29   1HB   SER   5          HB2       SER   5  -8.968   3.455  -1.003
   30   2HB   SER   5          HB1       SER   5  -9.701   2.650   0.382
   31    HG   SER   5           HG       SER   5  -7.240   4.073   0.335
   32    H    THR   6           HN       THR   6  -8.531   1.177   2.068
   33    HA   THR   6           HA       THR   6  -6.221   1.749   3.518
   34    HB   THR   6           HB       THR   6  -8.181  -0.548   3.840
   35    HG1  THR   6           HG1      THR   6  -9.486   1.012   4.282
   36   1HG2  THR   6          HG21      THR   6  -7.128  -1.080   5.753
   37   2HG2  THR   6          HG22      THR   6  -7.159   0.601   6.288
   38   3HG2  THR   6          HG23      THR   6  -5.830   0.018   5.285
   39    H    PHE   7           HN       PHE   7  -7.054  -1.596   2.528
   40    HA   PHE   7           HA       PHE   7  -4.616  -2.838   3.041
   41   1HB   PHE   7          HB2       PHE   7  -6.607  -3.203   0.782
   42   2HB   PHE   7          HB1       PHE   7  -5.339  -4.371   1.159
   43    HD1  PHE   7           HD1      PHE   7  -8.561  -2.983   2.170
   44    HD2  PHE   7           HD2      PHE   7  -5.324  -5.546   3.356
   45    HE1  PHE   7           HE1      PHE   7  -9.987  -3.962   3.946
   46    HE2  PHE   7           HE2      PHE   7  -6.751  -6.526   5.131
   47    HZ   PHE   7           HZ       PHE   7  -9.083  -5.734   5.427
   48    H    PHE   8           HN       PHE   8  -5.561  -1.491  -0.151
   49    HA   PHE   8           HA       PHE   8  -3.118  -1.806  -1.494
   50   1HB   PHE   8          HB2       PHE   8  -5.305  -1.032  -2.423
   51   2HB   PHE   8          HB1       PHE   8  -5.059   0.526  -1.636
   52    HD1  PHE   8           HD1      PHE   8  -2.981   1.883  -2.235
   53    HD2  PHE   8           HD2      PHE   8  -4.299  -1.511  -4.514
   54    HE1  PHE   8           HE1      PHE   8  -1.609   2.641  -4.158
   55    HE2  PHE   8           HE2      PHE   8  -2.928  -0.753  -6.436
   56    HZ   PHE   8           HZ       PHE   8  -1.583   1.323  -6.258
   57    H    ARG   9           HN       ARG   9  -4.186   1.137   0.267
   58    HA   ARG   9           HA       ARG   9  -1.867   2.683   0.044
   59   1HB   ARG   9          HB2       ARG   9  -3.895   2.289   2.254
   60   2HB   ARG   9          HB1       ARG   9  -2.653   3.539   2.343
   61   1HG   ARG   9          HG2       ARG   9  -3.912   3.590  -0.256
   62   2HG   ARG   9          HG1       ARG   9  -5.137   3.699   1.010
   63   1HD   ARG   9          HD2       ARG   9  -4.255   5.693   1.874
   64   2HD   ARG   9          HD1       ARG   9  -2.646   5.390   1.189
   65    HE   ARG   9           HE       ARG   9  -4.214   5.515  -1.055
   66   1HH1  ARG   9          HH21      ARG   9  -5.778   7.227   1.127
   67   2HH1  ARG   9          HH22      ARG   9  -5.351   8.812   0.573
   68   1HH2  ARG   9          HH11      ARG   9  -2.829   7.687  -1.526
   69   2HH2  ARG   9          HH12      ARG   9  -3.681   9.072  -0.929
   70    H    LEU  10           HN       LEU  10  -2.613   0.436   2.746
   71    HA   LEU  10           HA       LEU  10  -0.145   0.621   4.105
   72   1HB   LEU  10          HB2       LEU  10  -2.518  -0.996   4.056
   73   2HB   LEU  10          HB1       LEU  10  -1.117  -2.058   4.214
   74    HG   LEU  10           HG       LEU  10  -0.328  -0.842   6.149
   75   1HD1  LEU  10          HD11      LEU  10  -0.789   1.420   5.707
   76   2HD1  LEU  10          HD12      LEU  10  -1.921   1.039   7.005
   77   3HD1  LEU  10          HD13      LEU  10  -2.483   1.099   5.334
   78   1HD2  LEU  10          HD21      LEU  10  -2.591  -2.370   6.125
   79   2HD2  LEU  10          HD22      LEU  10  -3.204  -0.887   6.859
   80   3HD2  LEU  10          HD23      LEU  10  -1.849  -1.743   7.596
   81    H    PHE  11           HN       PHE  11  -1.096  -1.615   1.478
   82    HA   PHE  11           HA       PHE  11   1.295  -3.136   1.346
   83   1HB   PHE  11          HB2       PHE  11  -1.030  -3.324   0.171
   84   2HB   PHE  11          HB1       PHE  11  -0.307  -2.293  -1.064
   85    HD1  PHE  11           HD1      PHE  11   0.956  -3.261  -2.779
   86    HD2  PHE  11           HD2      PHE  11   0.387  -5.413   0.895
   87    HE1  PHE  11           HE1      PHE  11   2.104  -5.231  -3.755
   88    HE2  PHE  11           HE2      PHE  11   1.536  -7.383  -0.081
   89    HZ   PHE  11           HZ       PHE  11   2.394  -7.292  -2.406
   90    H    ASN  12           HN       ASN  12   0.393  -0.316  -0.688
   91    HA   ASN  12           HA       ASN  12   2.872  -0.010  -2.017
   92   1HB   ASN  12          HB2       ASN  12   0.392   1.247  -1.863
   93   2HB   ASN  12          HB1       ASN  12   1.519   2.493  -1.326
   94   1HD2  ASN  12          HD21      ASN  12   2.078   3.767  -3.094
   95   2HD2  ASN  12          HD22      ASN  12   2.422   3.180  -4.650
   96    H    ARG  13           HN       ARG  13   1.729   1.734   0.906
   97    HA   ARG  13           HA       ARG  13   4.107   3.164   1.456
   98   1HB   ARG  13          HB2       ARG  13   1.945   3.556   2.536
   99   2HB   ARG  13          HB1       ARG  13   2.012   1.965   3.296
  100   1HG   ARG  13          HG2       ARG  13   3.967   2.607   4.589
  101   2HG   ARG  13          HG1       ARG  13   4.056   4.157   3.751
  102   1HD   ARG  13          HD2       ARG  13   2.873   4.855   5.613
  103   2HD   ARG  13          HD1       ARG  13   1.497   4.274   4.654
  104    HE   ARG  13           HE       ARG  13   2.244   1.973   5.851
  105   1HH1  ARG  13          HH21      ARG  13   1.089   4.994   6.893
  106   2HH1  ARG  13          HH22      ARG  13   1.066   4.581   8.574
  107   1HH2  ARG  13          HH11      ARG  13   2.588   1.500   8.111
  108   2HH2  ARG  13          HH12      ARG  13   1.915   2.603   9.264
  109    H    SER  14           HN       SER  14   3.094  -0.056   2.654
  110    HA   SER  14           HA       SER  14   5.342  -0.622   4.279
  111   1HB   SER  14          HB2       SER  14   3.307  -1.960   4.243
  112   2HB   SER  14          HB1       SER  14   3.572  -2.384   2.554
  113    HG   SER  14           HG       SER  14   4.566  -4.035   3.421
  114    H    PHE  15           HN       PHE  15   4.819  -1.551   0.850
  115    HA   PHE  15           HA       PHE  15   7.357  -2.717   0.380
  116   1HB   PHE  15          HB2       PHE  15   5.464  -2.905  -1.139
  117   2HB   PHE  15          HB1       PHE  15   5.461  -1.162  -1.407
  118    HD1  PHE  15           HD1      PHE  15   8.369  -3.497  -1.198
  119    HD2  PHE  15           HD2      PHE  15   6.004  -0.922  -3.694
  120    HE1  PHE  15           HE1      PHE  15  10.008  -3.775  -3.038
  121    HE2  PHE  15           HE2      PHE  15   7.643  -1.200  -5.534
  122    HZ   PHE  15           HZ       PHE  15   9.645  -2.627  -5.206
  123    H    THR  16           HN       THR  16   6.305   0.659  -0.226
  124    HA   THR  16           HA       THR  16   8.776   1.679  -1.166
  125    HB   THR  16           HB       THR  16   6.549   2.938   0.468
  126    HG1  THR  16           HG1      THR  16   7.051   3.043  -2.313
  127   1HG2  THR  16          HG21      THR  16   8.099   4.613  -1.391
  128   2HG2  THR  16          HG22      THR  16   9.019   4.042   0.001
  129   3HG2  THR  16          HG23      THR  16   7.538   4.967   0.244
  130    H    GLN  17           HN       GLN  17   7.517   1.496   2.179
  131    HA   GLN  17           HA       GLN  17   9.715   2.774   3.472
  132   1HB   GLN  17          HB2       GLN  17   7.279   1.709   4.148
  133   2HB   GLN  17          HB1       GLN  17   8.382   0.540   4.874
  134   1HG   GLN  17          HG2       GLN  17   9.633   2.689   5.736
  135   2HG   GLN  17          HG1       GLN  17   8.073   3.467   5.462
  136   1HE2  GLN  17          HE21      GLN  17   6.146   1.949   6.377
  137   2HE2  GLN  17          HE22      GLN  17   6.414   1.359   7.946
  138    H    ALA  18           HN       ALA  18   9.074  -0.722   2.976
  139    HA   ALA  18           HA       ALA  18  11.493  -1.689   4.124
  140   1HB   ALA  18          HB1       ALA  18  10.803  -3.734   3.179
  141   2HB   ALA  18          HB2       ALA  18  10.115  -2.948   1.759
  142   3HB   ALA  18          HB3       ALA  18   9.289  -2.840   3.313
  143    H    LEU  19           HN       LEU  19  10.728  -0.711   0.780
  144    HA   LEU  19           HA       LEU  19  13.163  -1.496  -0.459
  145   1HB   LEU  19          HB2       LEU  19  11.119  -0.778  -1.628
  146   2HB   LEU  19          HB1       LEU  19  11.310   0.852  -0.982
  147    HG   LEU  19           HG       LEU  19  13.610  -0.336  -2.476
  148   1HD1  LEU  19          HD11      LEU  19  11.277   0.972  -3.892
  149   2HD1  LEU  19          HD12      LEU  19  11.476  -0.778  -3.801
  150   3HD1  LEU  19          HD13      LEU  19  12.689   0.206  -4.619
  151   1HD2  LEU  19          HD21      LEU  19  13.269   2.239  -3.301
  152   2HD2  LEU  19          HD22      LEU  19  14.207   1.788  -1.878
  153   3HD2  LEU  19          HD23      LEU  19  12.533   2.315  -1.701
  154    H    GLY  20           HN       GLY  20  12.268   1.752   0.787
  155   1HA   GLY  20          HA2       GLY  20  15.085   2.601   0.640
  156   2HA   GLY  20          HA1       GLY  20  13.723   3.609   1.136
  157    H    LYS  21           HN       LYS  21  13.374   0.765   2.809
  158    HA   LYS  21           HA       LYS  21  13.805   0.167   5.053
  159   1HB   LYS  21          HB2       LYS  21  16.254   1.361   3.916
  160   2HB   LYS  21          HB1       LYS  21  16.195   1.370   5.679
  161   1HG   LYS  21          HG2       LYS  21  15.275  -1.164   4.543
  162   2HG   LYS  21          HG1       LYS  21  16.942  -0.789   4.100
  163   1HD   LYS  21          HD2       LYS  21  17.558  -1.514   6.142
  164   2HD   LYS  21          HD1       LYS  21  16.746  -0.098   6.812
  165   1HE   LYS  21          HE2       LYS  21  15.032  -2.446   6.104
  166   2HE   LYS  21          HE1       LYS  21  16.036  -2.565   7.563
  167   1HZ   LYS  21          HZ1       LYS  21  13.878  -0.682   6.944
  168   2HZ   LYS  21          HZ2       LYS  21  15.179  -0.118   7.879
  169   3HZ   LYS  21          HZ3       LYS  21  14.256  -1.441   8.413
  170   1HN   NH2  22          1HN       NH2  22  12.790   3.108   4.167
  171   2HN   NH2  22          2HN       NH2  22  12.798   3.933   5.650
  Start of MODEL   15
    1   1H    SER   1          1H        SER   1 -17.965  -5.436   0.552
    2   2H    SER   1          2H        SER   1 -18.832  -5.849   1.953
    3   3H    SER   1          3H        SER   1 -17.317  -6.555   1.650
    4    HA   SER   1           HA       SER   1 -17.412  -3.633   1.814
    5   1HB   SER   1          HB2       SER   1 -17.287  -5.238   4.337
    6   2HB   SER   1          HB1       SER   1 -17.855  -3.589   4.092
    7    HG   SER   1           HG       SER   1 -19.196  -5.982   3.917
    8    H    GLY   2           HN       GLY   2 -15.514  -3.558   3.902
    9   1HA   GLY   2          HA2       GLY   2 -13.326  -4.471   4.497
   10   2HA   GLY   2          HA1       GLY   2 -13.289  -5.291   2.935
   11    H    SER   3           HN       SER   3 -14.023  -3.174   1.248
   12    HA   SER   3           HA       SER   3 -13.073  -1.322   0.126
   13   1HB   SER   3          HB2       SER   3 -11.890  -0.542   2.782
   14   2HB   SER   3          HB1       SER   3 -12.586   0.492   1.539
   15    HG   SER   3           HG       SER   3 -13.842  -1.120   3.464
   16    H    LEU   4           HN       LEU   4 -11.269  -1.447  -1.150
   17    HA   LEU   4           HA       LEU   4  -8.896  -2.918  -0.188
   18   1HB   LEU   4          HB2       LEU   4 -10.132  -3.062  -2.472
   19   2HB   LEU   4          HB1       LEU   4  -9.274  -1.571  -2.862
   20    HG   LEU   4           HG       LEU   4  -7.753  -3.914  -1.756
   21   1HD1  LEU   4          HD11      LEU   4  -9.071  -3.707  -4.398
   22   2HD1  LEU   4          HD12      LEU   4  -8.496  -5.135  -3.535
   23   3HD1  LEU   4          HD13      LEU   4  -7.361  -4.141  -4.448
   24   1HD2  LEU   4          HD21      LEU   4  -6.028  -2.527  -2.173
   25   2HD2  LEU   4          HD22      LEU   4  -7.168  -1.297  -2.717
   26   3HD2  LEU   4          HD23      LEU   4  -6.490  -2.442  -3.873
   27    H    SER   5           HN       SER   5  -9.926   0.368  -0.604
   28    HA   SER   5           HA       SER   5  -7.674   1.853  -1.187
   29   1HB   SER   5          HB2       SER   5  -8.649   3.522   0.383
   30   2HB   SER   5          HB1       SER   5  -9.886   2.754  -0.608
   31    HG   SER   5           HG       SER   5  -9.876   2.893   1.962
   32    H    THR   6           HN       THR   6  -8.492   1.206   2.237
   33    HA   THR   6           HA       THR   6  -6.059   1.836   3.417
   34    HB   THR   6           HB       THR   6  -6.811  -0.185   4.976
   35    HG1  THR   6           HG1      THR   6  -9.082  -0.534   4.574
   36   1HG2  THR   6          HG21      THR   6  -8.547   2.249   4.473
   37   2HG2  THR   6          HG22      THR   6  -7.098   2.216   5.478
   38   3HG2  THR   6          HG23      THR   6  -8.521   1.289   5.953
   39    H    PHE   7           HN       PHE   7  -6.979  -1.438   2.267
   40    HA   PHE   7           HA       PHE   7  -4.551  -2.769   2.764
   41   1HB   PHE   7          HB2       PHE   7  -6.984  -3.295   1.590
   42   2HB   PHE   7          HB1       PHE   7  -5.887  -3.410   0.212
   43    HD1  PHE   7           HD1      PHE   7  -5.240  -5.599  -0.224
   44    HD2  PHE   7           HD2      PHE   7  -5.665  -4.315   3.853
   45    HE1  PHE   7           HE1      PHE   7  -4.488  -7.831   0.557
   46    HE2  PHE   7           HE2      PHE   7  -4.914  -6.547   4.634
   47    HZ   PHE   7           HZ       PHE   7  -4.325  -8.304   2.986
   48    H    PHE   8           HN       PHE   8  -5.514  -0.976  -0.185
   49    HA   PHE   8           HA       PHE   8  -3.124  -1.402  -1.674
   50   1HB   PHE   8          HB2       PHE   8  -5.248  -0.527  -2.567
   51   2HB   PHE   8          HB1       PHE   8  -5.058   0.940  -1.605
   52    HD1  PHE   8           HD1      PHE   8  -2.925  -1.123  -3.915
   53    HD2  PHE   8           HD2      PHE   8  -4.284   2.789  -2.775
   54    HE1  PHE   8           HE1      PHE   8  -1.545  -0.118  -5.715
   55    HE2  PHE   8           HE2      PHE   8  -2.904   3.794  -4.575
   56    HZ   PHE   8           HZ       PHE   8  -1.535   2.339  -6.045
   57    H    ARG   9           HN       ARG   9  -4.048   1.454   0.299
   58    HA   ARG   9           HA       ARG   9  -1.609   2.870   0.094
   59   1HB   ARG   9          HB2       ARG   9  -4.023   3.250   1.240
   60   2HB   ARG   9          HB1       ARG   9  -3.084   2.865   2.683
   61   1HG   ARG   9          HG2       ARG   9  -2.998   5.263   2.349
   62   2HG   ARG   9          HG1       ARG   9  -1.408   4.598   1.976
   63   1HD   ARG   9          HD2       ARG   9  -1.726   5.940   0.098
   64   2HD   ARG   9          HD1       ARG   9  -2.477   4.440  -0.484
   65    HE   ARG   9           HE       ARG   9  -4.374   6.022   1.015
   66   1HH1  ARG   9          HH21      ARG   9  -3.197   7.997  -0.941
   67   2HH1  ARG   9          HH22      ARG   9  -4.237   7.795  -2.312
   68   1HH2  ARG   9          HH11      ARG   9  -5.535   4.772  -1.215
   69   2HH2  ARG   9          HH12      ARG   9  -5.560   5.969  -2.467
   70    H    LEU  10           HN       LEU  10  -2.613   0.475   2.560
   71    HA   LEU  10           HA       LEU  10  -0.251   0.551   4.146
   72   1HB   LEU  10          HB2       LEU  10  -2.659  -1.008   3.813
   73   2HB   LEU  10          HB1       LEU  10  -1.292  -2.085   4.100
   74    HG   LEU  10           HG       LEU  10  -2.396  -1.314   6.213
   75   1HD1  LEU  10          HD11      LEU  10  -0.208  -1.961   6.635
   76   2HD1  LEU  10          HD12      LEU  10  -0.136  -0.270   7.130
   77   3HD1  LEU  10          HD13      LEU  10   0.468  -0.751   5.545
   78   1HD2  LEU  10          HD21      LEU  10  -2.493   0.935   6.816
   79   2HD2  LEU  10          HD22      LEU  10  -2.754   1.045   5.076
   80   3HD2  LEU  10          HD23      LEU  10  -1.160   1.382   5.751
   81    H    PHE  11           HN       PHE  11  -1.096  -1.569   1.386
   82    HA   PHE  11           HA       PHE  11   1.307  -3.105   1.361
   83   1HB   PHE  11          HB2       PHE  11  -0.812  -3.604   0.157
   84   2HB   PHE  11          HB1       PHE  11  -0.503  -2.241  -0.920
   85    HD1  PHE  11           HD1      PHE  11   1.341  -2.303  -2.544
   86    HD2  PHE  11           HD2      PHE  11   0.489  -5.655   0.002
   87    HE1  PHE  11           HE1      PHE  11   2.765  -3.748  -3.970
   88    HE2  PHE  11           HE2      PHE  11   1.912  -7.100  -1.424
   89    HZ   PHE  11           HZ       PHE  11   3.050  -6.147  -3.410
   90    H    ASN  12           HN       ASN  12   0.433  -0.224  -0.595
   91    HA   ASN  12           HA       ASN  12   2.945   0.071  -1.908
   92   1HB   ASN  12          HB2       ASN  12   0.608   1.822  -1.199
   93   2HB   ASN  12          HB1       ASN  12   2.037   2.553  -1.930
   94   1HD2  ASN  12          HD21      ASN  12   2.875   0.844  -3.849
   95   2HD2  ASN  12          HD22      ASN  12   1.645   0.478  -4.959
   96    H    ARG  13           HN       ARG  13   1.742   1.453   1.159
   97    HA   ARG  13           HA       ARG  13   4.024   3.091   1.723
   98   1HB   ARG  13          HB2       ARG  13   1.814   1.786   3.307
   99   2HB   ARG  13          HB1       ARG  13   3.071   2.716   4.125
  100   1HG   ARG  13          HG2       ARG  13   1.491   3.823   1.795
  101   2HG   ARG  13          HG1       ARG  13   0.978   4.023   3.471
  102   1HD   ARG  13          HD2       ARG  13   3.786   4.696   3.218
  103   2HD   ARG  13          HD1       ARG  13   2.814   5.648   2.078
  104    HE   ARG  13           HE       ARG  13   1.877   5.406   4.895
  105   1HH1  ARG  13          HH11      ARG  13   4.233   7.318   4.214
  106   2HH1  ARG  13          HH12      ARG  13   3.373   8.814   4.062
  107   1HH2  ARG  13          HH21      ARG  13   0.257   7.308   3.854
  108   2HH2  ARG  13          HH22      ARG  13   1.122   8.808   3.857
  109    H    SER  14           HN       SER  14   3.159  -0.135   3.042
  110    HA   SER  14           HA       SER  14   5.555  -0.608   4.473
  111   1HB   SER  14          HB2       SER  14   4.828  -2.959   4.328
  112   2HB   SER  14          HB1       SER  14   3.441  -1.907   4.599
  113    HG   SER  14           HG       SER  14   2.703  -2.411   2.690
  114    H    PHE  15           HN       PHE  15   4.729  -1.497   1.102
  115    HA   PHE  15           HA       PHE  15   7.193  -2.785   0.459
  116   1HB   PHE  15          HB2       PHE  15   5.271  -3.041  -0.940
  117   2HB   PHE  15          HB1       PHE  15   5.084  -1.297  -1.120
  118    HD1  PHE  15           HD1      PHE  15   5.547  -0.632  -3.305
  119    HD2  PHE  15           HD2      PHE  15   8.002  -3.637  -1.459
  120    HE1  PHE  15           HE1      PHE  15   7.000  -0.680  -5.314
  121    HE2  PHE  15           HE2      PHE  15   9.453  -3.686  -3.469
  122    HZ   PHE  15           HZ       PHE  15   8.952  -2.207  -5.397
  123    H    THR  16           HN       THR  16   6.153   0.596  -0.145
  124    HA   THR  16           HA       THR  16   8.553   1.540  -1.317
  125    HB   THR  16           HB       THR  16   6.370   2.789   0.361
  126    HG1  THR  16           HG1      THR  16   5.671   3.472  -1.615
  127   1HG2  THR  16          HG21      THR  16   8.952   3.918  -0.445
  128   2HG2  THR  16          HG22      THR  16   7.771   4.528   0.714
  129   3HG2  THR  16          HG23      THR  16   7.573   4.864  -1.006
  130    H    GLN  17           HN       GLN  17   7.539   1.856   2.114
  131    HA   GLN  17           HA       GLN  17  10.004   2.907   3.083
  132   1HB   GLN  17          HB2       GLN  17   7.622   1.463   4.200
  133   2HB   GLN  17          HB1       GLN  17   9.013   1.738   5.249
  134   1HG   GLN  17          HG2       GLN  17   8.738   4.025   5.252
  135   2HG   GLN  17          HG1       GLN  17   8.039   4.049   3.633
  136   1HE2  GLN  17          HE21      GLN  17   6.517   5.538   5.171
  137   2HE2  GLN  17          HE22      GLN  17   5.157   4.729   5.786
  138    H    ALA  18           HN       ALA  18   8.850  -0.460   2.807
  139    HA   ALA  18           HA       ALA  18  11.043  -1.733   4.112
  140   1HB   ALA  18          HB1       ALA  18   9.089  -2.992   3.682
  141   2HB   ALA  18          HB2       ALA  18  10.255  -3.647   2.532
  142   3HB   ALA  18          HB3       ALA  18   9.036  -2.493   1.991
  143    H    LEU  19           HN       LEU  19  10.486  -1.626   0.570
  144    HA   LEU  19           HA       LEU  19  13.077  -2.428  -0.216
  145   1HB   LEU  19          HB2       LEU  19  10.690  -1.169  -1.348
  146   2HB   LEU  19          HB1       LEU  19  12.167  -0.652  -2.163
  147    HG   LEU  19           HG       LEU  19  11.206  -2.698  -3.195
  148   1HD1  LEU  19          HD11      LEU  19  13.269  -3.786  -3.449
  149   2HD1  LEU  19          HD12      LEU  19  13.727  -3.516  -1.767
  150   3HD1  LEU  19          HD13      LEU  19  13.754  -2.177  -2.914
  151   1HD2  LEU  19          HD21      LEU  19  11.455  -3.645  -0.357
  152   2HD2  LEU  19          HD22      LEU  19  11.651  -4.811  -1.666
  153   3HD2  LEU  19          HD23      LEU  19  10.145  -3.906  -1.508
  154    H    GLY  20           HN       GLY  20  12.002   0.608   1.086
  155   1HA   GLY  20          HA2       GLY  20  14.209   2.190   0.011
  156   2HA   GLY  20          HA1       GLY  20  13.080   2.707   1.265
  157    H    LYS  21           HN       LYS  21  14.169  -0.273   2.234
  158    HA   LYS  21           HA       LYS  21  15.504   0.481   4.534
  159   1HB   LYS  21          HB2       LYS  21  15.604  -1.839   2.658
  160   2HB   LYS  21          HB1       LYS  21  16.841  -1.766   3.914
  161   1HG   LYS  21          HG2       LYS  21  15.346  -2.154   5.591
  162   2HG   LYS  21          HG1       LYS  21  14.088  -1.183   4.827
  163   1HD   LYS  21          HD2       LYS  21  13.100  -3.061   4.084
  164   2HD   LYS  21          HD1       LYS  21  14.552  -3.449   3.161
  165   1HE   LYS  21          HE2       LYS  21  15.531  -4.448   5.273
  166   2HE   LYS  21          HE1       LYS  21  13.936  -4.245   6.023
  167   1HZ   LYS  21          HZ1       LYS  21  14.547  -5.755   3.538
  168   2HZ   LYS  21          HZ2       LYS  21  12.978  -5.448   4.113
  169   3HZ   LYS  21          HZ3       LYS  21  14.044  -6.411   5.019
  170   1HN   NH2  22          1HN       NH2  22  17.318  -0.461   1.543
  171   2HN   NH2  22          2HN       NH2  22  18.639   0.564   1.838
  Start of MODEL   16
    1   1H    SER   1          1H        SER   1 -16.051   2.177  -4.919
    2   2H    SER   1          2H        SER   1 -15.440   2.056  -6.499
    3   3H    SER   1          3H        SER   1 -15.638   3.581  -5.776
    4    HA   SER   1           HA       SER   1 -13.281   2.493  -5.867
    5   1HB   SER   1          HB2       SER   1 -12.817   3.837  -3.865
    6   2HB   SER   1          HB1       SER   1 -14.033   4.643  -4.852
    7    HG   SER   1           HG       SER   1 -14.589   2.920  -2.662
    8    H    GLY   2           HN       GLY   2 -13.150   0.184  -5.695
    9   1HA   GLY   2          HA2       GLY   2 -13.154  -0.801  -2.888
   10   2HA   GLY   2          HA1       GLY   2 -14.053  -1.715  -4.100
   11    H    SER   3           HN       SER   3 -10.843  -0.125  -4.113
   12    HA   SER   3           HA       SER   3  -9.621  -2.783  -4.729
   13   1HB   SER   3          HB2       SER   3 -10.033  -1.739  -6.862
   14   2HB   SER   3          HB1       SER   3  -9.428  -0.189  -6.285
   15    HG   SER   3           HG       SER   3  -7.651  -0.935  -7.177
   16    H    LEU   4           HN       LEU   4  -8.817   0.685  -4.257
   17    HA   LEU   4           HA       LEU   4  -6.189   0.179  -3.192
   18   1HB   LEU   4          HB2       LEU   4  -7.956   2.369  -3.822
   19   2HB   LEU   4          HB1       LEU   4  -7.219   2.647  -2.243
   20    HG   LEU   4           HG       LEU   4  -5.879   3.524  -4.209
   21   1HD1  LEU   4          HD11      LEU   4  -3.921   3.139  -3.067
   22   2HD1  LEU   4          HD12      LEU   4  -4.218   1.407  -2.931
   23   3HD1  LEU   4          HD13      LEU   4  -5.045   2.530  -1.853
   24   1HD2  LEU   4          HD21      LEU   4  -4.699   0.944  -4.823
   25   2HD2  LEU   4          HD22      LEU   4  -5.356   2.153  -5.925
   26   3HD2  LEU   4          HD23      LEU   4  -6.421   0.947  -5.204
   27    H    SER   5           HN       SER   5  -8.681   1.871  -1.325
   28    HA   SER   5           HA       SER   5  -9.272   1.693   0.956
   29   1HB   SER   5          HB2       SER   5  -8.633  -1.233   0.545
   30   2HB   SER   5          HB1       SER   5  -9.875  -0.529   1.576
   31    HG   SER   5           HG       SER   5 -11.057  -0.938  -0.138
   32    H    THR   6           HN       THR   6  -8.377   1.044   3.140
   33    HA   THR   6           HA       THR   6  -5.713   1.801   3.546
   34    HB   THR   6           HB       THR   6  -7.560  -0.056   5.074
   35    HG1  THR   6           HG1      THR   6  -8.343   1.751   5.763
   36   1HG2  THR   6          HG21      THR   6  -5.477  -0.628   5.977
   37   2HG2  THR   6          HG22      THR   6  -5.990   0.701   7.018
   38   3HG2  THR   6          HG23      THR   6  -4.819   0.990   5.731
   39    H    PHE   7           HN       PHE   7  -7.023  -1.429   2.864
   40    HA   PHE   7           HA       PHE   7  -4.767  -3.033   3.390
   41   1HB   PHE   7          HB2       PHE   7  -7.262  -3.393   2.422
   42   2HB   PHE   7          HB1       PHE   7  -6.354  -3.530   0.915
   43    HD1  PHE   7           HD1      PHE   7  -4.639  -5.288   0.629
   44    HD2  PHE   7           HD2      PHE   7  -7.047  -5.045   4.179
   45    HE1  PHE   7           HE1      PHE   7  -3.966  -7.595   1.243
   46    HE2  PHE   7           HE2      PHE   7  -6.374  -7.353   4.793
   47    HZ   PHE   7           HZ       PHE   7  -4.834  -8.627   3.325
   48    H    PHE   8           HN       PHE   8  -5.665  -1.737   0.158
   49    HA   PHE   8           HA       PHE   8  -3.153  -2.331  -1.072
   50   1HB   PHE   8          HB2       PHE   8  -5.509  -1.661  -1.998
   51   2HB   PHE   8          HB1       PHE   8  -4.916  -0.008  -1.829
   52    HD1  PHE   8           HD1      PHE   8  -5.067  -2.806  -3.983
   53    HD2  PHE   8           HD2      PHE   8  -2.480   0.411  -2.794
   54    HE1  PHE   8           HE1      PHE   8  -3.801  -3.042  -6.102
   55    HE2  PHE   8           HE2      PHE   8  -1.214   0.175  -4.913
   56    HZ   PHE   8           HZ       PHE   8  -1.874  -1.552  -6.568
   57    H    ARG   9           HN       ARG   9  -4.377   0.657   0.466
   58    HA   ARG   9           HA       ARG   9  -2.139   2.330  -0.067
   59   1HB   ARG   9          HB2       ARG   9  -4.576   2.392   1.325
   60   2HB   ARG   9          HB1       ARG   9  -3.352   2.742   2.547
   61   1HG   ARG   9          HG2       ARG   9  -2.413   4.511   1.107
   62   2HG   ARG   9          HG1       ARG   9  -3.637   4.166  -0.115
   63   1HD   ARG   9          HD2       ARG   9  -5.424   4.812   1.425
   64   2HD   ARG   9          HD1       ARG   9  -4.243   5.058   2.727
   65    HE   ARG   9           HE       ARG   9  -3.196   6.816   1.219
   66   1HH1  ARG   9          HH11      ARG   9  -5.892   5.592  -0.333
   67   2HH1  ARG   9          HH12      ARG   9  -6.652   7.122  -0.612
   68   1HH2  ARG   9          HH21      ARG   9  -4.414   8.893   1.357
   69   2HH2  ARG   9          HH22      ARG   9  -5.817   8.991   0.345
   70    H    LEU  10           HN       LEU  10  -2.815   0.247   2.772
   71    HA   LEU  10           HA       LEU  10  -0.388   0.815   4.179
   72   1HB   LEU  10          HB2       LEU  10  -2.671  -0.466   4.728
   73   2HB   LEU  10          HB1       LEU  10  -1.697  -1.873   4.304
   74    HG   LEU  10           HG       LEU  10   0.080  -0.767   5.898
   75   1HD1  LEU  10          HD11      LEU  10  -1.896   1.144   6.079
   76   2HD1  LEU  10          HD12      LEU  10  -0.613   0.905   7.267
   77   3HD1  LEU  10          HD13      LEU  10  -2.194   0.165   7.516
   78   1HD2  LEU  10          HD21      LEU  10  -1.393  -1.813   7.875
   79   2HD2  LEU  10          HD22      LEU  10  -0.648  -2.830   6.641
   80   3HD2  LEU  10          HD23      LEU  10  -2.351  -2.393   6.511
   81    H    PHE  11           HN       PHE  11  -1.235  -1.859   1.951
   82    HA   PHE  11           HA       PHE  11   1.226  -3.259   2.028
   83   1HB   PHE  11          HB2       PHE  11  -1.176  -3.512   0.794
   84   2HB   PHE  11          HB1       PHE  11  -0.193  -2.981  -0.571
   85    HD1  PHE  11           HD1      PHE  11   1.670  -4.336  -1.394
   86    HD2  PHE  11           HD2      PHE  11  -0.723  -5.631   1.929
   87    HE1  PHE  11           HE1      PHE  11   2.626  -6.615  -1.594
   88    HE2  PHE  11           HE2      PHE  11   0.232  -7.911   1.729
   89    HZ   PHE  11           HZ       PHE  11   1.907  -8.403  -0.033
   90    H    ASN  12           HN       ASN  12   0.202  -0.600  -0.141
   91    HA   ASN  12           HA       ASN  12   2.634  -0.445  -1.645
   92   1HB   ASN  12          HB2       ASN  12   0.109   0.862  -1.410
   93   2HB   ASN  12          HB1       ASN  12   1.355   2.109  -1.352
   94   1HD2  ASN  12          HD21      ASN  12   1.196  -1.013  -3.159
   95   2HD2  ASN  12          HD22      ASN  12   1.462  -0.312  -4.681
   96    H    ARG  13           HN       ARG  13   1.496   1.548   1.116
   97    HA   ARG  13           HA       ARG  13   3.775   3.166   1.451
   98   1HB   ARG  13          HB2       ARG  13   1.426   2.309   2.926
   99   2HB   ARG  13          HB1       ARG  13   2.802   2.510   4.012
  100   1HG   ARG  13          HG2       ARG  13   2.084   4.598   1.952
  101   2HG   ARG  13          HG1       ARG  13   1.374   4.600   3.566
  102   1HD   ARG  13          HD2       ARG  13   3.226   5.896   4.037
  103   2HD   ARG  13          HD1       ARG  13   4.004   4.309   4.209
  104    HE   ARG  13           HE       ARG  13   3.913   5.417   1.471
  105   1HH1  ARG  13          HH11      ARG  13   5.735   3.506   3.387
  106   2HH1  ARG  13          HH12      ARG  13   7.250   4.299   3.117
  107   1HH2  ARG  13          HH21      ARG  13   5.834   7.046   1.547
  108   2HH2  ARG  13          HH22      ARG  13   7.307   6.304   2.075
  109    H    SER  14           HN       SER  14   3.099  -0.013   2.964
  110    HA   SER  14           HA       SER  14   5.555  -0.251   4.394
  111   1HB   SER  14          HB2       SER  14   3.511  -1.621   4.712
  112   2HB   SER  14          HB1       SER  14   3.773  -2.365   3.138
  113    HG   SER  14           HG       SER  14   4.901  -3.734   4.282
  114    H    PHE  15           HN       PHE  15   4.641  -1.616   1.202
  115    HA   PHE  15           HA       PHE  15   7.116  -2.800   0.536
  116   1HB   PHE  15          HB2       PHE  15   4.825  -2.862  -0.621
  117   2HB   PHE  15          HB1       PHE  15   5.286  -1.339  -1.381
  118    HD1  PHE  15           HD1      PHE  15   6.003  -1.635  -3.574
  119    HD2  PHE  15           HD2      PHE  15   7.080  -4.549  -0.608
  120    HE1  PHE  15           HE1      PHE  15   7.317  -2.876  -5.271
  121    HE2  PHE  15           HE2      PHE  15   8.394  -5.790  -2.306
  122    HZ   PHE  15           HZ       PHE  15   8.512  -4.954  -4.637
  123    H    THR  16           HN       THR  16   6.000   0.551  -0.006
  124    HA   THR  16           HA       THR  16   8.320   1.464  -1.418
  125    HB   THR  16           HB       THR  16   6.164   2.752   0.266
  126    HG1  THR  16           HG1      THR  16   5.497   2.013  -1.715
  127   1HG2  THR  16          HG21      THR  16   8.290   4.088   0.368
  128   2HG2  THR  16          HG22      THR  16   6.958   4.928  -0.427
  129   3HG2  THR  16          HG23      THR  16   8.243   4.200  -1.391
  130    H    GLN  17           HN       GLN  17   7.436   1.757   2.047
  131    HA   GLN  17           HA       GLN  17   9.780   3.060   2.950
  132   1HB   GLN  17          HB2       GLN  17   7.721   2.723   4.255
  133   2HB   GLN  17          HB1       GLN  17   8.016   0.984   4.290
  134   1HG   GLN  17          HG2       GLN  17  10.400   1.969   5.231
  135   2HG   GLN  17          HG1       GLN  17   9.246   3.126   5.894
  136   1HE2  GLN  17          HE21      GLN  17   9.067   2.418   8.060
  137   2HE2  GLN  17          HE22      GLN  17   8.606   0.845   8.504
  138    H    ALA  18           HN       ALA  18   9.098  -0.451   2.747
  139    HA   ALA  18           HA       ALA  18  11.637  -1.334   3.734
  140   1HB   ALA  18          HB1       ALA  18   9.578  -2.698   3.548
  141   2HB   ALA  18          HB2       ALA  18  10.923  -3.470   2.710
  142   3HB   ALA  18          HB3       ALA  18   9.687  -2.614   1.790
  143    H    LEU  19           HN       LEU  19  10.457  -0.827   0.391
  144    HA   LEU  19           HA       LEU  19  12.680  -1.694  -1.072
  145   1HB   LEU  19          HB2       LEU  19  10.343  -0.601  -1.673
  146   2HB   LEU  19          HB1       LEU  19  11.296   0.880  -1.760
  147    HG   LEU  19           HG       LEU  19  12.073  -1.655  -3.217
  148   1HD1  LEU  19          HD11      LEU  19  10.122   0.485  -3.905
  149   2HD1  LEU  19          HD12      LEU  19  10.165  -1.203  -4.414
  150   3HD1  LEU  19          HD13      LEU  19  11.223  -0.022  -5.186
  151   1HD2  LEU  19          HD21      LEU  19  13.280   0.159  -4.613
  152   2HD2  LEU  19          HD22      LEU  19  13.942  -0.210  -3.020
  153   3HD2  LEU  19          HD23      LEU  19  12.956   1.233  -3.252
  154    H    GLY  20           HN       GLY  20  12.196   1.475   0.504
  155   1HA   GLY  20          HA2       GLY  20  13.979   2.782   1.461
  156   2HA   GLY  20          HA1       GLY  20  15.138   1.847   0.511
  157    H    LYS  21           HN       LYS  21  12.657   2.572  -1.572
  158    HA   LYS  21           HA       LYS  21  12.381   4.216  -3.251
  159   1HB   LYS  21          HB2       LYS  21  12.860   5.518  -0.867
  160   2HB   LYS  21          HB1       LYS  21  14.119   6.180  -1.909
  161   1HG   LYS  21          HG2       LYS  21  12.385   6.699  -3.623
  162   2HG   LYS  21          HG1       LYS  21  11.146   6.130  -2.502
  163   1HD   LYS  21          HD2       LYS  21  11.690   7.859  -0.909
  164   2HD   LYS  21          HD1       LYS  21  13.106   8.344  -1.842
  165   1HE   LYS  21          HE2       LYS  21  11.658   9.910  -2.705
  166   2HE   LYS  21          HE1       LYS  21  11.140   8.564  -3.738
  167   1HZ   LYS  21          HZ1       LYS  21   9.197   9.336  -2.676
  168   2HZ   LYS  21          HZ2       LYS  21   9.961   9.441  -1.163
  169   3HZ   LYS  21          HZ3       LYS  21   9.629   7.921  -1.847
  170   1HN   NH2  22          1HN       NH2  22  15.682   5.002  -2.018
  171   2HN   NH2  22          2HN       NH2  22  16.482   4.641  -3.472
  Start of MODEL   17
    1   1H    SER   1          1H        SER   1 -13.006  -7.044  -5.028
    2   2H    SER   1          2H        SER   1 -13.921  -5.770  -5.679
    3   3H    SER   1          3H        SER   1 -14.201  -6.293  -4.087
    4    HA   SER   1           HA       SER   1 -12.871  -4.162  -4.336
    5   1HB   SER   1          HB2       SER   1 -11.625  -6.502  -2.869
    6   2HB   SER   1          HB1       SER   1 -11.612  -4.810  -2.380
    7    HG   SER   1           HG       SER   1 -13.361  -6.612  -1.714
    8    H    GLY   2           HN       GLY   2 -11.534  -3.470  -5.986
    9   1HA   GLY   2          HA2       GLY   2  -9.638  -5.199  -7.317
   10   2HA   GLY   2          HA1       GLY   2  -9.737  -3.447  -7.505
   11    H    SER   3           HN       SER   3  -8.005  -2.347  -6.743
   12    HA   SER   3           HA       SER   3  -6.501  -3.491  -4.416
   13   1HB   SER   3          HB2       SER   3  -5.630  -3.748  -6.925
   14   2HB   SER   3          HB1       SER   3  -5.084  -2.095  -6.656
   15    HG   SER   3           HG       SER   3  -3.450  -3.343  -5.925
   16    H    LEU   4           HN       LEU   4  -7.455  -1.872  -3.034
   17    HA   LEU   4           HA       LEU   4  -6.105   0.719  -3.099
   18   1HB   LEU   4          HB2       LEU   4  -8.233   0.548  -4.740
   19   2HB   LEU   4          HB1       LEU   4  -9.076   0.942  -3.242
   20    HG   LEU   4           HG       LEU   4  -7.226   2.791  -3.012
   21   1HD1  LEU   4          HD11      LEU   4  -6.685   3.649  -5.372
   22   2HD1  LEU   4          HD12      LEU   4  -7.151   2.045  -5.941
   23   3HD1  LEU   4          HD13      LEU   4  -5.795   2.227  -4.828
   24   1HD2  LEU   4          HD21      LEU   4  -8.711   4.158  -4.783
   25   2HD2  LEU   4          HD22      LEU   4  -9.346   3.678  -3.209
   26   3HD2  LEU   4          HD23      LEU   4  -9.724   2.721  -4.643
   27    H    SER   5           HN       SER   5  -8.478   1.888  -1.613
   28    HA   SER   5           HA       SER   5  -9.109   2.090   0.659
   29   1HB   SER   5          HB2       SER   5 -10.263  -0.003  -0.178
   30   2HB   SER   5          HB1       SER   5  -8.927  -0.934   0.493
   31    HG   SER   5           HG       SER   5 -11.035   0.308   1.739
   32    H    THR   6           HN       THR   6  -8.440   1.098   2.969
   33    HA   THR   6           HA       THR   6  -5.803   1.793   3.564
   34    HB   THR   6           HB       THR   6  -6.403  -0.161   5.408
   35    HG1  THR   6           HG1      THR   6  -8.824   0.393   5.504
   36   1HG2  THR   6          HG21      THR   6  -7.927   2.393   5.593
   37   2HG2  THR   6          HG22      THR   6  -6.175   2.509   5.426
   38   3HG2  THR   6          HG23      THR   6  -6.875   1.623   6.780
   39    H    PHE   7           HN       PHE   7  -7.035  -1.518   2.941
   40    HA   PHE   7           HA       PHE   7  -4.767  -3.061   3.252
   41   1HB   PHE   7          HB2       PHE   7  -6.727  -3.110   0.933
   42   2HB   PHE   7          HB1       PHE   7  -5.743  -4.470   1.471
   43    HD1  PHE   7           HD1      PHE   7  -8.960  -3.481   1.506
   44    HD2  PHE   7           HD2      PHE   7  -5.876  -4.458   4.331
   45    HE1  PHE   7           HE1      PHE   7 -10.686  -4.066   3.188
   46    HE2  PHE   7           HE2      PHE   7  -7.602  -5.044   6.012
   47    HZ   PHE   7           HZ       PHE   7 -10.007  -4.849   5.441
   48    H    PHE   8           HN       PHE   8  -5.623  -1.646   0.067
   49    HA   PHE   8           HA       PHE   8  -3.102  -2.094  -1.162
   50   1HB   PHE   8          HB2       PHE   8  -5.361  -1.445  -2.163
   51   2HB   PHE   8          HB1       PHE   8  -4.999   0.213  -1.678
   52    HD1  PHE   8           HD1      PHE   8  -2.852  -2.523  -3.085
   53    HD2  PHE   8           HD2      PHE   8  -4.418   1.446  -3.577
   54    HE1  PHE   8           HE1      PHE   8  -1.464  -2.228  -5.119
   55    HE2  PHE   8           HE2      PHE   8  -3.031   1.742  -5.611
   56    HZ   PHE   8           HZ       PHE   8  -1.553  -0.095  -6.382
   57    H    ARG   9           HN       ARG   9  -4.345   0.798   0.539
   58    HA   ARG   9           HA       ARG   9  -2.100   2.494   0.166
   59   1HB   ARG   9          HB2       ARG   9  -4.541   2.389   1.627
   60   2HB   ARG   9          HB1       ARG   9  -3.270   2.815   2.775
   61   1HG   ARG   9          HG2       ARG   9  -3.030   4.217   0.207
   62   2HG   ARG   9          HG1       ARG   9  -4.524   4.587   1.067
   63   1HD   ARG   9          HD2       ARG   9  -3.335   5.996   2.385
   64   2HD   ARG   9          HD1       ARG   9  -2.462   4.587   3.021
   65    HE   ARG   9           HE       ARG   9  -1.035   4.873   0.842
   66   1HH1  ARG   9          HH21      ARG   9  -1.578   7.010   3.357
   67   2HH1  ARG   9          HH22      ARG   9  -0.872   8.389   2.580
   68   1HH2  ARG   9          HH11      ARG   9  -0.535   6.815  -0.492
   69   2HH2  ARG   9          HH12      ARG   9  -0.281   8.277   0.402
   70    H    LEU  10           HN       LEU  10  -2.804   0.233   2.857
   71    HA   LEU  10           HA       LEU  10  -0.399   0.702   4.328
   72   1HB   LEU  10          HB2       LEU  10  -2.483  -0.445   5.106
   73   2HB   LEU  10          HB1       LEU  10  -2.072  -1.820   4.079
   74    HG   LEU  10           HG       LEU  10   0.263  -1.523   5.425
   75   1HD1  LEU  10          HD11      LEU  10  -0.765  -1.327   7.892
   76   2HD1  LEU  10          HD12      LEU  10  -1.908  -0.280   7.051
   77   3HD1  LEU  10          HD13      LEU  10  -0.182   0.086   7.013
   78   1HD2  LEU  10          HD21      LEU  10  -1.989  -3.288   5.435
   79   2HD2  LEU  10          HD22      LEU  10  -1.450  -3.082   7.101
   80   3HD2  LEU  10          HD23      LEU  10  -0.320  -3.652   5.873
   81    H    PHE  11           HN       PHE  11  -1.195  -1.903   1.993
   82    HA   PHE  11           HA       PHE  11   1.296  -3.233   1.985
   83   1HB   PHE  11          HB2       PHE  11  -0.956  -3.794   0.876
   84   2HB   PHE  11          HB1       PHE  11  -0.443  -2.740  -0.443
   85    HD1  PHE  11           HD1      PHE  11   2.169  -3.188  -1.128
   86    HD2  PHE  11           HD2      PHE  11  -0.540  -6.058   0.568
   87    HE1  PHE  11           HE1      PHE  11   3.531  -5.033  -2.073
   88    HE2  PHE  11           HE2      PHE  11   0.822  -7.903  -0.377
   89    HZ   PHE  11           HZ       PHE  11   2.858  -7.390  -1.697
   90    H    ASN  12           HN       ASN  12   0.224  -0.446   0.019
   91    HA   ASN  12           HA       ASN  12   2.631  -0.203  -1.530
   92   1HB   ASN  12          HB2       ASN  12   0.115   1.168  -1.063
   93   2HB   ASN  12          HB1       ASN  12   1.433   2.330  -1.217
   94   1HD2  ASN  12          HD21      ASN  12   1.169   3.052  -3.369
   95   2HD2  ASN  12          HD22      ASN  12   1.166   2.023  -4.718
   96    H    ARG  13           HN       ARG  13   1.527   1.531   1.409
   97    HA   ARG  13           HA       ARG  13   3.789   3.195   1.773
   98   1HB   ARG  13          HB2       ARG  13   1.670   3.385   2.996
   99   2HB   ARG  13          HB1       ARG  13   1.960   1.829   3.776
  100   1HG   ARG  13          HG2       ARG  13   3.821   2.676   5.004
  101   2HG   ARG  13          HG1       ARG  13   3.893   4.140   4.022
  102   1HD   ARG  13          HD2       ARG  13   1.556   4.699   4.888
  103   2HD   ARG  13          HD1       ARG  13   1.783   3.388   6.062
  104    HE   ARG  13           HE       ARG  13   3.598   5.761   5.854
  105   1HH1  ARG  13          HH11      ARG  13   1.429   4.129   7.814
  106   2HH1  ARG  13          HH12      ARG  13   2.447   4.088   9.215
  107   1HH2  ARG  13          HH21      ARG  13   5.240   5.287   7.548
  108   2HH2  ARG  13          HH22      ARG  13   4.604   4.745   9.065
  109    H    SER  14           HN       SER  14   3.153  -0.005   3.276
  110    HA   SER  14           HA       SER  14   5.702  -0.264   4.542
  111   1HB   SER  14          HB2       SER  14   5.017  -2.629   4.708
  112   2HB   SER  14          HB1       SER  14   3.651  -1.568   5.042
  113    HG   SER  14           HG       SER  14   3.020  -1.863   2.854
  114    H    PHE  15           HN       PHE  15   4.526  -1.513   1.397
  115    HA   PHE  15           HA       PHE  15   6.912  -2.842   0.602
  116   1HB   PHE  15          HB2       PHE  15   4.869  -3.217  -0.569
  117   2HB   PHE  15          HB1       PHE  15   4.629  -1.493  -0.853
  118    HD1  PHE  15           HD1      PHE  15   7.010  -4.285  -1.604
  119    HD2  PHE  15           HD2      PHE  15   5.362  -0.522  -2.858
  120    HE1  PHE  15           HE1      PHE  15   8.232  -4.467  -3.755
  121    HE2  PHE  15           HE2      PHE  15   6.584  -0.704  -5.009
  122    HZ   PHE  15           HZ       PHE  15   8.019  -2.675  -5.457
  123    H    THR  16           HN       THR  16   5.843   0.525   0.030
  124    HA   THR  16           HA       THR  16   8.118   1.322  -1.530
  125    HB   THR  16           HB       THR  16   6.365   2.988   0.303
  126    HG1  THR  16           HG1      THR  16   5.141   3.174  -1.730
  127   1HG2  THR  16          HG21      THR  16   6.985   4.166  -2.238
  128   2HG2  THR  16          HG22      THR  16   8.483   3.625  -1.481
  129   3HG2  THR  16          HG23      THR  16   7.417   4.741  -0.627
  130    H    GLN  17           HN       GLN  17   7.397   1.670   1.961
  131    HA   GLN  17           HA       GLN  17   9.801   3.015   2.696
  132   1HB   GLN  17          HB2       GLN  17   7.961   1.103   4.168
  133   2HB   GLN  17          HB1       GLN  17   9.196   2.081   4.962
  134   1HG   GLN  17          HG2       GLN  17   7.281   3.469   3.135
  135   2HG   GLN  17          HG1       GLN  17   6.690   2.957   4.717
  136   1HE2  GLN  17          HE21      GLN  17   6.891   4.617   6.216
  137   2HE2  GLN  17          HE22      GLN  17   8.166   5.736   6.273
  138    H    ALA  18           HN       ALA  18   9.029  -0.470   2.550
  139    HA   ALA  18           HA       ALA  18  11.575  -1.378   3.553
  140   1HB   ALA  18          HB1       ALA  18  10.740  -3.529   2.883
  141   2HB   ALA  18          HB2       ALA  18   9.682  -2.808   1.670
  142   3HB   ALA  18          HB3       ALA  18   9.332  -2.593   3.385
  143    H    LEU  19           HN       LEU  19  10.266  -1.231   0.214
  144    HA   LEU  19           HA       LEU  19  12.489  -2.133  -1.220
  145   1HB   LEU  19          HB2       LEU  19  10.059  -1.146  -1.807
  146   2HB   LEU  19          HB1       LEU  19  11.025   0.274  -2.208
  147    HG   LEU  19           HG       LEU  19  12.529  -1.389  -3.520
  148   1HD1  LEU  19          HD11      LEU  19  11.882  -3.544  -3.225
  149   2HD1  LEU  19          HD12      LEU  19  10.602  -3.164  -4.378
  150   3HD1  LEU  19          HD13      LEU  19  10.283  -3.076  -2.646
  151   1HD2  LEU  19          HD21      LEU  19  11.260   0.240  -4.723
  152   2HD2  LEU  19          HD22      LEU  19   9.736  -0.561  -4.341
  153   3HD2  LEU  19          HD23      LEU  19  10.865  -1.308  -5.470
  154    H    GLY  20           HN       GLY  20  12.009   0.994   0.347
  155   1HA   GLY  20          HA2       GLY  20  13.732   2.507   0.998
  156   2HA   GLY  20          HA1       GLY  20  14.877   1.579   0.026
  157    H    LYS  21           HN       LYS  21  12.229   2.027  -1.920
  158    HA   LYS  21           HA       LYS  21  11.900   3.406  -3.811
  159   1HB   LYS  21          HB2       LYS  21  12.253   4.988  -1.392
  160   2HB   LYS  21          HB1       LYS  21  12.743   5.894  -2.824
  161   1HG   LYS  21          HG2       LYS  21  10.621   5.866  -3.741
  162   2HG   LYS  21          HG1       LYS  21  10.190   4.344  -2.958
  163   1HD   LYS  21          HD2       LYS  21   9.672   5.375  -0.933
  164   2HD   LYS  21          HD1       LYS  21  10.689   6.777  -1.271
  165   1HE   LYS  21          HE2       LYS  21   8.258   6.199  -2.971
  166   2HE   LYS  21          HE1       LYS  21   8.122   7.114  -1.454
  167   1HZ   LYS  21          HZ1       LYS  21   9.498   8.772  -2.216
  168   2HZ   LYS  21          HZ2       LYS  21   8.687   8.357  -3.651
  169   3HZ   LYS  21          HZ3       LYS  21  10.259   7.780  -3.363
  170   1HN   NH2  22          1HN       NH2  22  13.216   5.282  -5.139
  171   2HN   NH2  22          2HN       NH2  22  14.877   4.973  -5.305
  Start of MODEL   18
    1   1H    SER   1          1H        SER   1 -11.092  -2.369  -7.517
    2   2H    SER   1          2H        SER   1 -11.817  -3.868  -7.178
    3   3H    SER   1          3H        SER   1 -12.528  -2.812  -8.301
    4    HA   SER   1           HA       SER   1 -11.491  -4.165  -9.788
    5   1HB   SER   1          HB2       SER   1 -10.471  -1.729  -9.464
    6   2HB   SER   1          HB1       SER   1  -9.029  -2.639  -9.014
    7    HG   SER   1           HG       SER   1  -9.484  -2.075 -11.356
    8    H    GLY   2           HN       GLY   2  -9.662  -3.955  -6.753
    9   1HA   GLY   2          HA2       GLY   2  -9.165  -6.777  -6.669
   10   2HA   GLY   2          HA1       GLY   2  -7.718  -5.944  -7.238
   11    H    SER   3           HN       SER   3  -6.726  -4.363  -5.811
   12    HA   SER   3           HA       SER   3  -6.678  -5.157  -3.046
   13   1HB   SER   3          HB2       SER   3  -4.750  -4.199  -4.140
   14   2HB   SER   3          HB1       SER   3  -5.656  -2.757  -4.590
   15    HG   SER   3           HG       SER   3  -5.061  -3.623  -1.948
   16    H    LEU   4           HN       LEU   4  -6.939  -3.290  -1.311
   17    HA   LEU   4           HA       LEU   4  -9.569  -1.931  -1.811
   18   1HB   LEU   4          HB2       LEU   4  -8.626  -3.807   0.175
   19   2HB   LEU   4          HB1       LEU   4  -9.113  -2.305   0.959
   20    HG   LEU   4           HG       LEU   4 -11.018  -3.875   0.739
   21   1HD1  LEU   4          HD11      LEU   4 -11.437  -1.598  -1.198
   22   2HD1  LEU   4          HD12      LEU   4 -11.200  -1.303   0.524
   23   3HD1  LEU   4          HD13      LEU   4 -12.573  -2.264  -0.025
   24   1HD2  LEU   4          HD21      LEU   4 -11.469  -3.569  -2.091
   25   2HD2  LEU   4          HD22      LEU   4 -11.313  -5.057  -1.157
   26   3HD2  LEU   4          HD23      LEU   4  -9.879  -4.285  -1.830
   27    H    SER   5           HN       SER   5  -9.838   0.139  -0.683
   28    HA   SER   5           HA       SER   5  -7.844   2.037  -0.953
   29   1HB   SER   5          HB2       SER   5 -10.340   1.696   0.521
   30   2HB   SER   5          HB1       SER   5  -9.237   2.788   1.352
   31    HG   SER   5           HG       SER   5  -9.588   3.031  -1.419
   32    H    THR   6           HN       THR   6  -8.691   0.969   2.345
   33    HA   THR   6           HA       THR   6  -6.333   1.759   3.628
   34    HB   THR   6           HB       THR   6  -7.056  -0.480   5.002
   35    HG1  THR   6           HG1      THR   6  -8.683  -1.310   3.982
   36   1HG2  THR   6          HG21      THR   6  -7.225   1.602   6.076
   37   2HG2  THR   6          HG22      THR   6  -8.903   1.073   5.974
   38   3HG2  THR   6          HG23      THR   6  -8.283   2.263   4.830
   39    H    PHE   7           HN       PHE   7  -7.023  -1.596   2.547
   40    HA   PHE   7           HA       PHE   7  -4.517  -2.743   3.001
   41   1HB   PHE   7          HB2       PHE   7  -6.737  -3.114   1.021
   42   2HB   PHE   7          HB1       PHE   7  -5.257  -4.050   0.805
   43    HD1  PHE   7           HD1      PHE   7  -6.644  -2.920   4.058
   44    HD2  PHE   7           HD2      PHE   7  -6.074  -6.230   1.381
   45    HE1  PHE   7           HE1      PHE   7  -7.374  -4.485   5.838
   46    HE2  PHE   7           HE2      PHE   7  -6.803  -7.796   3.161
   47    HZ   PHE   7           HZ       PHE   7  -7.453  -6.923   5.389
   48    H    PHE   8           HN       PHE   8  -5.567  -1.435  -0.174
   49    HA   PHE   8           HA       PHE   8  -3.171  -1.545  -1.571
   50   1HB   PHE   8          HB2       PHE   8  -5.184  -0.797  -2.620
   51   2HB   PHE   8          HB1       PHE   8  -5.378   0.523  -1.467
   52    HD1  PHE   8           HD1      PHE   8  -3.038  -0.768  -4.090
   53    HD2  PHE   8           HD2      PHE   8  -4.529   2.654  -1.965
   54    HE1  PHE   8           HE1      PHE   8  -1.732   0.726  -5.578
   55    HE2  PHE   8           HE2      PHE   8  -3.224   4.147  -3.453
   56    HZ   PHE   8           HZ       PHE   8  -1.825   3.184  -5.260
   57    H    ARG   9           HN       ARG   9  -4.237   1.277   0.379
   58    HA   ARG   9           HA       ARG   9  -1.902   2.834   0.174
   59   1HB   ARG   9          HB2       ARG   9  -4.008   3.582   1.168
   60   2HB   ARG   9          HB1       ARG   9  -3.828   2.423   2.486
   61   1HG   ARG   9          HG2       ARG   9  -1.446   3.738   2.644
   62   2HG   ARG   9          HG1       ARG   9  -2.500   5.035   2.078
   63   1HD   ARG   9          HD2       ARG   9  -3.812   4.993   4.002
   64   2HD   ARG   9          HD1       ARG   9  -3.443   3.289   4.337
   65    HE   ARG   9           HE       ARG   9  -1.012   4.224   4.699
   66   1HH1  ARG   9          HH21      ARG   9  -4.016   5.234   5.948
   67   2HH1  ARG   9          HH22      ARG   9  -3.349   6.459   6.976
   68   1HH2  ARG   9          HH11      ARG   9  -0.114   6.068   5.790
   69   2HH2  ARG   9          HH12      ARG   9  -1.140   6.931   6.887
   70    H    LEU  10           HN       LEU  10  -2.700   0.633   2.898
   71    HA   LEU  10           HA       LEU  10  -0.266   0.732   4.276
   72   1HB   LEU  10          HB2       LEU  10  -2.578  -1.038   3.992
   73   2HB   LEU  10          HB1       LEU  10  -1.113  -1.920   4.426
   74    HG   LEU  10           HG       LEU  10  -0.759  -0.549   6.366
   75   1HD1  LEU  10          HD11      LEU  10  -1.272   1.645   5.930
   76   2HD1  LEU  10          HD12      LEU  10  -2.787   1.201   6.718
   77   3HD1  LEU  10          HD13      LEU  10  -2.683   1.229   4.958
   78   1HD2  LEU  10          HD21      LEU  10  -3.656  -1.364   6.011
   79   2HD2  LEU  10          HD22      LEU  10  -2.996  -0.820   7.555
   80   3HD2  LEU  10          HD23      LEU  10  -2.367  -2.281   6.792
   81    H    PHE  11           HN       PHE  11  -1.139  -1.420   1.553
   82    HA   PHE  11           HA       PHE  11   1.301  -2.890   1.439
   83   1HB   PHE  11          HB2       PHE  11  -1.103  -2.926   0.191
   84   2HB   PHE  11          HB1       PHE  11  -0.123  -2.192  -1.079
   85    HD1  PHE  11           HD1      PHE  11   0.851  -3.657  -2.595
   86    HD2  PHE  11           HD2      PHE  11   0.214  -4.955   1.450
   87    HE1  PHE  11           HE1      PHE  11   1.790  -5.882  -3.161
   88    HE2  PHE  11           HE2      PHE  11   1.153  -7.179   0.884
   89    HZ   PHE  11           HZ       PHE  11   1.941  -7.643  -1.421
   90    H    ASN  12           HN       ASN  12   0.301  -0.036  -0.497
   91    HA   ASN  12           HA       ASN  12   2.712   0.359  -1.910
   92   1HB   ASN  12          HB2       ASN  12   0.468   1.487  -2.194
   93   2HB   ASN  12          HB1       ASN  12   0.858   2.483  -0.790
   94   1HD2  ASN  12          HD21      ASN  12   0.589   4.180  -2.709
   95   2HD2  ASN  12          HD22      ASN  12   2.023   4.584  -3.524
   96    H    ARG  13           HN       ARG  13   1.715   1.904   1.172
   97    HA   ARG  13           HA       ARG  13   4.127   3.315   1.671
   98   1HB   ARG  13          HB2       ARG  13   1.912   3.550   2.823
   99   2HB   ARG  13          HB1       ARG  13   2.223   2.024   3.651
  100   1HG   ARG  13          HG2       ARG  13   4.290   4.193   3.784
  101   2HG   ARG  13          HG1       ARG  13   2.859   4.312   4.810
  102   1HD   ARG  13          HD2       ARG  13   3.853   1.614   4.940
  103   2HD   ARG  13          HD1       ARG  13   5.181   2.740   5.285
  104    HE   ARG  13           HE       ARG  13   3.368   3.881   6.821
  105   1HH1  ARG  13          HH11      ARG  13   2.060   1.019   5.996
  106   2HH1  ARG  13          HH12      ARG  13   2.111   0.285   7.563
  107   1HH2  ARG  13          HH21      ARG  13   4.159   2.725   8.932
  108   2HH2  ARG  13          HH22      ARG  13   3.300   1.250   9.226
  109    H    SER  14           HN       SER  14   3.113   0.179   3.097
  110    HA   SER  14           HA       SER  14   5.504  -0.477   4.419
  111   1HB   SER  14          HB2       SER  14   3.655  -2.344   2.902
  112   2HB   SER  14          HB1       SER  14   4.651  -2.757   4.295
  113    HG   SER  14           HG       SER  14   2.205  -1.586   4.187
  114    H    PHE  15           HN       PHE  15   4.585  -1.255   1.044
  115    HA   PHE  15           HA       PHE  15   6.939  -2.660   0.308
  116   1HB   PHE  15          HB2       PHE  15   4.861  -2.560  -1.003
  117   2HB   PHE  15          HB1       PHE  15   5.106  -0.836  -1.286
  118    HD1  PHE  15           HD1      PHE  15   7.398  -0.163  -2.375
  119    HD2  PHE  15           HD2      PHE  15   5.706  -4.108  -2.542
  120    HE1  PHE  15           HE1      PHE  15   8.811  -0.685  -4.345
  121    HE2  PHE  15           HE2      PHE  15   7.119  -4.631  -4.512
  122    HZ   PHE  15           HZ       PHE  15   8.671  -2.919  -5.414
  123    H    THR  16           HN       THR  16   6.176   0.799  -0.287
  124    HA   THR  16           HA       THR  16   8.654   1.602  -1.346
  125    HB   THR  16           HB       THR  16   7.871   3.797   0.006
  126    HG1  THR  16           HG1      THR  16   5.511   3.513   0.149
  127   1HG2  THR  16          HG21      THR  16   6.956   2.457  -2.472
  128   2HG2  THR  16          HG22      THR  16   7.616   4.077  -2.244
  129   3HG2  THR  16          HG23      THR  16   5.919   3.755  -1.880
  130    H    GLN  17           HN       GLN  17   7.640   1.717   2.096
  131    HA   GLN  17           HA       GLN  17  10.148   2.602   3.139
  132   1HB   GLN  17          HB2       GLN  17   7.567   1.877   4.029
  133   2HB   GLN  17          HB1       GLN  17   8.689   0.853   4.928
  134   1HG   GLN  17          HG2       GLN  17   9.208   3.806   4.634
  135   2HG   GLN  17          HG1       GLN  17   8.129   3.204   5.893
  136   1HE2  GLN  17          HE21      GLN  17   9.132   1.377   7.302
  137   2HE2  GLN  17          HE22      GLN  17  10.783   1.514   7.672
  138    H    ALA  18           HN       ALA  18   8.779  -0.711   2.966
  139    HA   ALA  18           HA       ALA  18  11.083  -2.055   3.997
  140   1HB   ALA  18          HB1       ALA  18   9.008  -3.199   3.943
  141   2HB   ALA  18          HB2       ALA  18   9.955  -3.991   2.683
  142   3HB   ALA  18          HB3       ALA  18   8.735  -2.795   2.248
  143    H    LEU  19           HN       LEU  19   9.971  -2.202   0.596
  144    HA   LEU  19           HA       LEU  19  12.471  -3.061  -0.469
  145   1HB   LEU  19          HB2       LEU  19   9.926  -1.845  -1.467
  146   2HB   LEU  19          HB1       LEU  19  11.292  -1.921  -2.579
  147    HG   LEU  19           HG       LEU  19  11.245  -4.434  -1.343
  148   1HD1  LEU  19          HD11      LEU  19   9.063  -4.291  -0.485
  149   2HD1  LEU  19          HD12      LEU  19   8.814  -5.063  -2.052
  150   3HD1  LEU  19          HD13      LEU  19   8.486  -3.341  -1.854
  151   1HD2  LEU  19          HD21      LEU  19  11.451  -3.425  -3.856
  152   2HD2  LEU  19          HD22      LEU  19   9.835  -4.125  -3.937
  153   3HD2  LEU  19          HD23      LEU  19  11.217  -5.140  -3.522
  154    H    GLY  20           HN       GLY  20  11.548   0.017   0.723
  155   1HA   GLY  20          HA2       GLY  20  13.204   1.634  -1.034
  156   2HA   GLY  20          HA1       GLY  20  12.498   2.164   0.495
  157    H    LYS  21           HN       LYS  21  14.057  -0.679   1.191
  158    HA   LYS  21           HA       LYS  21  16.255   0.716   2.526
  159   1HB   LYS  21          HB2       LYS  21  15.040  -1.183   3.516
  160   2HB   LYS  21          HB1       LYS  21  15.545  -2.216   2.177
  161   1HG   LYS  21          HG2       LYS  21  17.025  -2.621   4.061
  162   2HG   LYS  21          HG1       LYS  21  17.932  -1.769   2.810
  163   1HD   LYS  21          HD2       LYS  21  18.304  -0.011   4.169
  164   2HD   LYS  21          HD1       LYS  21  16.595   0.101   4.587
  165   1HE   LYS  21          HE2       LYS  21  17.662  -0.399   6.656
  166   2HE   LYS  21          HE1       LYS  21  17.060  -1.974   6.103
  167   1HZ   LYS  21          HZ1       LYS  21  19.716  -0.994   5.270
  168   2HZ   LYS  21          HZ2       LYS  21  19.134  -2.589   5.307
  169   3HZ   LYS  21          HZ3       LYS  21  19.524  -1.790   6.755
  170   1HN   NH2  22          1HN       NH2  22  18.342   0.968   1.660
  171   2HN   NH2  22          2HN       NH2  22  18.934   0.156   0.293
  Start of MODEL   19
    1   1H    SER   1          1H        SER   1 -16.677   1.395   5.320
    2   2H    SER   1          2H        SER   1 -15.743   0.791   6.605
    3   3H    SER   1          3H        SER   1 -17.113  -0.061   6.074
    4    HA   SER   1           HA       SER   1 -14.664  -0.725   5.319
    5   1HB   SER   1          HB2       SER   1 -17.161  -1.537   4.891
    6   2HB   SER   1          HB1       SER   1 -16.886  -0.814   3.308
    7    HG   SER   1           HG       SER   1 -15.927  -2.644   2.906
    8    H    GLY   2           HN       GLY   2 -16.734   1.185   3.093
    9   1HA   GLY   2          HA2       GLY   2 -16.119   2.890   1.581
   10   2HA   GLY   2          HA1       GLY   2 -14.513   2.899   2.312
   11    H    SER   3           HN       SER   3 -13.128   0.937   1.747
   12    HA   SER   3           HA       SER   3 -13.706  -0.698  -0.540
   13   1HB   SER   3          HB2       SER   3 -13.554   1.837  -1.312
   14   2HB   SER   3          HB1       SER   3 -11.821   1.528  -1.242
   15    HG   SER   3           HG       SER   3 -12.029   0.480  -3.041
   16    H    LEU   4           HN       LEU   4 -11.196  -0.997  -1.658
   17    HA   LEU   4           HA       LEU   4  -9.691  -2.202   0.567
   18   1HB   LEU   4          HB2       LEU   4  -9.614  -2.181  -2.439
   19   2HB   LEU   4          HB1       LEU   4  -8.231  -2.803  -1.540
   20    HG   LEU   4           HG       LEU   4 -11.010  -3.739  -0.867
   21   1HD1  LEU   4          HD11      LEU   4  -9.318  -5.298  -2.781
   22   2HD1  LEU   4          HD12      LEU   4 -10.266  -3.953  -3.414
   23   3HD1  LEU   4          HD13      LEU   4 -11.071  -5.288  -2.587
   24   1HD2  LEU   4          HD21      LEU   4  -9.190  -4.327   0.657
   25   2HD2  LEU   4          HD22      LEU   4  -8.229  -4.943  -0.687
   26   3HD2  LEU   4          HD23      LEU   4  -9.711  -5.773  -0.209
   27    H    SER   5           HN       SER   5  -9.874   0.879  -0.207
   28    HA   SER   5           HA       SER   5  -7.405   1.899  -1.022
   29   1HB   SER   5          HB2       SER   5  -9.771   2.782   0.224
   30   2HB   SER   5          HB1       SER   5  -8.465   3.332   1.269
   31    HG   SER   5           HG       SER   5  -8.151   3.621  -1.488
   32    H    THR   6           HN       THR   6  -8.339   1.253   2.386
   33    HA   THR   6           HA       THR   6  -5.881   1.785   3.626
   34    HB   THR   6           HB       THR   6  -7.998   1.281   4.774
   35    HG1  THR   6           HG1      THR   6  -5.686  -0.182   5.286
   36   1HG2  THR   6          HG21      THR   6  -7.560  -1.615   4.036
   37   2HG2  THR   6          HG22      THR   6  -8.595  -0.550   3.086
   38   3HG2  THR   6          HG23      THR   6  -8.985  -0.884   4.773
   39    H    PHE   7           HN       PHE   7  -6.969  -1.280   2.138
   40    HA   PHE   7           HA       PHE   7  -4.630  -2.809   2.765
   41   1HB   PHE   7          HB2       PHE   7  -7.100  -3.205   1.624
   42   2HB   PHE   7          HB1       PHE   7  -6.031  -3.379   0.230
   43    HD1  PHE   7           HD1      PHE   7  -3.600  -4.514   1.397
   44    HD2  PHE   7           HD2      PHE   7  -7.717  -5.383   2.258
   45    HE1  PHE   7           HE1      PHE   7  -2.959  -6.782   2.169
   46    HE2  PHE   7           HE2      PHE   7  -7.076  -7.651   3.030
   47    HZ   PHE   7           HZ       PHE   7  -4.697  -8.351   2.985
   48    H    PHE   8           HN       PHE   8  -5.554  -1.463  -0.433
   49    HA   PHE   8           HA       PHE   8  -3.143  -1.848  -1.789
   50   1HB   PHE   8          HB2       PHE   8  -5.352   0.182  -1.858
   51   2HB   PHE   8          HB1       PHE   8  -3.949   0.425  -2.898
   52    HD1  PHE   8           HD1      PHE   8  -5.152  -2.914  -1.885
   53    HD2  PHE   8           HD2      PHE   8  -5.114   0.047  -4.996
   54    HE1  PHE   8           HE1      PHE   8  -6.046  -4.585  -3.485
   55    HE2  PHE   8           HE2      PHE   8  -6.007  -1.623  -6.596
   56    HZ   PHE   8           HZ       PHE   8  -6.474  -3.939  -5.842
   57    H    ARG   9           HN       ARG   9  -4.065   1.093   0.052
   58    HA   ARG   9           HA       ARG   9  -1.636   2.513  -0.230
   59   1HB   ARG   9          HB2       ARG   9  -3.797   2.358   1.872
   60   2HB   ARG   9          HB1       ARG   9  -2.443   3.476   2.045
   61   1HG   ARG   9          HG2       ARG   9  -3.590   3.574  -0.633
   62   2HG   ARG   9          HG1       ARG   9  -4.787   3.948   0.607
   63   1HD   ARG   9          HD2       ARG   9  -2.762   5.428   1.570
   64   2HD   ARG   9          HD1       ARG   9  -2.319   5.448  -0.149
   65    HE   ARG   9           HE       ARG   9  -5.101   5.904  -0.032
   66   1HH1  ARG   9          HH21      ARG   9  -3.921   7.420   2.424
   67   2HH1  ARG   9          HH22      ARG   9  -3.766   9.007   1.748
   68   1HH2  ARG   9          HH11      ARG   9  -4.150   7.936  -1.528
   69   2HH2  ARG   9          HH12      ARG   9  -3.896   9.299  -0.490
   70    H    LEU  10           HN       LEU  10  -2.628   0.407   2.505
   71    HA   LEU  10           HA       LEU  10  -0.267   0.483   4.015
   72   1HB   LEU  10          HB2       LEU  10  -2.340  -0.599   4.718
   73   2HB   LEU  10          HB1       LEU  10  -2.183  -1.799   3.435
   74    HG   LEU  10           HG       LEU  10   0.244  -1.711   4.997
   75   1HD1  LEU  10          HD11      LEU  10  -2.356  -1.734   6.469
   76   2HD1  LEU  10          HD12      LEU  10  -0.783  -1.122   6.979
   77   3HD1  LEU  10          HD13      LEU  10  -1.103  -2.855   7.002
   78   1HD2  LEU  10          HD21      LEU  10  -1.521  -4.049   5.249
   79   2HD2  LEU  10          HD22      LEU  10   0.115  -3.942   4.597
   80   3HD2  LEU  10          HD23      LEU  10  -1.269  -3.539   3.579
   81    H    PHE  11           HN       PHE  11  -1.055  -1.748   1.324
   82    HA   PHE  11           HA       PHE  11   1.390  -3.220   1.359
   83   1HB   PHE  11          HB2       PHE  11  -0.993  -3.257   0.012
   84   2HB   PHE  11          HB1       PHE  11   0.100  -2.694  -1.251
   85    HD1  PHE  11           HD1      PHE  11  -0.296  -5.352   1.349
   86    HD2  PHE  11           HD2      PHE  11   1.514  -4.206  -2.373
   87    HE1  PHE  11           HE1      PHE  11   0.556  -7.662   1.053
   88    HE2  PHE  11           HE2      PHE  11   2.366  -6.517  -2.670
   89    HZ   PHE  11           HZ       PHE  11   1.887  -8.244  -0.957
   90    H    ASN  12           HN       ASN  12   0.436  -0.410  -0.659
   91    HA   ASN  12           HA       ASN  12   2.913  -0.101  -2.028
   92   1HB   ASN  12          HB2       ASN  12   0.877   1.980  -1.164
   93   2HB   ASN  12          HB1       ASN  12   2.025   2.147  -2.493
   94   1HD2  ASN  12          HD21      ASN  12   1.830  -0.407  -3.692
   95   2HD2  ASN  12          HD22      ASN  12   0.258  -0.623  -4.294
   96    H    ARG  13           HN       ARG  13   1.713   1.667   0.857
   97    HA   ARG  13           HA       ARG  13   4.040   3.175   1.395
   98   1HB   ARG  13          HB2       ARG  13   1.543   2.731   2.503
   99   2HB   ARG  13          HB1       ARG  13   2.630   2.114   3.748
  100   1HG   ARG  13          HG2       ARG  13   3.308   4.735   2.483
  101   2HG   ARG  13          HG1       ARG  13   1.976   4.698   3.639
  102   1HD   ARG  13          HD2       ARG  13   3.383   3.895   5.395
  103   2HD   ARG  13          HD1       ARG  13   4.686   3.489   4.260
  104    HE   ARG  13           HE       ARG  13   4.371   6.046   5.418
  105   1HH1  ARG  13          HH21      ARG  13   6.746   5.405   3.792
  106   2HH1  ARG  13          HH22      ARG  13   6.551   6.417   2.400
  107   1HH2  ARG  13          HH11      ARG  13   3.183   7.012   2.977
  108   2HH2  ARG  13          HH12      ARG  13   4.533   7.327   1.938
  109    H    SER  14           HN       SER  14   3.113   0.028   2.858
  110    HA   SER  14           HA       SER  14   5.485  -0.424   4.332
  111   1HB   SER  14          HB2       SER  14   4.636  -2.625   4.516
  112   2HB   SER  14          HB1       SER  14   3.198  -1.658   4.204
  113    HG   SER  14           HG       SER  14   3.327  -2.252   2.037
  114    H    PHE  15           HN       PHE  15   4.728  -1.213   0.937
  115    HA   PHE  15           HA       PHE  15   7.112  -2.674   0.346
  116   1HB   PHE  15          HB2       PHE  15   5.184  -2.723  -1.099
  117   2HB   PHE  15          HB1       PHE  15   5.218  -0.970  -1.294
  118    HD1  PHE  15           HD1      PHE  15   6.672  -4.155  -2.348
  119    HD2  PHE  15           HD2      PHE  15   7.019   0.119  -2.609
  120    HE1  PHE  15           HE1      PHE  15   8.189  -4.396  -4.295
  121    HE2  PHE  15           HE2      PHE  15   8.537  -0.123  -4.555
  122    HZ   PHE  15           HZ       PHE  15   9.123  -2.381  -5.398
  123    H    THR  16           HN       THR  16   6.336   0.781  -0.237
  124    HA   THR  16           HA       THR  16   8.934   1.508  -1.205
  125    HB   THR  16           HB       THR  16   7.876   3.788  -0.116
  126    HG1  THR  16           HG1      THR  16   5.533   3.331  -0.615
  127   1HG2  THR  16          HG21      THR  16   7.306   4.295  -2.291
  128   2HG2  THR  16          HG22      THR  16   6.557   2.723  -2.571
  129   3HG2  THR  16          HG23      THR  16   8.314   2.877  -2.586
  130    H    GLN  17           HN       GLN  17   7.474   1.765   2.055
  131    HA   GLN  17           HA       GLN  17   9.700   2.968   3.365
  132   1HB   GLN  17          HB2       GLN  17   7.386   2.753   4.240
  133   2HB   GLN  17          HB1       GLN  17   7.619   1.012   4.400
  134   1HG   GLN  17          HG2       GLN  17   9.543   1.455   5.934
  135   2HG   GLN  17          HG1       GLN  17   9.172   3.178   5.846
  136   1HE2  GLN  17          HE21      GLN  17   8.722   3.056   8.231
  137   2HE2  GLN  17          HE22      GLN  17   7.230   2.447   8.765
  138    H    ALA  18           HN       ALA  18   8.871  -0.468   2.852
  139    HA   ALA  18           HA       ALA  18  11.109  -1.522   4.345
  140   1HB   ALA  18          HB1       ALA  18  10.386  -3.615   3.356
  141   2HB   ALA  18          HB2       ALA  18   9.546  -2.762   2.060
  142   3HB   ALA  18          HB3       ALA  18   8.944  -2.666   3.714
  143    H    LEU  19           HN       LEU  19  10.538  -1.419   0.801
  144    HA   LEU  19           HA       LEU  19  13.091  -2.236  -0.050
  145   1HB   LEU  19          HB2       LEU  19  11.030  -1.877  -1.425
  146   2HB   LEU  19          HB1       LEU  19  11.280  -0.136  -1.285
  147    HG   LEU  19           HG       LEU  19  13.739  -0.897  -2.139
  148   1HD1  LEU  19          HD11      LEU  19  13.263  -2.521  -4.046
  149   2HD1  LEU  19          HD12      LEU  19  11.731  -2.873  -3.247
  150   3HD1  LEU  19          HD13      LEU  19  13.253  -3.225  -2.429
  151   1HD2  LEU  19          HD21      LEU  19  12.122   0.828  -3.075
  152   2HD2  LEU  19          HD22      LEU  19  11.405  -0.473  -4.026
  153   3HD2  LEU  19          HD23      LEU  19  13.089  -0.017  -4.284
  154    H    GLY  20           HN       GLY  20  12.141   0.758   1.437
  155   1HA   GLY  20          HA2       GLY  20  14.401   2.314   0.445
  156   2HA   GLY  20          HA1       GLY  20  13.303   2.795   1.742
  157    H    LYS  21           HN       LYS  21  14.284  -0.280   2.509
  158    HA   LYS  21           HA       LYS  21  16.738   0.664   3.944
  159   1HB   LYS  21          HB2       LYS  21  14.833   0.828   5.454
  160   2HB   LYS  21          HB1       LYS  21  14.319  -0.809   5.038
  161   1HG   LYS  21          HG2       LYS  21  15.789  -1.744   6.479
  162   2HG   LYS  21          HG1       LYS  21  17.104  -0.702   5.930
  163   1HD   LYS  21          HD2       LYS  21  16.624   0.957   7.482
  164   2HD   LYS  21          HD1       LYS  21  14.926   0.493   7.608
  165   1HE   LYS  21          HE2       LYS  21  17.025  -1.460   8.516
  166   2HE   LYS  21          HE1       LYS  21  16.576  -0.111   9.579
  167   1HZ   LYS  21          HZ1       LYS  21  14.839  -2.225   8.458
  168   2HZ   LYS  21          HZ2       LYS  21  14.191  -0.746   8.987
  169   3HZ   LYS  21          HZ3       LYS  21  15.016  -1.754  10.077
  170   1HN   NH2  22          1HN       NH2  22  15.107  -2.451   4.424
  171   2HN   NH2  22          2HN       NH2  22  16.286  -3.399   3.653
  Start of MODEL   20
    1   1H    SER   1          1H        SER   1 -14.764   1.303   8.279
    2   2H    SER   1          2H        SER   1 -14.713   0.080   7.101
    3   3H    SER   1          3H        SER   1 -16.192   0.809   7.508
    4    HA   SER   1           HA       SER   1 -15.769   1.986   5.616
    5   1HB   SER   1          HB2       SER   1 -15.783   3.396   7.725
    6   2HB   SER   1          HB1       SER   1 -14.023   3.402   7.651
    7    HG   SER   1           HG       SER   1 -14.620   4.078   5.298
    8    H    GLY   2           HN       GLY   2 -14.468   0.561   4.271
    9   1HA   GLY   2          HA2       GLY   2 -12.315   1.315   2.955
   10   2HA   GLY   2          HA1       GLY   2 -11.520   0.912   4.478
   11    H    SER   3           HN       SER   3 -12.374  -0.326   1.498
   12    HA   SER   3           HA       SER   3 -12.378  -3.142   2.535
   13   1HB   SER   3          HB2       SER   3 -13.571  -1.775   0.120
   14   2HB   SER   3          HB1       SER   3 -13.394  -3.526   0.187
   15    HG   SER   3           HG       SER   3 -15.280  -3.327   1.148
   16    H    LEU   4           HN       LEU   4 -11.273  -1.158  -0.243
   17    HA   LEU   4           HA       LEU   4  -8.946  -3.034  -0.519
   18   1HB   LEU   4          HB2       LEU   4 -10.882  -2.683  -2.307
   19   2HB   LEU   4          HB1       LEU   4  -9.931  -1.257  -2.724
   20    HG   LEU   4           HG       LEU   4  -7.951  -2.635  -3.090
   21   1HD1  LEU   4          HD11      LEU   4  -7.926  -4.460  -1.707
   22   2HD1  LEU   4          HD12      LEU   4  -8.657  -5.248  -3.105
   23   3HD1  LEU   4          HD13      LEU   4  -9.674  -4.672  -1.784
   24   1HD2  LEU   4          HD21      LEU   4  -9.236  -4.337  -4.794
   25   2HD2  LEU   4          HD22      LEU   4  -8.945  -2.633  -5.148
   26   3HD2  LEU   4          HD23      LEU   4 -10.505  -3.145  -4.502
   27    H    SER   5           HN       SER   5  -9.994   0.368  -0.818
   28    HA   SER   5           HA       SER   5  -7.628   1.675  -1.439
   29   1HB   SER   5          HB2       SER   5  -9.866   2.285   0.496
   30   2HB   SER   5          HB1       SER   5  -8.583   3.451   0.186
   31    HG   SER   5           HG       SER   5 -10.726   3.107  -1.224
   32    H    THR   6           HN       THR   6  -8.661   1.231   1.967
   33    HA   THR   6           HA       THR   6  -6.337   1.914   3.296
   34    HB   THR   6           HB       THR   6  -8.175  -0.445   3.824
   35    HG1  THR   6           HG1      THR   6  -9.551   1.008   4.426
   36   1HG2  THR   6          HG21      THR   6  -6.615   1.172   5.843
   37   2HG2  THR   6          HG22      THR   6  -5.974  -0.308   5.129
   38   3HG2  THR   6          HG23      THR   6  -7.452  -0.360   6.090
   39    H    PHE   7           HN       PHE   7  -7.077  -1.457   2.299
   40    HA   PHE   7           HA       PHE   7  -4.615  -2.647   2.903
   41   1HB   PHE   7          HB2       PHE   7  -6.970  -3.152   1.318
   42   2HB   PHE   7          HB1       PHE   7  -5.547  -3.709   0.438
   43    HD1  PHE   7           HD1      PHE   7  -5.393  -6.029   0.713
   44    HD2  PHE   7           HD2      PHE   7  -6.287  -3.555   4.109
   45    HE1  PHE   7           HE1      PHE   7  -5.248  -8.012   2.195
   46    HE2  PHE   7           HE2      PHE   7  -6.142  -5.538   5.591
   47    HZ   PHE   7           HZ       PHE   7  -5.621  -7.766   4.635
   48    H    PHE   8           HN       PHE   8  -5.548  -1.135  -0.215
   49    HA   PHE   8           HA       PHE   8  -3.124  -1.485  -1.609
   50   1HB   PHE   8          HB2       PHE   8  -5.573  -0.169  -1.909
   51   2HB   PHE   8          HB1       PHE   8  -4.374   1.118  -2.035
   52    HD1  PHE   8           HD1      PHE   8  -4.470  -2.488  -3.083
   53    HD2  PHE   8           HD2      PHE   8  -3.856   1.599  -4.253
   54    HE1  PHE   8           HE1      PHE   8  -3.914  -3.230  -5.385
   55    HE2  PHE   8           HE2      PHE   8  -3.300   0.857  -6.553
   56    HZ   PHE   8           HZ       PHE   8  -3.330  -1.557  -7.119
   57    H    ARG   9           HN       ARG   9  -4.104   1.384   0.316
   58    HA   ARG   9           HA       ARG   9  -1.695   2.841   0.124
   59   1HB   ARG   9          HB2       ARG   9  -3.986   3.443   1.115
   60   2HB   ARG   9          HB1       ARG   9  -3.441   2.641   2.587
   61   1HG   ARG   9          HG2       ARG   9  -1.364   4.398   1.671
   62   2HG   ARG   9          HG1       ARG   9  -2.879   5.299   1.749
   63   1HD   ARG   9          HD2       ARG   9  -2.005   3.511   4.029
   64   2HD   ARG   9          HD1       ARG   9  -1.492   5.206   3.924
   65    HE   ARG   9           HE       ARG   9  -4.321   5.021   3.455
   66   1HH1  ARG   9          HH21      ARG   9  -1.866   5.651   5.721
   67   2HH1  ARG   9          HH22      ARG   9  -2.935   5.773   7.078
   68   1HH2  ARG   9          HH11      ARG   9  -5.744   4.803   5.291
   69   2HH2  ARG   9          HH12      ARG   9  -5.130   5.293   6.835
   70    H    LEU  10           HN       LEU  10  -2.655   0.468   2.634
   71    HA   LEU  10           HA       LEU  10  -0.309   0.568   4.213
   72   1HB   LEU  10          HB2       LEU  10  -2.652  -0.696   4.346
   73   2HB   LEU  10          HB1       LEU  10  -1.706  -2.025   3.675
   74    HG   LEU  10           HG       LEU  10  -0.003  -1.531   5.539
   75   1HD1  LEU  10          HD11      LEU  10  -0.433   0.248   6.848
   76   2HD1  LEU  10          HD12      LEU  10  -1.880  -0.571   7.433
   77   3HD1  LEU  10          HD13      LEU  10  -1.978   0.507   6.040
   78   1HD2  LEU  10          HD21      LEU  10  -1.801  -2.569   7.265
   79   2HD2  LEU  10          HD22      LEU  10  -1.088  -3.514   5.957
   80   3HD2  LEU  10          HD23      LEU  10  -2.688  -2.800   5.757
   81    H    PHE  11           HN       PHE  11  -1.063  -1.677   1.516
   82    HA   PHE  11           HA       PHE  11   1.411  -3.057   1.463
   83   1HB   PHE  11          HB2       PHE  11  -0.950  -2.635  -0.194
   84   2HB   PHE  11          HB1       PHE  11   0.500  -2.836  -1.178
   85    HD1  PHE  11           HD1      PHE  11   2.170  -4.667   0.273
   86    HD2  PHE  11           HD2      PHE  11  -2.108  -4.663  -0.109
   87    HE1  PHE  11           HE1      PHE  11   2.129  -7.108   0.709
   88    HE2  PHE  11           HE2      PHE  11  -2.149  -7.104   0.326
   89    HZ   PHE  11           HZ       PHE  11  -0.030  -8.326   0.735
   90    H    ASN  12           HN       ASN  12   0.412  -0.225  -0.504
   91    HA   ASN  12           HA       ASN  12   2.843   0.202  -1.874
   92   1HB   ASN  12          HB2       ASN  12   0.538   1.298  -2.116
   93   2HB   ASN  12          HB1       ASN  12   1.016   2.360  -0.791
   94   1HD2  ASN  12          HD21      ASN  12   1.215   4.300  -2.056
   95   2HD2  ASN  12          HD22      ASN  12   2.390   4.483  -3.268
   96    H    ARG  13           HN       ARG  13   1.798   1.514   1.289
   97    HA   ARG  13           HA       ARG  13   4.157   3.054   1.805
   98   1HB   ARG  13          HB2       ARG  13   1.987   1.776   3.473
   99   2HB   ARG  13          HB1       ARG  13   3.282   2.709   4.222
  100   1HG   ARG  13          HG2       ARG  13   2.063   4.045   1.904
  101   2HG   ARG  13          HG1       ARG  13   0.939   3.776   3.238
  102   1HD   ARG  13          HD2       ARG  13   2.254   5.039   4.756
  103   2HD   ARG  13          HD1       ARG  13   3.687   4.955   3.711
  104    HE   ARG  13           HE       ARG  13   1.235   6.332   2.715
  105   1HH1  ARG  13          HH11      ARG  13   3.950   7.029   4.533
  106   2HH1  ARG  13          HH12      ARG  13   4.562   8.264   3.484
  107   1HH2  ARG  13          HH21      ARG  13   2.276   7.620   0.958
  108   2HH2  ARG  13          HH22      ARG  13   3.614   8.598   1.459
  109    H    SER  14           HN       SER  14   3.232  -0.224   2.931
  110    HA   SER  14           HA       SER  14   5.571  -0.842   4.388
  111   1HB   SER  14          HB2       SER  14   3.808  -2.355   4.585
  112   2HB   SER  14          HB1       SER  14   3.481  -2.353   2.854
  113    HG   SER  14           HG       SER  14   5.206  -3.670   2.527
  114    H    PHE  15           HN       PHE  15   4.886  -1.424   0.919
  115    HA   PHE  15           HA       PHE  15   7.429  -2.602   0.298
  116   1HB   PHE  15          HB2       PHE  15   4.991  -1.757  -0.989
  117   2HB   PHE  15          HB1       PHE  15   6.372  -1.236  -1.955
  118    HD1  PHE  15           HD1      PHE  15   4.922  -4.204  -0.210
  119    HD2  PHE  15           HD2      PHE  15   7.575  -2.780  -3.274
  120    HE1  PHE  15           HE1      PHE  15   5.236  -6.528  -1.018
  121    HE2  PHE  15           HE2      PHE  15   7.888  -5.104  -4.082
  122    HZ   PHE  15           HZ       PHE  15   6.719  -6.977  -2.955
  123    H    THR  16           HN       THR  16   6.224   0.724  -0.324
  124    HA   THR  16           HA       THR  16   8.565   1.871  -1.350
  125    HB   THR  16           HB       THR  16   6.386   2.938   0.466
  126    HG1  THR  16           HG1      THR  16   5.953   3.940  -1.718
  127   1HG2  THR  16          HG21      THR  16   7.681   4.946  -1.157
  128   2HG2  THR  16          HG22      THR  16   8.861   4.163  -0.105
  129   3HG2  THR  16          HG23      THR  16   7.430   4.925   0.589
  130    H    GLN  17           HN       GLN  17   7.643   1.451   2.076
  131    HA   GLN  17           HA       GLN  17  10.066   2.710   3.094
  132   1HB   GLN  17          HB2       GLN  17   7.558   2.016   4.030
  133   2HB   GLN  17          HB1       GLN  17   8.604   0.841   4.830
  134   1HG   GLN  17          HG2       GLN  17   8.477   2.788   6.252
  135   2HG   GLN  17          HG1       GLN  17  10.085   2.761   5.529
  136   1HE2  GLN  17          HE21      GLN  17   6.832   3.985   4.516
  137   2HE2  GLN  17          HE22      GLN  17   7.407   5.495   3.996
  138    H    ALA  18           HN       ALA  18   8.892  -0.677   3.293
  139    HA   ALA  18           HA       ALA  18  11.146  -1.951   4.274
  140   1HB   ALA  18          HB1       ALA  18   9.039  -2.651   2.250
  141   2HB   ALA  18          HB2       ALA  18   9.266  -3.284   3.880
  142   3HB   ALA  18          HB3       ALA  18  10.332  -3.805   2.576
  143    H    LEU  19           HN       LEU  19  10.514  -1.407   0.782
  144    HA   LEU  19           HA       LEU  19  12.925  -2.377  -0.269
  145   1HB   LEU  19          HB2       LEU  19  10.674  -1.039  -1.146
  146   2HB   LEU  19          HB1       LEU  19  11.955   0.131  -1.463
  147    HG   LEU  19           HG       LEU  19  13.146  -2.148  -2.348
  148   1HD1  LEU  19          HD11      LEU  19  10.210  -2.404  -3.066
  149   2HD1  LEU  19          HD12      LEU  19  11.043  -3.430  -1.898
  150   3HD1  LEU  19          HD13      LEU  19  11.518  -3.461  -3.596
  151   1HD2  LEU  19          HD21      LEU  19  11.490  -0.017  -3.650
  152   2HD2  LEU  19          HD22      LEU  19  12.047  -1.364  -4.643
  153   3HD2  LEU  19          HD23      LEU  19  13.217  -0.344  -3.807
  154    H    GLY  20           HN       GLY  20  12.276   1.085   0.429
  155   1HA   GLY  20          HA2       GLY  20  13.836   2.455   1.733
  156   2HA   GLY  20          HA1       GLY  20  15.132   1.353   1.259
  157    H    LYS  21           HN       LYS  21  13.283   1.763  -1.464
  158    HA   LYS  21           HA       LYS  21  15.146   3.871  -2.477
  159   1HB   LYS  21          HB2       LYS  21  13.772   1.454  -3.532
  160   2HB   LYS  21          HB1       LYS  21  13.949   2.798  -4.663
  161   1HG   LYS  21          HG2       LYS  21  16.288   1.855  -3.011
  162   2HG   LYS  21          HG1       LYS  21  15.873   1.056  -4.528
  163   1HD   LYS  21          HD2       LYS  21  15.765   3.704  -5.249
  164   2HD   LYS  21          HD1       LYS  21  17.079   3.706  -4.072
  165   1HE   LYS  21          HE2       LYS  21  17.517   1.409  -5.646
  166   2HE   LYS  21          HE1       LYS  21  17.098   2.699  -6.791
  167   1HZ   LYS  21          HZ1       LYS  21  19.334   2.534  -4.922
  168   2HZ   LYS  21          HZ2       LYS  21  18.614   4.060  -5.116
  169   3HZ   LYS  21          HZ3       LYS  21  19.260   3.246  -6.459
  170   1HN   NH2  22          1HN       NH2  22  13.623   5.549  -1.398
  171   2HN   NH2  22          2HN       NH2  22  12.232   6.015  -2.251
  Start of MODEL   21
    1   1H    SER   1          1H        SER   1 -17.991  -6.288   3.907
    2   2H    SER   1          2H        SER   1 -17.728  -4.638   4.215
    3   3H    SER   1          3H        SER   1 -17.743  -5.753   5.497
    4    HA   SER   1           HA       SER   1 -15.494  -5.576   5.259
    5   1HB   SER   1          HB2       SER   1 -16.660  -7.851   4.454
    6   2HB   SER   1          HB1       SER   1 -15.864  -7.427   2.941
    7    HG   SER   1           HG       SER   1 -14.011  -7.017   4.587
    8    H    GLY   2           HN       GLY   2 -14.047  -6.254   2.771
    9   1HA   GLY   2          HA2       GLY   2 -13.758  -5.239   0.539
   10   2HA   GLY   2          HA1       GLY   2 -14.567  -3.796   1.152
   11    H    SER   3           HN       SER   3 -13.366  -2.283   2.336
   12    HA   SER   3           HA       SER   3 -11.401  -1.131   2.974
   13   1HB   SER   3          HB2       SER   3 -11.270  -2.623   4.779
   14   2HB   SER   3          HB1       SER   3 -11.019  -4.017   3.733
   15    HG   SER   3           HG       SER   3  -8.953  -3.651   3.803
   16    H    LEU   4           HN       LEU   4 -11.451  -1.353   0.271
   17    HA   LEU   4           HA       LEU   4  -9.141  -2.776  -0.812
   18   1HB   LEU   4          HB2       LEU   4 -11.295  -0.920  -1.748
   19   2HB   LEU   4          HB1       LEU   4  -9.871  -1.115  -2.770
   20    HG   LEU   4           HG       LEU   4 -10.277  -3.683  -2.340
   21   1HD1  LEU   4          HD11      LEU   4 -13.143  -2.815  -2.248
   22   2HD1  LEU   4          HD12      LEU   4 -12.234  -2.880  -0.739
   23   3HD1  LEU   4          HD13      LEU   4 -12.417  -4.333  -1.720
   24   1HD2  LEU   4          HD21      LEU   4 -11.532  -3.784  -4.396
   25   2HD2  LEU   4          HD22      LEU   4 -10.466  -2.384  -4.513
   26   3HD2  LEU   4          HD23      LEU   4 -12.176  -2.161  -4.147
   27    H    SER   5           HN       SER   5  -9.924   0.726  -0.743
   28    HA   SER   5           HA       SER   5  -7.440   1.776  -1.428
   29   1HB   SER   5          HB2       SER   5  -9.428   2.729   0.659
   30   2HB   SER   5          HB1       SER   5  -8.188   3.739  -0.079
   31    HG   SER   5           HG       SER   5  -9.167   3.167  -2.125
   32    H    THR   6           HN       THR   6  -8.527   1.270   1.959
   33    HA   THR   6           HA       THR   6  -6.178   1.855   3.326
   34    HB   THR   6           HB       THR   6  -7.059  -0.105   4.842
   35    HG1  THR   6           HG1      THR   6  -8.856  -1.035   4.182
   36   1HG2  THR   6          HG21      THR   6  -8.425   2.452   4.080
   37   2HG2  THR   6          HG22      THR   6  -7.612   2.027   5.586
   38   3HG2  THR   6          HG23      THR   6  -9.211   1.371   5.231
   39    H    PHE   7           HN       PHE   7  -7.066  -1.418   2.141
   40    HA   PHE   7           HA       PHE   7  -4.669  -2.752   2.770
   41   1HB   PHE   7          HB2       PHE   7  -6.924  -3.577   1.822
   42   2HB   PHE   7          HB1       PHE   7  -6.264  -3.177   0.236
   43    HD1  PHE   7           HD1      PHE   7  -4.717  -4.658   3.317
   44    HD2  PHE   7           HD2      PHE   7  -5.632  -5.145  -0.852
   45    HE1  PHE   7           HE1      PHE   7  -3.468  -6.799   3.294
   46    HE2  PHE   7           HE2      PHE   7  -4.383  -7.287  -0.875
   47    HZ   PHE   7           HZ       PHE   7  -3.300  -8.115   1.197
   48    H    PHE   8           HN       PHE   8  -5.506  -1.292  -0.404
   49    HA   PHE   8           HA       PHE   8  -3.038  -1.650  -1.699
   50   1HB   PHE   8          HB2       PHE   8  -5.397  -0.610  -2.354
   51   2HB   PHE   8          HB1       PHE   8  -4.570   0.909  -2.005
   52    HD1  PHE   8           HD1      PHE   8  -1.771   0.065  -2.814
   53    HD2  PHE   8           HD2      PHE   8  -5.578  -0.453  -4.736
   54    HE1  PHE   8           HE1      PHE   8  -0.644  -0.040  -5.020
   55    HE2  PHE   8           HE2      PHE   8  -4.449  -0.558  -6.942
   56    HZ   PHE   8           HZ       PHE   8  -1.983  -0.352  -7.084
   57    H    ARG   9           HN       ARG   9  -4.079   1.191   0.231
   58    HA   ARG   9           HA       ARG   9  -1.676   2.684   0.046
   59   1HB   ARG   9          HB2       ARG   9  -3.878   2.416   2.098
   60   2HB   ARG   9          HB1       ARG   9  -2.568   3.579   2.305
   61   1HG   ARG   9          HG2       ARG   9  -3.993   3.510  -0.325
   62   2HG   ARG   9          HG1       ARG   9  -4.808   4.262   1.047
   63   1HD   ARG   9          HD2       ARG   9  -2.861   5.743   1.406
   64   2HD   ARG   9          HD1       ARG   9  -2.038   4.990   0.025
   65    HE   ARG   9           HE       ARG   9  -4.624   6.486  -0.203
   66   1HH1  ARG   9          HH21      ARG   9  -3.447   4.451  -2.291
   67   2HH1  ARG   9          HH22      ARG   9  -2.824   5.571  -3.457
   68   1HH2  ARG   9          HH11      ARG   9  -3.043   8.307  -1.339
   69   2HH2  ARG   9          HH12      ARG   9  -2.595   7.754  -2.918
   70    H    LEU  10           HN       LEU  10  -2.683   0.349   2.574
   71    HA   LEU  10           HA       LEU  10  -0.371   0.478   4.198
   72   1HB   LEU  10          HB2       LEU  10  -2.743  -0.874   4.150
   73   2HB   LEU  10          HB1       LEU  10  -1.616  -2.176   3.772
   74    HG   LEU  10           HG       LEU  10  -0.750  -0.389   5.958
   75   1HD1  LEU  10          HD11      LEU  10  -3.260  -2.058   6.118
   76   2HD1  LEU  10          HD12      LEU  10  -3.011  -0.397   6.656
   77   3HD1  LEU  10          HD13      LEU  10  -2.283  -1.732   7.549
   78   1HD2  LEU  10          HD21      LEU  10   0.085  -2.757   4.999
   79   2HD2  LEU  10          HD22      LEU  10  -1.056  -3.346   6.207
   80   3HD2  LEU  10          HD23      LEU  10   0.287  -2.312   6.694
   81    H    PHE  11           HN       PHE  11  -1.065  -1.826   1.534
   82    HA   PHE  11           HA       PHE  11   1.435  -3.172   1.556
   83   1HB   PHE  11          HB2       PHE  11  -0.908  -3.402   0.248
   84   2HB   PHE  11          HB1       PHE  11   0.044  -2.640  -1.027
   85    HD1  PHE  11           HD1      PHE  11   2.748  -3.811  -0.054
   86    HD2  PHE  11           HD2      PHE  11  -1.091  -5.568  -0.845
   87    HE1  PHE  11           HE1      PHE  11   3.843  -5.983  -0.539
   88    HE2  PHE  11           HE2      PHE  11   0.004  -7.741  -1.330
   89    HZ   PHE  11           HZ       PHE  11   2.470  -7.948  -1.177
   90    H    ASN  12           HN       ASN  12   0.391  -0.342  -0.377
   91    HA   ASN  12           HA       ASN  12   2.818   0.049  -1.810
   92   1HB   ASN  12          HB2       ASN  12   0.767   1.151  -2.426
   93   2HB   ASN  12          HB1       ASN  12   0.631   1.909  -0.839
   94   1HD2  ASN  12          HD21      ASN  12   0.539   3.870  -2.527
   95   2HD2  ASN  12          HD22      ASN  12   2.034   4.608  -2.845
   96    H    ARG  13           HN       ARG  13   1.710   1.595   1.233
   97    HA   ARG  13           HA       ARG  13   4.026   3.153   1.738
   98   1HB   ARG  13          HB2       ARG  13   1.884   1.853   3.419
   99   2HB   ARG  13          HB1       ARG  13   3.170   2.794   4.176
  100   1HG   ARG  13          HG2       ARG  13   2.077   4.203   1.886
  101   2HG   ARG  13          HG1       ARG  13   0.805   3.798   3.040
  102   1HD   ARG  13          HD2       ARG  13   3.393   4.949   4.061
  103   2HD   ARG  13          HD1       ARG  13   2.156   6.027   3.383
  104    HE   ARG  13           HE       ARG  13   1.133   4.051   5.301
  105   1HH1  ARG  13          HH21      ARG  13   1.025   7.227   4.339
  106   2HH1  ARG  13          HH22      ARG  13   0.920   7.907   5.929
  107   1HH2  ARG  13          HH11      ARG  13   1.581   4.911   7.543
  108   2HH2  ARG  13          HH12      ARG  13   1.234   6.596   7.742
  109    H    SER  14           HN       SER  14   3.222  -0.118   2.978
  110    HA   SER  14           HA       SER  14   5.627  -0.595   4.396
  111   1HB   SER  14          HB2       SER  14   3.936  -2.568   2.831
  112   2HB   SER  14          HB1       SER  14   4.935  -2.926   4.237
  113    HG   SER  14           HG       SER  14   3.327  -2.319   5.429
  114    H    PHE  15           HN       PHE  15   4.819  -1.350   0.991
  115    HA   PHE  15           HA       PHE  15   7.292  -2.583   0.292
  116   1HB   PHE  15          HB2       PHE  15   5.263  -2.701  -1.060
  117   2HB   PHE  15          HB1       PHE  15   5.286  -0.954  -1.300
  118    HD1  PHE  15           HD1      PHE  15   6.480  -0.007  -3.096
  119    HD2  PHE  15           HD2      PHE  15   7.305  -4.046  -1.889
  120    HE1  PHE  15           HE1      PHE  15   7.957  -0.295  -5.067
  121    HE2  PHE  15           HE2      PHE  15   8.782  -4.333  -3.861
  122    HZ   PHE  15           HZ       PHE  15   9.108  -2.458  -5.449
  123    H    THR  16           HN       THR  16   6.234   0.799  -0.292
  124    HA   THR  16           HA       THR  16   8.675   1.790  -1.321
  125    HB   THR  16           HB       THR  16   6.485   3.062   0.348
  126    HG1  THR  16           HG1      THR  16   6.991   3.208  -2.430
  127   1HG2  THR  16          HG21      THR  16   9.022   4.129  -0.424
  128   2HG2  THR  16          HG22      THR  16   7.688   4.957   0.379
  129   3HG2  THR  16          HG23      THR  16   7.774   4.925  -1.383
  130    H    GLN  17           HN       GLN  17   7.587   1.453   2.054
  131    HA   GLN  17           HA       GLN  17   9.900   2.780   3.205
  132   1HB   GLN  17          HB2       GLN  17   7.643   1.022   4.157
  133   2HB   GLN  17          HB1       GLN  17   8.936   1.486   5.263
  134   1HG   GLN  17          HG2       GLN  17   8.055   3.798   3.782
  135   2HG   GLN  17          HG1       GLN  17   6.669   3.016   4.543
  136   1HE2  GLN  17          HE21      GLN  17   7.813   5.582   5.397
  137   2HE2  GLN  17          HE22      GLN  17   8.378   5.366   6.982
  138    H    ALA  18           HN       ALA  18   8.914  -0.675   3.212
  139    HA   ALA  18           HA       ALA  18  11.284  -1.772   4.259
  140   1HB   ALA  18          HB1       ALA  18   9.995  -3.276   2.070
  141   2HB   ALA  18          HB2       ALA  18   8.874  -2.653   3.280
  142   3HB   ALA  18          HB3       ALA  18  10.195  -3.716   3.765
  143    H    LEU  19           HN       LEU  19  10.548  -0.769   0.938
  144    HA   LEU  19           HA       LEU  19  12.830  -1.937  -0.343
  145   1HB   LEU  19          HB2       LEU  19  10.736   0.080  -0.858
  146   2HB   LEU  19          HB1       LEU  19  12.222   0.329  -1.774
  147    HG   LEU  19           HG       LEU  19  10.584  -1.137  -2.966
  148   1HD1  LEU  19          HD11      LEU  19  12.206  -2.815  -3.608
  149   2HD1  LEU  19          HD12      LEU  19  13.070  -2.631  -2.081
  150   3HD1  LEU  19          HD13      LEU  19  13.081  -1.323  -3.265
  151   1HD2  LEU  19          HD21      LEU  19  10.504  -3.535  -1.982
  152   2HD2  LEU  19          HD22      LEU  19   9.480  -2.310  -1.233
  153   3HD2  LEU  19          HD23      LEU  19  10.998  -2.781  -0.467
  154    H    GLY  20           HN       GLY  20  12.303   1.403   0.858
  155   1HA   GLY  20          HA2       GLY  20  15.195   1.953   0.554
  156   2HA   GLY  20          HA1       GLY  20  13.958   3.138   0.985
  157    H    LYS  21           HN       LYS  21  13.327   0.478   2.865
  158    HA   LYS  21           HA       LYS  21  15.234   1.295   5.020
  159   1HB   LYS  21          HB2       LYS  21  13.048   2.520   5.158
  160   2HB   LYS  21          HB1       LYS  21  12.230   0.964   5.299
  161   1HG   LYS  21          HG2       LYS  21  14.273   0.843   7.202
  162   2HG   LYS  21          HG1       LYS  21  13.646   2.486   7.337
  163   1HD   LYS  21          HD2       LYS  21  11.431   1.717   7.755
  164   2HD   LYS  21          HD1       LYS  21  11.825   0.075   7.246
  165   1HE   LYS  21          HE2       LYS  21  13.599   0.230   9.216
  166   2HE   LYS  21          HE1       LYS  21  12.474   1.460   9.826
  167   1HZ   LYS  21          HZ1       LYS  21  12.017  -1.395   9.338
  168   2HZ   LYS  21          HZ2       LYS  21  10.722  -0.324   9.088
  169   3HZ   LYS  21          HZ3       LYS  21  11.467  -0.420  10.611
  170   1HN   NH2  22          1HN       NH2  22  16.211  -0.894   4.437
  171   2HN   NH2  22          2HN       NH2  22  15.473  -2.305   5.028
  Start of MODEL   22
    1   1H    SER   1          1H        SER   1 -14.778  -5.002  -7.090
    2   2H    SER   1          2H        SER   1 -15.605  -4.306  -5.781
    3   3H    SER   1          3H        SER   1 -14.667  -5.703  -5.550
    4    HA   SER   1           HA       SER   1 -12.762  -4.150  -6.479
    5   1HB   SER   1          HB2       SER   1 -15.022  -2.424  -5.473
    6   2HB   SER   1          HB1       SER   1 -13.358  -1.849  -5.417
    7    HG   SER   1           HG       SER   1 -13.713  -1.332  -7.424
    8    H    GLY   2           HN       GLY   2 -11.854  -5.671  -4.934
    9   1HA   GLY   2          HA2       GLY   2 -12.287  -4.952  -2.067
   10   2HA   GLY   2          HA1       GLY   2 -11.701  -6.519  -2.625
   11    H    SER   3           HN       SER   3 -10.496  -3.579  -4.070
   12    HA   SER   3           HA       SER   3  -7.849  -4.103  -2.760
   13   1HB   SER   3          HB2       SER   3  -8.091  -2.492  -5.249
   14   2HB   SER   3          HB1       SER   3  -6.905  -3.723  -4.823
   15    HG   SER   3           HG       SER   3  -8.262  -5.273  -5.470
   16    H    LEU   4           HN       LEU   4  -6.739  -1.603  -3.706
   17    HA   LEU   4           HA       LEU   4  -6.443   0.587  -2.855
   18   1HB   LEU   4          HB2       LEU   4  -8.842   0.291  -4.189
   19   2HB   LEU   4          HB1       LEU   4  -9.349   1.018  -2.664
   20    HG   LEU   4           HG       LEU   4  -7.048   2.438  -3.371
   21   1HD1  LEU   4          HD11      LEU   4  -8.787   1.843  -5.779
   22   2HD1  LEU   4          HD12      LEU   4  -7.047   1.596  -5.624
   23   3HD1  LEU   4          HD13      LEU   4  -7.703   3.232  -5.693
   24   1HD2  LEU   4          HD21      LEU   4  -9.828   3.347  -4.102
   25   2HD2  LEU   4          HD22      LEU   4  -8.510   4.282  -3.395
   26   3HD2  LEU   4          HD23      LEU   4  -9.385   3.106  -2.412
   27    H    SER   5           HN       SER   5  -8.585   1.890  -1.192
   28    HA   SER   5           HA       SER   5  -8.994   2.190   1.117
   29   1HB   SER   5          HB2       SER   5  -9.117  -0.808   0.712
   30   2HB   SER   5          HB1       SER   5  -9.578  -0.036   2.226
   31    HG   SER   5           HG       SER   5 -10.909   1.345   0.679
   32    H    THR   6           HN       THR   6  -8.166   1.196   3.390
   33    HA   THR   6           HA       THR   6  -5.471   1.808   3.748
   34    HB   THR   6           HB       THR   6  -6.868  -0.395   5.271
   35    HG1  THR   6           HG1      THR   6  -7.412   2.385   5.258
   36   1HG2  THR   6          HG21      THR   6  -4.487   0.689   5.728
   37   2HG2  THR   6          HG22      THR   6  -5.574   0.292   7.059
   38   3HG2  THR   6          HG23      THR   6  -5.465   1.953   6.476
   39    H    PHE   7           HN       PHE   7  -6.838  -1.469   3.236
   40    HA   PHE   7           HA       PHE   7  -4.598  -3.075   3.355
   41   1HB   PHE   7          HB2       PHE   7  -7.186  -3.200   2.344
   42   2HB   PHE   7          HB1       PHE   7  -6.183  -3.547   0.935
   43    HD1  PHE   7           HD1      PHE   7  -6.496  -4.450   4.563
   44    HD2  PHE   7           HD2      PHE   7  -5.388  -5.721   0.612
   45    HE1  PHE   7           HE1      PHE   7  -6.089  -6.744   5.414
   46    HE2  PHE   7           HE2      PHE   7  -4.983  -8.014   1.462
   47    HZ   PHE   7           HZ       PHE   7  -5.334  -8.526   3.864
   48    H    PHE   8           HN       PHE   8  -5.670  -1.663   0.235
   49    HA   PHE   8           HA       PHE   8  -3.253  -2.159  -1.173
   50   1HB   PHE   8          HB2       PHE   8  -5.719  -1.270  -1.773
   51   2HB   PHE   8          HB1       PHE   8  -4.872   0.278  -1.765
   52    HD1  PHE   8           HD1      PHE   8  -4.548  -3.214  -3.094
   53    HD2  PHE   8           HD2      PHE   8  -3.702   0.957  -3.675
   54    HE1  PHE   8           HE1      PHE   8  -3.609  -3.716  -5.334
   55    HE2  PHE   8           HE2      PHE   8  -2.764   0.455  -5.914
   56    HZ   PHE   8           HZ       PHE   8  -2.717  -1.882  -6.744
   57    H    ARG   9           HN       ARG   9  -4.336   0.801   0.529
   58    HA   ARG   9           HA       ARG   9  -2.085   2.435  -0.008
   59   1HB   ARG   9          HB2       ARG   9  -4.452   2.559   1.413
   60   2HB   ARG   9          HB1       ARG   9  -3.239   2.646   2.691
   61   1HG   ARG   9          HG2       ARG   9  -3.531   4.900   2.060
   62   2HG   ARG   9          HG1       ARG   9  -2.081   4.410   1.182
   63   1HD   ARG   9          HD2       ARG   9  -3.114   4.576  -0.854
   64   2HD   ARG   9          HD1       ARG   9  -4.640   3.912  -0.238
   65    HE   ARG   9           HE       ARG   9  -3.769   6.750   0.052
   66   1HH1  ARG   9          HH11      ARG   9  -5.411   5.733   2.368
   67   2HH1  ARG   9          HH12      ARG   9  -7.018   6.130   1.861
   68   1HH2  ARG   9          HH21      ARG   9  -6.138   6.620  -1.457
   69   2HH2  ARG   9          HH22      ARG   9  -7.430   6.632  -0.304
   70    H    LEU  10           HN       LEU  10  -2.657   0.200   2.733
   71    HA   LEU  10           HA       LEU  10  -0.169   0.657   4.067
   72   1HB   LEU  10          HB2       LEU  10  -2.448  -0.658   4.603
   73   2HB   LEU  10          HB1       LEU  10  -1.470  -2.032   4.083
   74    HG   LEU  10           HG       LEU  10  -1.166  -1.813   6.461
   75   1HD1  LEU  10          HD11      LEU  10   1.265  -0.413   5.375
   76   2HD1  LEU  10          HD12      LEU  10   0.880  -2.050   4.842
   77   3HD1  LEU  10          HD13      LEU  10   1.174  -1.724   6.550
   78   1HD2  LEU  10          HD21      LEU  10   0.008   0.581   7.031
   79   2HD2  LEU  10          HD22      LEU  10  -1.718   0.271   7.222
   80   3HD2  LEU  10          HD23      LEU  10  -1.121   1.068   5.767
   81    H    PHE  11           HN       PHE  11  -1.127  -1.813   1.661
   82    HA   PHE  11           HA       PHE  11   1.320  -3.252   1.565
   83   1HB   PHE  11          HB2       PHE  11  -1.134  -2.895   0.011
   84   2HB   PHE  11          HB1       PHE  11   0.256  -3.265  -1.010
   85    HD1  PHE  11           HD1      PHE  11  -0.924  -4.327   2.399
   86    HD2  PHE  11           HD2      PHE  11   0.474  -5.530  -1.481
   87    HE1  PHE  11           HE1      PHE  11  -1.043  -6.704   3.092
   88    HE2  PHE  11           HE2      PHE  11   0.356  -7.908  -0.786
   89    HZ   PHE  11           HZ       PHE  11  -0.404  -8.495   1.501
   90    H    ASN  12           HN       ASN  12   0.223  -0.524  -0.491
   91    HA   ASN  12           HA       ASN  12   2.634  -0.280  -2.011
   92   1HB   ASN  12          HB2       ASN  12   0.450   1.669  -1.217
   93   2HB   ASN  12          HB1       ASN  12   1.681   2.028  -2.429
   94   1HD2  ASN  12          HD21      ASN  12   1.586   0.861  -4.473
   95   2HD2  ASN  12          HD22      ASN  12   0.219  -0.039  -4.920
   96    H    ARG  13           HN       ARG  13   1.500   1.711   0.755
   97    HA   ARG  13           HA       ARG  13   3.832   3.260   1.111
   98   1HB   ARG  13          HB2       ARG  13   1.534   2.312   2.759
   99   2HB   ARG  13          HB1       ARG  13   2.895   3.022   3.625
  100   1HG   ARG  13          HG2       ARG  13   2.397   5.107   2.906
  101   2HG   ARG  13          HG1       ARG  13   2.152   4.558   1.247
  102   1HD   ARG  13          HD2       ARG  13  -0.065   4.921   1.601
  103   2HD   ARG  13          HD1       ARG  13  -0.027   3.491   2.653
  104    HE   ARG  13           HE       ARG  13  -0.349   6.138   3.610
  105   1HH1  ARG  13          HH21      ARG  13   0.628   3.047   4.508
  106   2HH1  ARG  13          HH22      ARG  13   1.395   3.530   5.984
  107   1HH2  ARG  13          HH11      ARG  13   1.087   6.924   5.344
  108   2HH2  ARG  13          HH12      ARG  13   1.655   5.725   6.457
  109    H    SER  14           HN       SER  14   2.980   0.154   2.689
  110    HA   SER  14           HA       SER  14   5.349  -0.158   4.224
  111   1HB   SER  14          HB2       SER  14   3.547  -1.596   4.684
  112   2HB   SER  14          HB1       SER  14   3.295  -1.977   2.984
  113    HG   SER  14           HG       SER  14   4.440  -3.552   4.485
  114    H    PHE  15           HN       PHE  15   4.600  -1.353   0.930
  115    HA   PHE  15           HA       PHE  15   7.058  -2.668   0.410
  116   1HB   PHE  15          HB2       PHE  15   4.689  -1.789  -0.959
  117   2HB   PHE  15          HB1       PHE  15   6.093  -1.410  -1.957
  118    HD1  PHE  15           HD1      PHE  15   5.919  -3.078  -3.653
  119    HD2  PHE  15           HD2      PHE  15   5.792  -4.194   0.493
  120    HE1  PHE  15           HE1      PHE  15   6.112  -5.466  -4.290
  121    HE2  PHE  15           HE2      PHE  15   5.985  -6.583  -0.144
  122    HZ   PHE  15           HZ       PHE  15   6.146  -7.219  -2.535
  123    H    THR  16           HN       THR  16   6.108   0.702  -0.375
  124    HA   THR  16           HA       THR  16   8.591   1.527  -1.492
  125    HB   THR  16           HB       THR  16   6.330   2.912  -0.041
  126    HG1  THR  16           HG1      THR  16   5.558   2.996  -1.979
  127   1HG2  THR  16          HG21      THR  16   8.338   4.262   0.323
  128   2HG2  THR  16          HG22      THR  16   7.293   5.049  -0.860
  129   3HG2  THR  16          HG23      THR  16   8.729   4.175  -1.394
  130    H    GLN  17           HN       GLN  17   7.410   1.695   1.881
  131    HA   GLN  17           HA       GLN  17   9.788   2.948   2.938
  132   1HB   GLN  17          HB2       GLN  17   7.265   2.498   3.790
  133   2HB   GLN  17          HB1       GLN  17   8.084   1.175   4.621
  134   1HG   GLN  17          HG2       GLN  17   9.720   2.803   5.548
  135   2HG   GLN  17          HG1       GLN  17   8.827   4.112   4.774
  136   1HE2  GLN  17          HE21      GLN  17   8.735   4.681   7.287
  137   2HE2  GLN  17          HE22      GLN  17   7.368   4.101   8.109
  138    H    ALA  18           HN       ALA  18   8.614  -0.440   3.133
  139    HA   ALA  18           HA       ALA  18  10.829  -1.591   4.427
  140   1HB   ALA  18          HB1       ALA  18   8.811  -2.516   2.391
  141   2HB   ALA  18          HB2       ALA  18   8.918  -2.924   4.104
  142   3HB   ALA  18          HB3       ALA  18  10.062  -3.623   2.957
  143    H    LEU  19           HN       LEU  19  10.337  -1.074   0.920
  144    HA   LEU  19           HA       LEU  19  12.720  -2.285  -0.021
  145   1HB   LEU  19          HB2       LEU  19  10.982   0.010  -0.941
  146   2HB   LEU  19          HB1       LEU  19  12.357  -0.542  -1.898
  147    HG   LEU  19           HG       LEU  19  10.265  -2.478  -0.910
  148   1HD1  LEU  19          HD11      LEU  19  10.239  -1.134  -3.622
  149   2HD1  LEU  19          HD12      LEU  19   9.261  -0.560  -2.271
  150   3HD1  LEU  19          HD13      LEU  19   9.004  -2.181  -2.919
  151   1HD2  LEU  19          HD21      LEU  19  12.690  -2.586  -2.479
  152   2HD2  LEU  19          HD22      LEU  19  11.322  -3.126  -3.453
  153   3HD2  LEU  19          HD23      LEU  19  11.678  -3.918  -1.917
  154    H    GLY  20           HN       GLY  20  12.137   1.097   0.996
  155   1HA   GLY  20          HA2       GLY  20  13.680   2.630   1.925
  156   2HA   GLY  20          HA1       GLY  20  14.912   1.366   1.867
  157    H    LYS  21           HN       LYS  21  13.557   1.418  -1.161
  158    HA   LYS  21           HA       LYS  21  15.406   3.558  -2.148
  159   1HB   LYS  21          HB2       LYS  21  15.096   0.713  -3.165
  160   2HB   LYS  21          HB1       LYS  21  16.135   1.942  -3.887
  161   1HG   LYS  21          HG2       LYS  21  17.765   1.489  -2.406
  162   2HG   LYS  21          HG1       LYS  21  16.664   1.785  -1.060
  163   1HD   LYS  21          HD2       LYS  21  17.121  -0.443  -0.674
  164   2HD   LYS  21          HD1       LYS  21  15.750  -0.623  -1.767
  165   1HE   LYS  21          HE2       LYS  21  17.757  -0.438  -3.586
  166   2HE   LYS  21          HE1       LYS  21  18.620  -1.211  -2.242
  167   1HZ   LYS  21          HZ1       LYS  21  15.919  -2.112  -3.015
  168   2HZ   LYS  21          HZ2       LYS  21  17.122  -2.959  -2.167
  169   3HZ   LYS  21          HZ3       LYS  21  17.280  -2.698  -3.838
  170   1HN   NH2  22          1HN       NH2  22  14.863   3.986  -4.607
  171   2HN   NH2  22          2HN       NH2  22  13.222   3.947  -5.037
  Start of MODEL   23
    1   1H    SER   1          1H        SER   1 -15.552  -0.879  -2.587
    2   2H    SER   1          2H        SER   1 -16.292  -2.289  -1.997
    3   3H    SER   1          3H        SER   1 -14.603  -2.218  -2.160
    4    HA   SER   1           HA       SER   1 -14.688  -0.295  -0.502
    5   1HB   SER   1          HB2       SER   1 -17.082   0.085  -0.776
    6   2HB   SER   1          HB1       SER   1 -17.434  -1.570  -0.291
    7    HG   SER   1           HG       SER   1 -17.245   0.523   1.255
    8    H    GLY   2           HN       GLY   2 -15.399  -3.684  -0.844
    9   1HA   GLY   2          HA2       GLY   2 -14.836  -4.426   1.905
   10   2HA   GLY   2          HA1       GLY   2 -14.911  -5.533   0.533
   11    H    SER   3           HN       SER   3 -12.809  -3.376   2.352
   12    HA   SER   3           HA       SER   3 -10.451  -3.308   2.495
   13   1HB   SER   3          HB2       SER   3 -10.215  -5.505   3.075
   14   2HB   SER   3          HB1       SER   3 -11.296  -6.051   1.796
   15    HG   SER   3           HG       SER   3  -9.642  -6.277   0.493
   16    H    LEU   4           HN       LEU   4 -10.058  -1.655   0.935
   17    HA   LEU   4           HA       LEU   4  -8.915  -2.627  -1.627
   18   1HB   LEU   4          HB2       LEU   4 -11.515  -1.920  -1.560
   19   2HB   LEU   4          HB1       LEU   4 -10.800  -0.322  -1.785
   20    HG   LEU   4           HG       LEU   4  -9.617  -2.394  -3.504
   21   1HD1  LEU   4          HD11      LEU   4 -12.488  -1.537  -3.979
   22   2HD1  LEU   4          HD12      LEU   4 -12.011  -3.135  -3.405
   23   3HD1  LEU   4          HD13      LEU   4 -11.518  -2.591  -5.008
   24   1HD2  LEU   4          HD21      LEU   4  -9.062  -0.108  -3.902
   25   2HD2  LEU   4          HD22      LEU   4 -10.751   0.393  -3.823
   26   3HD2  LEU   4          HD23      LEU   4 -10.174  -0.546  -5.199
   27    H    SER   5           HN       SER   5  -9.949   0.561  -0.367
   28    HA   SER   5           HA       SER   5  -7.603   1.948  -1.208
   29   1HB   SER   5          HB2       SER   5  -9.430   3.305  -0.739
   30   2HB   SER   5          HB1       SER   5  -9.883   2.372   0.686
   31    HG   SER   5           HG       SER   5  -8.930   3.991   1.664
   32    H    THR   6           HN       THR   6  -8.474   1.517   2.227
   33    HA   THR   6           HA       THR   6  -6.021   1.959   3.412
   34    HB   THR   6           HB       THR   6  -6.857   0.428   5.189
   35    HG1  THR   6           HG1      THR   6  -8.225  -1.087   4.706
   36   1HG2  THR   6          HG21      THR   6  -8.023   2.337   5.570
   37   2HG2  THR   6          HG22      THR   6  -9.391   1.445   4.907
   38   3HG2  THR   6          HG23      THR   6  -8.454   2.520   3.870
   39    H    PHE   7           HN       PHE   7  -7.112  -1.117   1.963
   40    HA   PHE   7           HA       PHE   7  -4.858  -2.713   2.647
   41   1HB   PHE   7          HB2       PHE   7  -7.163  -3.267   1.585
   42   2HB   PHE   7          HB1       PHE   7  -6.385  -2.889   0.048
   43    HD1  PHE   7           HD1      PHE   7  -5.892  -4.941   3.145
   44    HD2  PHE   7           HD2      PHE   7  -5.157  -4.542  -1.069
   45    HE1  PHE   7           HE1      PHE   7  -4.860  -7.196   3.110
   46    HE2  PHE   7           HE2      PHE   7  -4.124  -6.796  -1.102
   47    HZ   PHE   7           HZ       PHE   7  -3.976  -8.124   0.987
   48    H    PHE   8           HN       PHE   8  -5.499  -1.117  -0.507
   49    HA   PHE   8           HA       PHE   8  -2.963  -1.563  -1.669
   50   1HB   PHE   8          HB2       PHE   8  -5.218  -0.587  -2.562
   51   2HB   PHE   8          HB1       PHE   8  -4.553   0.968  -2.062
   52    HD1  PHE   8           HD1      PHE   8  -1.961   1.279  -2.766
   53    HD2  PHE   8           HD2      PHE   8  -4.812  -1.244  -4.756
   54    HE1  PHE   8           HE1      PHE   8  -0.591   1.360  -4.833
   55    HE2  PHE   8           HE2      PHE   8  -3.442  -1.162  -6.823
   56    HZ   PHE   8           HZ       PHE   8  -1.333   0.141  -6.860
   57    H    ARG   9           HN       ARG   9  -4.084   1.250   0.244
   58    HA   ARG   9           HA       ARG   9  -1.729   2.810   0.130
   59   1HB   ARG   9          HB2       ARG   9  -4.183   3.026   1.225
   60   2HB   ARG   9          HB1       ARG   9  -3.263   2.643   2.681
   61   1HG   ARG   9          HG2       ARG   9  -1.609   4.481   1.700
   62   2HG   ARG   9          HG1       ARG   9  -3.079   5.038   0.897
   63   1HD   ARG   9          HD2       ARG   9  -4.235   5.149   3.088
   64   2HD   ARG   9          HD1       ARG   9  -2.742   4.620   3.890
   65    HE   ARG   9           HE       ARG   9  -2.075   6.875   3.716
   66   1HH1  ARG   9          HH21      ARG   9  -4.700   6.505   1.645
   67   2HH1  ARG   9          HH22      ARG   9  -4.224   7.750   0.539
   68   1HH2  ARG   9          HH11      ARG   9  -1.123   8.239   2.013
   69   2HH2  ARG   9          HH12      ARG   9  -2.198   8.732   0.747
   70    H    LEU  10           HN       LEU  10  -2.672   0.437   2.652
   71    HA   LEU  10           HA       LEU  10  -0.283   0.566   4.182
   72   1HB   LEU  10          HB2       LEU  10  -2.707  -0.774   4.202
   73   2HB   LEU  10          HB1       LEU  10  -1.542  -2.078   3.961
   74    HG   LEU  10           HG       LEU  10  -1.046   0.017   6.062
   75   1HD1  LEU  10          HD11      LEU  10  -3.225  -1.905   6.016
   76   2HD1  LEU  10          HD12      LEU  10  -2.878  -0.644   7.198
   77   3HD1  LEU  10          HD13      LEU  10  -2.122  -2.229   7.352
   78   1HD2  LEU  10          HD21      LEU  10   0.805  -1.293   6.167
   79   2HD2  LEU  10          HD22      LEU  10   0.054  -2.572   5.214
   80   3HD2  LEU  10          HD23      LEU  10  -0.239  -2.478   6.951
   81    H    PHE  11           HN       PHE  11  -1.165  -1.691   1.540
   82    HA   PHE  11           HA       PHE  11   1.208  -3.225   1.488
   83   1HB   PHE  11          HB2       PHE  11  -0.839  -3.744   0.245
   84   2HB   PHE  11          HB1       PHE  11  -0.630  -2.298  -0.743
   85    HD1  PHE  11           HD1      PHE  11   0.097  -2.782  -2.898
   86    HD2  PHE  11           HD2      PHE  11   1.619  -5.088   0.393
   87    HE1  PHE  11           HE1      PHE  11   1.544  -4.057  -4.459
   88    HE2  PHE  11           HE2      PHE  11   3.065  -6.361  -1.169
   89    HZ   PHE  11           HZ       PHE  11   3.027  -5.846  -3.594
   90    H    ASN  12           HN       ASN  12   0.445  -0.231  -0.328
   91    HA   ASN  12           HA       ASN  12   2.961  -0.010  -1.671
   92   1HB   ASN  12          HB2       ASN  12   0.848   1.181  -2.228
   93   2HB   ASN  12          HB1       ASN  12   1.014   2.131  -0.751
   94   1HD2  ASN  12          HD21      ASN  12   1.642   4.196  -1.434
   95   2HD2  ASN  12          HD22      ASN  12   2.911   4.510  -2.517
   96    H    ARG  13           HN       ARG  13   1.797   1.773   1.221
   97    HA   ARG  13           HA       ARG  13   4.146   3.128   1.902
   98   1HB   ARG  13          HB2       ARG  13   1.685   2.197   3.172
   99   2HB   ARG  13          HB1       ARG  13   3.025   2.287   4.316
  100   1HG   ARG  13          HG2       ARG  13   2.582   4.564   2.415
  101   2HG   ARG  13          HG1       ARG  13   1.552   4.426   3.840
  102   1HD   ARG  13          HD2       ARG  13   3.356   4.698   5.329
  103   2HD   ARG  13          HD1       ARG  13   4.554   4.235   4.104
  104    HE   ARG  13           HE       ARG  13   2.950   6.654   3.529
  105   1HH1  ARG  13          HH11      ARG  13   5.346   6.115   5.727
  106   2HH1  ARG  13          HH12      ARG  13   6.539   7.126   4.983
  107   1HH2  ARG  13          HH21      ARG  13   4.720   7.580   2.066
  108   2HH2  ARG  13          HH22      ARG  13   6.184   7.956   2.910
  109    H    SER  14           HN       SER  14   3.205  -0.186   2.882
  110    HA   SER  14           HA       SER  14   5.550  -0.755   4.423
  111   1HB   SER  14          HB2       SER  14   3.201  -1.940   4.056
  112   2HB   SER  14          HB1       SER  14   4.095  -2.847   2.839
  113    HG   SER  14           HG       SER  14   4.175  -3.009   5.550
  114    H    PHE  15           HN       PHE  15   4.749  -1.609   1.031
  115    HA   PHE  15           HA       PHE  15   7.252  -2.831   0.401
  116   1HB   PHE  15          HB2       PHE  15   4.856  -2.548  -0.793
  117   2HB   PHE  15          HB1       PHE  15   5.739  -1.291  -1.660
  118    HD1  PHE  15           HD1      PHE  15   8.494  -2.727  -1.338
  119    HD2  PHE  15           HD2      PHE  15   4.643  -4.014  -2.738
  120    HE1  PHE  15           HE1      PHE  15   9.584  -4.457  -2.742
  121    HE2  PHE  15           HE2      PHE  15   5.731  -5.744  -4.143
  122    HZ   PHE  15           HZ       PHE  15   8.202  -5.965  -4.145
  123    H    THR  16           HN       THR  16   6.112   0.523  -0.143
  124    HA   THR  16           HA       THR  16   8.519   1.506  -1.332
  125    HB   THR  16           HB       THR  16   6.250   2.752   0.238
  126    HG1  THR  16           HG1      THR  16   5.857   3.536  -1.969
  127   1HG2  THR  16          HG21      THR  16   7.051   4.933  -0.557
  128   2HG2  THR  16          HG22      THR  16   8.451   4.159  -1.300
  129   3HG2  THR  16          HG23      THR  16   8.272   4.163   0.455
  130    H    GLN  17           HN       GLN  17   7.419   1.467   2.068
  131    HA   GLN  17           HA       GLN  17   9.644   2.884   3.178
  132   1HB   GLN  17          HB2       GLN  17   7.608   2.560   4.416
  133   2HB   GLN  17          HB1       GLN  17   7.706   0.808   4.233
  134   1HG   GLN  17          HG2       GLN  17   9.008   0.626   6.060
  135   2HG   GLN  17          HG1       GLN  17  10.131   1.835   5.437
  136   1HE2  GLN  17          HE21      GLN  17  10.053   2.349   7.946
  137   2HE2  GLN  17          HE22      GLN  17   8.896   3.493   8.425
  138    H    ALA  18           HN       ALA  18   9.051  -0.638   2.860
  139    HA   ALA  18           HA       ALA  18  11.534  -1.493   3.991
  140   1HB   ALA  18          HB1       ALA  18   9.883  -3.130   3.792
  141   2HB   ALA  18          HB2       ALA  18  10.909  -3.528   2.414
  142   3HB   ALA  18          HB3       ALA  18   9.423  -2.609   2.172
  143    H    LEU  19           HN       LEU  19  10.581  -0.905   0.592
  144    HA   LEU  19           HA       LEU  19  12.934  -1.694  -0.722
  145   1HB   LEU  19          HB2       LEU  19  10.693  -0.840  -1.620
  146   2HB   LEU  19          HB1       LEU  19  11.320   0.788  -1.356
  147    HG   LEU  19           HG       LEU  19  13.003  -1.174  -2.872
  148   1HD1  LEU  19          HD11      LEU  19  11.794  -1.035  -4.824
  149   2HD1  LEU  19          HD12      LEU  19  11.117   0.541  -4.416
  150   3HD1  LEU  19          HD13      LEU  19  10.454  -0.919  -3.683
  151   1HD2  LEU  19          HD21      LEU  19  13.633   0.957  -4.043
  152   2HD2  LEU  19          HD22      LEU  19  13.953   0.996  -2.310
  153   3HD2  LEU  19          HD23      LEU  19  12.540   1.824  -2.964
  154    H    GLY  20           HN       GLY  20  12.216   1.431   0.852
  155   1HA   GLY  20          HA2       GLY  20  14.838   2.531   0.174
  156   2HA   GLY  20          HA1       GLY  20  13.639   3.286   1.227
  157    H    LYS  21           HN       LYS  21  13.937   0.169   2.321
  158    HA   LYS  21           HA       LYS  21  16.142   0.918   4.216
  159   1HB   LYS  21          HB2       LYS  21  13.604   0.936   4.914
  160   2HB   LYS  21          HB1       LYS  21  13.799  -0.817   4.958
  161   1HG   LYS  21          HG2       LYS  21  15.930  -0.294   6.376
  162   2HG   LYS  21          HG1       LYS  21  15.168   1.275   6.632
  163   1HD   LYS  21          HD2       LYS  21  13.644   0.413   8.061
  164   2HD   LYS  21          HD1       LYS  21  13.298  -0.945   6.989
  165   1HE   LYS  21          HE2       LYS  21  14.699  -2.335   8.127
  166   2HE   LYS  21          HE1       LYS  21  15.956  -1.089   8.263
  167   1HZ   LYS  21          HZ1       LYS  21  14.198   0.019   9.814
  168   2HZ   LYS  21          HZ2       LYS  21  15.223  -1.192  10.420
  169   3HZ   LYS  21          HZ3       LYS  21  13.623  -1.567   9.987
  170   1HN   NH2  22          1HN       NH2  22  16.611  -0.658   1.833
  171   2HN   NH2  22          2HN       NH2  22  16.947  -2.254   2.307
  Start of MODEL   24
    1   1H    SER   1          1H        SER   1 -20.743  -2.734   1.171
    2   2H    SER   1          2H        SER   1 -20.379  -2.185   2.737
    3   3H    SER   1          3H        SER   1 -20.905  -3.781   2.495
    4    HA   SER   1           HA       SER   1 -18.554  -3.867   2.836
    5   1HB   SER   1          HB2       SER   1 -18.731  -4.066  -0.122
    6   2HB   SER   1          HB1       SER   1 -18.267  -5.289   1.058
    7    HG   SER   1           HG       SER   1 -20.511  -5.408   1.626
    8    H    GLY   2           HN       GLY   2 -16.678  -2.673   2.841
    9   1HA   GLY   2          HA2       GLY   2 -16.651  -0.073   1.491
   10   2HA   GLY   2          HA1       GLY   2 -15.389  -0.704   2.550
   11    H    SER   3           HN       SER   3 -13.796  -0.019   0.957
   12    HA   SER   3           HA       SER   3 -13.724  -1.765  -1.484
   13   1HB   SER   3          HB2       SER   3 -13.967   0.588  -2.013
   14   2HB   SER   3          HB1       SER   3 -12.672   1.020  -0.900
   15    HG   SER   3           HG       SER   3 -11.756   0.944  -2.897
   16    H    LEU   4           HN       LEU   4 -10.935  -0.883  -1.962
   17    HA   LEU   4           HA       LEU   4  -9.575  -2.468   0.195
   18   1HB   LEU   4          HB2       LEU   4  -9.188  -2.299  -2.806
   19   2HB   LEU   4          HB1       LEU   4  -8.021  -3.079  -1.736
   20    HG   LEU   4           HG       LEU   4 -10.514  -4.111  -0.963
   21   1HD1  LEU   4          HD11      LEU   4 -11.694  -3.484  -2.893
   22   2HD1  LEU   4          HD12      LEU   4 -11.135  -5.107  -3.296
   23   3HD1  LEU   4          HD13      LEU   4 -10.288  -3.700  -3.937
   24   1HD2  LEU   4          HD21      LEU   4  -9.423  -6.059  -2.549
   25   2HD2  LEU   4          HD22      LEU   4  -8.896  -5.717  -0.901
   26   3HD2  LEU   4          HD23      LEU   4  -8.023  -5.023  -2.268
   27    H    SER   5           HN       SER   5  -9.942   0.611  -0.832
   28    HA   SER   5           HA       SER   5  -7.521   1.810  -1.407
   29   1HB   SER   5          HB2       SER   5  -9.875   2.759  -0.859
   30   2HB   SER   5          HB1       SER   5  -9.311   2.816   0.809
   31    HG   SER   5           HG       SER   5  -7.375   3.879  -0.396
   32    H    THR   6           HN       THR   6  -8.638   1.220   1.956
   33    HA   THR   6           HA       THR   6  -6.305   1.923   3.331
   34    HB   THR   6           HB       THR   6  -7.687  -0.529   4.250
   35    HG1  THR   6           HG1      THR   6  -9.657   0.224   4.108
   36   1HG2  THR   6          HG21      THR   6  -8.166   1.748   5.878
   37   2HG2  THR   6          HG22      THR   6  -6.500   1.860   5.311
   38   3HG2  THR   6          HG23      THR   6  -7.041   0.423   6.178
   39    H    PHE   7           HN       PHE   7  -7.156  -1.451   2.448
   40    HA   PHE   7           HA       PHE   7  -4.758  -2.721   3.064
   41   1HB   PHE   7          HB2       PHE   7  -7.101  -3.385   1.882
   42   2HB   PHE   7          HB1       PHE   7  -6.042  -3.420   0.471
   43    HD1  PHE   7           HD1      PHE   7  -5.452  -4.295   4.070
   44    HD2  PHE   7           HD2      PHE   7  -5.509  -5.646  -0.007
   45    HE1  PHE   7           HE1      PHE   7  -4.563  -6.497   4.786
   46    HE2  PHE   7           HE2      PHE   7  -4.621  -7.847   0.709
   47    HZ   PHE   7           HZ       PHE   7  -4.148  -8.273   3.106
   48    H    PHE   8           HN       PHE   8  -5.545  -1.567  -0.244
   49    HA   PHE   8           HA       PHE   8  -3.046  -1.873  -1.441
   50   1HB   PHE   8          HB2       PHE   8  -5.449  -0.203  -1.760
   51   2HB   PHE   8          HB1       PHE   8  -4.000   0.502  -2.476
   52    HD1  PHE   8           HD1      PHE   8  -6.510  -2.108  -2.731
   53    HD2  PHE   8           HD2      PHE   8  -2.652  -0.839  -4.131
   54    HE1  PHE   8           HE1      PHE   8  -6.687  -3.679  -4.641
   55    HE2  PHE   8           HE2      PHE   8  -2.829  -2.411  -6.042
   56    HZ   PHE   8           HZ       PHE   8  -4.846  -3.831  -6.297
   57    H    ARG   9           HN       ARG   9  -4.196   1.059   0.279
   58    HA   ARG   9           HA       ARG   9  -1.892   2.648   0.076
   59   1HB   ARG   9          HB2       ARG   9  -4.276   2.404   1.729
   60   2HB   ARG   9          HB1       ARG   9  -2.913   3.019   2.663
   61   1HG   ARG   9          HG2       ARG   9  -2.613   4.483   0.408
   62   2HG   ARG   9          HG1       ARG   9  -4.363   4.265   0.392
   63   1HD   ARG   9          HD2       ARG   9  -4.635   5.731   2.102
   64   2HD   ARG   9          HD1       ARG   9  -3.377   4.930   3.066
   65    HE   ARG   9           HE       ARG   9  -1.912   6.619   2.327
   66   1HH1  ARG   9          HH21      ARG   9  -4.151   8.317   1.296
   67   2HH1  ARG   9          HH22      ARG   9  -3.714   8.524  -0.368
   68   1HH2  ARG   9          HH11      ARG   9  -1.446   5.902  -0.376
   69   2HH2  ARG   9          HH12      ARG   9  -2.183   7.157  -1.314
   70    H    LEU  10           HN       LEU  10  -2.669   0.338   2.712
   71    HA   LEU  10           HA       LEU  10  -0.238   0.596   4.154
   72   1HB   LEU  10          HB2       LEU  10  -2.597  -1.025   4.087
   73   2HB   LEU  10          HB1       LEU  10  -1.203  -2.094   4.250
   74    HG   LEU  10           HG       LEU  10  -2.033  -1.355   6.461
   75   1HD1  LEU  10          HD11      LEU  10   0.627  -1.160   5.459
   76   2HD1  LEU  10          HD12      LEU  10   0.115  -1.497   7.113
   77   3HD1  LEU  10          HD13      LEU  10   0.394   0.166   6.597
   78   1HD2  LEU  10          HD21      LEU  10  -2.817   0.904   5.485
   79   2HD2  LEU  10          HD22      LEU  10  -1.146   1.429   5.690
   80   3HD2  LEU  10          HD23      LEU  10  -2.093   0.933   7.094
   81    H    PHE  11           HN       PHE  11  -1.108  -1.657   1.517
   82    HA   PHE  11           HA       PHE  11   1.293  -3.168   1.454
   83   1HB   PHE  11          HB2       PHE  11  -0.834  -3.652   0.255
   84   2HB   PHE  11          HB1       PHE  11  -0.517  -2.290  -0.820
   85    HD1  PHE  11           HD1      PHE  11   0.495  -2.762  -2.860
   86    HD2  PHE  11           HD2      PHE  11   1.281  -5.311   0.508
   87    HE1  PHE  11           HE1      PHE  11   1.907  -4.217  -4.289
   88    HE2  PHE  11           HE2      PHE  11   2.693  -6.765  -0.921
   89    HZ   PHE  11           HZ       PHE  11   3.006  -6.218  -3.319
   90    H    ASN  12           HN       ASN  12   0.425  -0.330  -0.569
   91    HA   ASN  12           HA       ASN  12   2.936  -0.025  -1.855
   92   1HB   ASN  12          HB2       ASN  12   0.838   1.086  -2.506
   93   2HB   ASN  12          HB1       ASN  12   0.859   2.024  -1.012
   94   1HD2  ASN  12          HD21      ASN  12   2.805   1.442  -3.982
   95   2HD2  ASN  12          HD22      ASN  12   3.511   2.985  -4.002
   96    H    ARG  13           HN       ARG  13   1.712   1.577   1.111
   97    HA   ARG  13           HA       ARG  13   3.969   3.149   1.726
   98   1HB   ARG  13          HB2       ARG  13   1.655   3.014   2.811
   99   2HB   ARG  13          HB1       ARG  13   2.267   1.631   3.718
  100   1HG   ARG  13          HG2       ARG  13   3.461   2.948   5.115
  101   2HG   ARG  13          HG1       ARG  13   4.098   3.913   3.783
  102   1HD   ARG  13          HD2       ARG  13   1.584   4.836   3.733
  103   2HD   ARG  13          HD1       ARG  13   1.655   4.369   5.443
  104    HE   ARG  13           HE       ARG  13   3.582   5.854   5.717
  105   1HH1  ARG  13          HH11      ARG  13   1.414   7.523   4.330
  106   2HH1  ARG  13          HH12      ARG  13   2.353   8.334   3.122
  107   1HH2  ARG  13          HH21      ARG  13   5.075   6.209   3.429
  108   2HH2  ARG  13          HH22      ARG  13   4.425   7.590   2.612
  109    H    SER  14           HN       SER  14   3.253  -0.162   2.916
  110    HA   SER  14           HA       SER  14   5.702  -0.575   4.299
  111   1HB   SER  14          HB2       SER  14   3.421  -2.108   3.272
  112   2HB   SER  14          HB1       SER  14   4.908  -3.050   3.327
  113    HG   SER  14           HG       SER  14   5.110  -2.154   5.534
  114    H    PHE  15           HN       PHE  15   4.815  -1.284   0.911
  115    HA   PHE  15           HA       PHE  15   7.208  -2.585   0.112
  116   1HB   PHE  15          HB2       PHE  15   4.819  -1.497  -1.013
  117   2HB   PHE  15          HB1       PHE  15   6.176  -0.917  -1.978
  118    HD1  PHE  15           HD1      PHE  15   7.513  -2.422  -3.304
  119    HD2  PHE  15           HD2      PHE  15   4.447  -3.936  -0.704
  120    HE1  PHE  15           HE1      PHE  15   7.709  -4.651  -4.372
  121    HE2  PHE  15           HE2      PHE  15   4.643  -6.166  -1.772
  122    HZ   PHE  15           HZ       PHE  15   6.274  -6.523  -3.606
  123    H    THR  16           HN       THR  16   6.350   0.889  -0.173
  124    HA   THR  16           HA       THR  16   8.878   1.755  -1.188
  125    HB   THR  16           HB       THR  16   7.961   3.960  -0.057
  126    HG1  THR  16           HG1      THR  16   6.454   3.289   1.297
  127   1HG2  THR  16          HG21      THR  16   7.044   4.367  -2.089
  128   2HG2  THR  16          HG22      THR  16   5.944   2.994  -1.966
  129   3HG2  THR  16          HG23      THR  16   7.607   2.746  -2.499
  130    H    GLN  17           HN       GLN  17   7.617   1.594   2.154
  131    HA   GLN  17           HA       GLN  17   9.880   2.748   3.458
  132   1HB   GLN  17          HB2       GLN  17   7.781   2.478   4.591
  133   2HB   GLN  17          HB1       GLN  17   7.756   0.744   4.263
  134   1HG   GLN  17          HG2       GLN  17  10.198   1.442   5.633
  135   2HG   GLN  17          HG1       GLN  17   8.810   2.037   6.546
  136   1HE2  GLN  17          HE21      GLN  17   7.424   0.482   7.548
  137   2HE2  GLN  17          HE22      GLN  17   7.723  -1.188   7.502
  138    H    ALA  18           HN       ALA  18   9.070  -0.692   2.851
  139    HA   ALA  18           HA       ALA  18  11.444  -1.793   4.007
  140   1HB   ALA  18          HB1       ALA  18  10.732  -3.798   2.823
  141   2HB   ALA  18          HB2       ALA  18   9.762  -2.837   1.706
  142   3HB   ALA  18          HB3       ALA  18   9.294  -2.958   3.403
  143    H    LEU  19           HN       LEU  19  10.670  -0.914   0.624
  144    HA   LEU  19           HA       LEU  19  13.122  -1.745  -0.558
  145   1HB   LEU  19          HB2       LEU  19  10.771  -0.757  -1.417
  146   2HB   LEU  19          HB1       LEU  19  11.733   0.719  -1.512
  147    HG   LEU  19           HG       LEU  19  13.318  -1.395  -2.573
  148   1HD1  LEU  19          HD11      LEU  19  11.669  -2.812  -3.284
  149   2HD1  LEU  19          HD12      LEU  19  11.523  -1.638  -4.592
  150   3HD1  LEU  19          HD13      LEU  19  10.426  -1.563  -3.214
  151   1HD2  LEU  19          HD21      LEU  19  13.489   0.057  -4.418
  152   2HD2  LEU  19          HD22      LEU  19  13.106   1.155  -3.092
  153   3HD2  LEU  19          HD23      LEU  19  11.841   0.655  -4.216
  154    H    GLY  20           HN       GLY  20  12.186   1.389   0.883
  155   1HA   GLY  20          HA2       GLY  20  13.956   2.577   2.190
  156   2HA   GLY  20          HA1       GLY  20  15.094   2.101   0.928
  157    H    LYS  21           HN       LYS  21  12.267   2.809  -0.656
  158    HA   LYS  21           HA       LYS  21  11.754   4.613  -2.105
  159   1HB   LYS  21          HB2       LYS  21  10.959   5.229   0.224
  160   2HB   LYS  21          HB1       LYS  21  12.447   6.158   0.409
  161   1HG   LYS  21          HG2       LYS  21  11.713   7.226  -1.888
  162   2HG   LYS  21          HG1       LYS  21  10.111   6.670  -1.401
  163   1HD   LYS  21          HD2       LYS  21  11.432   7.920   0.840
  164   2HD   LYS  21          HD1       LYS  21  11.439   9.013  -0.544
  165   1HE   LYS  21          HE2       LYS  21   9.367   9.413   0.628
  166   2HE   LYS  21          HE1       LYS  21   8.942   8.459  -0.807
  167   1HZ   LYS  21          HZ1       LYS  21   9.438   6.463   0.714
  168   2HZ   LYS  21          HZ2       LYS  21   7.955   7.272   0.904
  169   3HZ   LYS  21          HZ3       LYS  21   9.231   7.561   1.990
  170   1HN   NH2  22          1HN       NH2  22  13.717   4.434  -3.502
  171   2HN   NH2  22          2HN       NH2  22  14.984   5.553  -3.352
  Start of MODEL   25
    1   1H    SER   1          1H        SER   1 -13.488   5.704   0.838
    2   2H    SER   1          2H        SER   1 -12.435   4.478   0.313
    3   3H    SER   1          3H        SER   1 -14.070   4.128   0.614
    4    HA   SER   1           HA       SER   1 -14.780   4.982  -1.357
    5   1HB   SER   1          HB2       SER   1 -14.212   7.234  -0.830
    6   2HB   SER   1          HB1       SER   1 -12.487   6.882  -0.833
    7    HG   SER   1           HG       SER   1 -14.142   6.595  -3.117
    8    H    GLY   2           HN       GLY   2 -13.756   2.653  -1.596
    9   1HA   GLY   2          HA2       GLY   2 -12.596   2.307  -4.072
   10   2HA   GLY   2          HA1       GLY   2 -11.205   2.522  -3.008
   11    H    SER   3           HN       SER   3 -11.831   0.088  -4.420
   12    HA   SER   3           HA       SER   3 -13.184  -1.886  -2.915
   13   1HB   SER   3          HB2       SER   3 -12.316  -2.127  -5.217
   14   2HB   SER   3          HB1       SER   3 -10.667  -2.075  -4.604
   15    HG   SER   3           HG       SER   3 -11.105  -4.196  -4.703
   16    H    LEU   4           HN       LEU   4  -9.616  -1.568  -3.012
   17    HA   LEU   4           HA       LEU   4  -9.569  -2.443  -0.141
   18   1HB   LEU   4          HB2       LEU   4  -7.468  -2.791  -2.302
   19   2HB   LEU   4          HB1       LEU   4  -7.486  -3.556  -0.713
   20    HG   LEU   4           HG       LEU   4  -9.959  -4.021  -2.203
   21   1HD1  LEU   4          HD11      LEU   4  -9.144  -4.683  -4.192
   22   2HD1  LEU   4          HD12      LEU   4  -8.034  -5.792  -3.387
   23   3HD1  LEU   4          HD13      LEU   4  -7.543  -4.129  -3.704
   24   1HD2  LEU   4          HD21      LEU   4  -8.065  -5.389  -0.422
   25   2HD2  LEU   4          HD22      LEU   4  -8.725  -6.441  -1.675
   26   3HD2  LEU   4          HD23      LEU   4  -9.810  -5.593  -0.573
   27    H    SER   5           HN       SER   5  -9.843   0.318  -0.791
   28    HA   SER   5           HA       SER   5  -7.635   1.933  -1.150
   29   1HB   SER   5          HB2       SER   5  -8.913   3.127   0.974
   30   2HB   SER   5          HB1       SER   5  -9.468   3.208  -0.695
   31    HG   SER   5           HG       SER   5 -10.513   1.879   1.453
   32    H    THR   6           HN       THR   6  -8.651   1.251   2.204
   33    HA   THR   6           HA       THR   6  -6.321   1.890   3.546
   34    HB   THR   6           HB       THR   6  -7.178  -0.327   4.903
   35    HG1  THR   6           HG1      THR   6  -9.377  -0.528   4.464
   36   1HG2  THR   6          HG21      THR   6  -9.052   1.403   5.697
   37   2HG2  THR   6          HG22      THR   6  -8.075   2.514   4.735
   38   3HG2  THR   6          HG23      THR   6  -7.348   1.643   6.086
   39    H    PHE   7           HN       PHE   7  -7.082  -1.445   2.448
   40    HA   PHE   7           HA       PHE   7  -4.629  -2.670   3.024
   41   1HB   PHE   7          HB2       PHE   7  -6.937  -3.447   1.954
   42   2HB   PHE   7          HB1       PHE   7  -6.044  -3.254   0.446
   43    HD1  PHE   7           HD1      PHE   7  -3.861  -4.493   0.134
   44    HD2  PHE   7           HD2      PHE   7  -6.530  -5.291   3.405
   45    HE1  PHE   7           HE1      PHE   7  -2.734  -6.668   0.523
   46    HE2  PHE   7           HE2      PHE   7  -5.403  -7.466   3.793
   47    HZ   PHE   7           HZ       PHE   7  -3.505  -8.154   2.353
   48    H    PHE   8           HN       PHE   8  -5.522  -1.420  -0.223
   49    HA   PHE   8           HA       PHE   8  -3.084  -1.613  -1.524
   50   1HB   PHE   8          HB2       PHE   8  -5.542  -0.152  -1.737
   51   2HB   PHE   8          HB1       PHE   8  -4.213   0.940  -2.131
   52    HD1  PHE   8           HD1      PHE   8  -2.224  -0.572  -3.450
   53    HD2  PHE   8           HD2      PHE   8  -6.484  -1.081  -3.653
   54    HE1  PHE   8           HE1      PHE   8  -1.988  -1.657  -5.667
   55    HE2  PHE   8           HE2      PHE   8  -6.248  -2.166  -5.870
   56    HZ   PHE   8           HZ       PHE   8  -4.000  -2.455  -6.877
   57    H    ARG   9           HN       ARG   9  -4.134   1.260   0.359
   58    HA   ARG   9           HA       ARG   9  -1.765   2.765   0.204
   59   1HB   ARG   9          HB2       ARG   9  -3.999   3.401   1.175
   60   2HB   ARG   9          HB1       ARG   9  -3.599   2.442   2.600
   61   1HG   ARG   9          HG2       ARG   9  -2.521   4.230   3.440
   62   2HG   ARG   9          HG1       ARG   9  -1.360   4.099   2.117
   63   1HD   ARG   9          HD2       ARG   9  -2.178   6.288   1.831
   64   2HD   ARG   9          HD1       ARG   9  -3.237   5.367   0.745
   65    HE   ARG   9           HE       ARG   9  -4.064   6.630   3.223
   66   1HH1  ARG   9          HH11      ARG   9  -5.659   5.826   0.678
   67   2HH1  ARG   9          HH12      ARG   9  -6.782   4.702   1.368
   68   1HH2  ARG   9          HH21      ARG   9  -5.017   4.354   4.333
   69   2HH2  ARG   9          HH22      ARG   9  -6.419   3.869   3.438
   70    H    LEU  10           HN       LEU  10  -2.668   0.556   2.889
   71    HA   LEU  10           HA       LEU  10  -0.269   0.630   4.340
   72   1HB   LEU  10          HB2       LEU  10  -2.637  -1.002   4.079
   73   2HB   LEU  10          HB1       LEU  10  -1.233  -2.035   4.353
   74    HG   LEU  10           HG       LEU  10  -0.610  -0.678   6.314
   75   1HD1  LEU  10          HD11      LEU  10  -2.018   1.324   5.169
   76   2HD1  LEU  10          HD12      LEU  10  -1.656   1.279   6.895
   77   3HD1  LEU  10          HD13      LEU  10  -3.227   0.732   6.309
   78   1HD2  LEU  10          HD21      LEU  10  -2.536  -1.310   7.760
   79   2HD2  LEU  10          HD22      LEU  10  -2.084  -2.610   6.657
   80   3HD2  LEU  10          HD23      LEU  10  -3.498  -1.614   6.313
   81    H    PHE  11           HN       PHE  11  -1.116  -1.633   1.690
   82    HA   PHE  11           HA       PHE  11   1.352  -3.049   1.619
   83   1HB   PHE  11          HB2       PHE  11  -1.100  -2.883   0.207
   84   2HB   PHE  11          HB1       PHE  11   0.176  -2.703  -0.997
   85    HD1  PHE  11           HD1      PHE  11   0.728  -4.715  -2.022
   86    HD2  PHE  11           HD2      PHE  11  -0.230  -4.694   2.166
   87    HE1  PHE  11           HE1      PHE  11   1.183  -7.150  -1.905
   88    HE2  PHE  11           HE2      PHE  11   0.225  -7.129   2.283
   89    HZ   PHE  11           HZ       PHE  11   0.932  -8.357   0.246
   90    H    ASN  12           HN       ASN  12   0.301  -0.169  -0.232
   91    HA   ASN  12           HA       ASN  12   2.640   0.183  -1.798
   92   1HB   ASN  12          HB2       ASN  12   0.568   1.384  -2.190
   93   2HB   ASN  12          HB1       ASN  12   0.652   2.134  -0.596
   94   1HD2  ASN  12          HD21      ASN  12   0.523   4.152  -2.155
   95   2HD2  ASN  12          HD22      ASN  12   2.010   4.781  -2.676
   96    H    ARG  13           HN       ARG  13   1.815   1.754   1.323
   97    HA   ARG  13           HA       ARG  13   4.276   3.115   1.705
   98   1HB   ARG  13          HB2       ARG  13   1.860   2.816   2.993
   99   2HB   ARG  13          HB1       ARG  13   2.968   2.014   4.108
  100   1HG   ARG  13          HG2       ARG  13   4.343   3.977   4.282
  101   2HG   ARG  13          HG1       ARG  13   3.489   4.765   2.957
  102   1HD   ARG  13          HD2       ARG  13   1.995   5.621   4.425
  103   2HD   ARG  13          HD1       ARG  13   1.570   3.983   4.959
  104    HE   ARG  13           HE       ARG  13   3.926   5.477   6.054
  105   1HH1  ARG  13          HH21      ARG  13   2.939   2.434   6.333
  106   2HH1  ARG  13          HH22      ARG  13   2.445   2.483   7.993
  107   1HH2  ARG  13          HH11      ARG  13   2.561   5.943   8.199
  108   2HH2  ARG  13          HH12      ARG  13   2.232   4.470   9.049
  109    H    SER  14           HN       SER  14   3.263  -0.112   2.892
  110    HA   SER  14           HA       SER  14   5.646  -0.799   4.266
  111   1HB   SER  14          HB2       SER  14   4.791  -3.082   4.006
  112   2HB   SER  14          HB1       SER  14   3.446  -1.984   4.301
  113    HG   SER  14           HG       SER  14   4.159  -3.394   2.016
  114    H    PHE  15           HN       PHE  15   4.757  -1.315   0.841
  115    HA   PHE  15           HA       PHE  15   7.145  -2.711   0.083
  116   1HB   PHE  15          HB2       PHE  15   4.778  -2.208  -1.050
  117   2HB   PHE  15          HB1       PHE  15   5.689  -0.898  -1.801
  118    HD1  PHE  15           HD1      PHE  15   4.478  -3.443  -3.142
  119    HD2  PHE  15           HD2      PHE  15   8.396  -2.460  -1.681
  120    HE1  PHE  15           HE1      PHE  15   5.479  -5.053  -4.742
  121    HE2  PHE  15           HE2      PHE  15   9.397  -4.069  -3.281
  122    HZ   PHE  15           HZ       PHE  15   7.938  -5.365  -4.813
  123    H    THR  16           HN       THR  16   6.248   0.740  -0.332
  124    HA   THR  16           HA       THR  16   8.772   1.584  -1.387
  125    HB   THR  16           HB       THR  16   6.552   2.984   0.132
  126    HG1  THR  16           HG1      THR  16   6.291   1.980  -2.040
  127   1HG2  THR  16          HG21      THR  16   7.684   4.934   0.041
  128   2HG2  THR  16          HG22      THR  16   8.206   4.635  -1.617
  129   3HG2  THR  16          HG23      THR  16   9.122   3.961  -0.269
  130    H    GLN  17           HN       GLN  17   7.477   1.668   1.951
  131    HA   GLN  17           HA       GLN  17   9.773   2.855   3.177
  132   1HB   GLN  17          HB2       GLN  17   7.472   1.116   4.052
  133   2HB   GLN  17          HB1       GLN  17   8.722   1.581   5.207
  134   1HG   GLN  17          HG2       GLN  17   7.971   3.908   3.718
  135   2HG   GLN  17          HG1       GLN  17   6.502   3.130   4.311
  136   1HE2  GLN  17          HE21      GLN  17   7.407   2.043   6.752
  137   2HE2  GLN  17          HE22      GLN  17   7.875   3.303   7.790
  138    H    ALA  18           HN       ALA  18   8.855  -0.577   2.742
  139    HA   ALA  18           HA       ALA  18  11.122  -1.705   4.079
  140   1HB   ALA  18          HB1       ALA  18   9.100  -2.958   3.577
  141   2HB   ALA  18          HB2       ALA  18  10.442  -3.721   2.723
  142   3HB   ALA  18          HB3       ALA  18   9.315  -2.686   1.847
  143    H    LEU  19           HN       LEU  19  10.541  -1.024   0.610
  144    HA   LEU  19           HA       LEU  19  12.989  -1.998  -0.425
  145   1HB   LEU  19          HB2       LEU  19  10.789  -0.997  -1.482
  146   2HB   LEU  19          HB1       LEU  19  11.693   0.519  -1.438
  147    HG   LEU  19           HG       LEU  19  13.600  -0.823  -2.566
  148   1HD1  LEU  19          HD11      LEU  19  11.892  -2.932  -2.129
  149   2HD1  LEU  19          HD12      LEU  19  13.198  -2.931  -3.315
  150   3HD1  LEU  19          HD13      LEU  19  11.552  -2.535  -3.814
  151   1HD2  LEU  19          HD21      LEU  19  12.747   0.706  -4.044
  152   2HD2  LEU  19          HD22      LEU  19  11.078   0.243  -3.714
  153   3HD2  LEU  19          HD23      LEU  19  12.064  -0.734  -4.802
  154    H    GLY  20           HN       GLY  20  12.232   1.089   1.147
  155   1HA   GLY  20          HA2       GLY  20  14.876   2.213   0.563
  156   2HA   GLY  20          HA1       GLY  20  13.635   2.954   1.577
  157    H    LYS  21           HN       LYS  21  13.883  -0.180   2.635
  158    HA   LYS  21           HA       LYS  21  16.308  -0.256   4.128
  159   1HB   LYS  21          HB2       LYS  21  14.266   1.616   5.015
  160   2HB   LYS  21          HB1       LYS  21  14.620   0.428   6.270
  161   1HG   LYS  21          HG2       LYS  21  17.039   1.397   4.942
  162   2HG   LYS  21          HG1       LYS  21  16.128   2.695   5.716
  163   1HD   LYS  21          HD2       LYS  21  16.954   2.039   7.702
  164   2HD   LYS  21          HD1       LYS  21  16.096   0.508   7.518
  165   1HE   LYS  21          HE2       LYS  21  18.093  -0.249   6.070
  166   2HE   LYS  21          HE1       LYS  21  18.948   1.153   6.743
  167   1HZ   LYS  21          HZ1       LYS  21  18.905  -1.147   8.004
  168   2HZ   LYS  21          HZ2       LYS  21  17.428  -0.539   8.583
  169   3HZ   LYS  21          HZ3       LYS  21  18.866   0.325   8.847
  170   1HN   NH2  22          1HN       NH2  22  12.990  -0.679   5.455
  171   2HN   NH2  22          2HN       NH2  22  13.071  -2.371   5.562
  Start of MODEL   26
    1   1H    SER   1          1H        SER   1 -18.320  -2.310  -2.570
    2   2H    SER   1          2H        SER   1 -18.197  -0.647  -2.242
    3   3H    SER   1          3H        SER   1 -19.649  -1.293  -2.844
    4    HA   SER   1           HA       SER   1 -19.579  -0.781  -0.363
    5   1HB   SER   1          HB2       SER   1 -20.263  -3.508  -1.504
    6   2HB   SER   1          HB1       SER   1 -20.907  -2.864   0.004
    7    HG   SER   1           HG       SER   1 -22.267  -2.518  -1.855
    8    H    GLY   2           HN       GLY   2 -17.175  -0.741   0.194
    9   1HA   GLY   2          HA2       GLY   2 -16.504  -2.615   2.166
   10   2HA   GLY   2          HA1       GLY   2 -15.760  -3.207   0.679
   11    H    SER   3           HN       SER   3 -13.629  -2.794   1.485
   12    HA   SER   3           HA       SER   3 -12.823   0.060   1.243
   13   1HB   SER   3          HB2       SER   3 -13.318  -0.365   3.622
   14   2HB   SER   3          HB1       SER   3 -12.237  -1.755   3.607
   15    HG   SER   3           HG       SER   3 -11.543   0.603   4.234
   16    H    LEU   4           HN       LEU   4 -11.424  -0.231  -0.487
   17    HA   LEU   4           HA       LEU   4  -9.476  -2.498  -0.364
   18   1HB   LEU   4          HB2       LEU   4 -11.039  -1.124  -2.412
   19   2HB   LEU   4          HB1       LEU   4  -9.334  -1.232  -2.853
   20    HG   LEU   4           HG       LEU   4  -9.339  -3.631  -2.555
   21   1HD1  LEU   4          HD11      LEU   4 -10.734  -4.567  -1.059
   22   2HD1  LEU   4          HD12      LEU   4 -12.094  -4.203  -2.120
   23   3HD1  LEU   4          HD13      LEU   4 -11.600  -3.040  -0.890
   24   1HD2  LEU   4          HD21      LEU   4 -10.235  -3.861  -4.611
   25   2HD2  LEU   4          HD22      LEU   4 -10.959  -2.262  -4.442
   26   3HD2  LEU   4          HD23      LEU   4 -11.861  -3.695  -3.950
   27    H    SER   5           HN       SER   5  -9.756   1.015  -0.542
   28    HA   SER   5           HA       SER   5  -7.143   1.772  -1.248
   29   1HB   SER   5          HB2       SER   5  -9.488   2.912  -0.189
   30   2HB   SER   5          HB1       SER   5  -8.214   3.348   0.945
   31    HG   SER   5           HG       SER   5  -7.008   3.901  -1.080
   32    H    THR   6           HN       THR   6  -8.370   1.293   2.093
   33    HA   THR   6           HA       THR   6  -6.075   1.642   3.586
   34    HB   THR   6           HB       THR   6  -7.073  -0.097   5.088
   35    HG1  THR   6           HG1      THR   6  -8.289  -1.562   4.238
   36   1HG2  THR   6          HG21      THR   6  -8.536   1.497   5.690
   37   2HG2  THR   6          HG22      THR   6  -9.551   1.139   4.292
   38   3HG2  THR   6          HG23      THR   6  -8.235   2.304   4.151
   39    H    PHE   7           HN       PHE   7  -7.031  -1.567   2.285
   40    HA   PHE   7           HA       PHE   7  -4.619  -2.924   2.856
   41   1HB   PHE   7          HB2       PHE   7  -7.066  -3.410   1.627
   42   2HB   PHE   7          HB1       PHE   7  -5.901  -3.674   0.330
   43    HD1  PHE   7           HD1      PHE   7  -3.713  -5.021   1.094
   44    HD2  PHE   7           HD2      PHE   7  -7.540  -5.203   3.037
   45    HE1  PHE   7           HE1      PHE   7  -3.108  -7.214   2.081
   46    HE2  PHE   7           HE2      PHE   7  -6.935  -7.397   4.023
   47    HZ   PHE   7           HZ       PHE   7  -4.719  -8.402   3.545
   48    H    PHE   8           HN       PHE   8  -5.565  -1.215  -0.148
   49    HA   PHE   8           HA       PHE   8  -3.172  -1.702  -1.614
   50   1HB   PHE   8          HB2       PHE   8  -5.490   0.142  -1.644
   51   2HB   PHE   8          HB1       PHE   8  -4.063   0.723  -2.502
   52    HD1  PHE   8           HD1      PHE   8  -7.020  -0.814  -3.120
   53    HD2  PHE   8           HD2      PHE   8  -2.825  -1.532  -3.696
   54    HE1  PHE   8           HE1      PHE   8  -7.539  -2.327  -5.016
   55    HE2  PHE   8           HE2      PHE   8  -3.344  -3.046  -5.590
   56    HZ   PHE   8           HZ       PHE   8  -5.701  -3.443  -6.250
   57    H    ARG   9           HN       ARG   9  -4.050   1.464  -0.190
   58    HA   ARG   9           HA       ARG   9  -1.563   2.699  -0.266
   59   1HB   ARG   9          HB2       ARG   9  -2.456   4.128   1.449
   60   2HB   ARG   9          HB1       ARG   9  -3.838   3.558   0.512
   61   1HG   ARG   9          HG2       ARG   9  -4.297   1.827   2.177
   62   2HG   ARG   9          HG1       ARG   9  -2.871   2.306   3.099
   63   1HD   ARG   9          HD2       ARG   9  -5.178   4.188   2.495
   64   2HD   ARG   9          HD1       ARG   9  -5.011   3.280   4.011
   65    HE   ARG   9           HE       ARG   9  -2.634   4.820   3.201
   66   1HH1  ARG   9          HH21      ARG   9  -5.673   5.702   4.254
   67   2HH1  ARG   9          HH22      ARG   9  -5.151   6.446   5.729
   68   1HH2  ARG   9          HH11      ARG   9  -1.883   5.321   5.449
   69   2HH2  ARG   9          HH12      ARG   9  -3.004   6.230   6.405
   70    H    LEU  10           HN       LEU  10  -2.728   0.348   2.132
   71    HA   LEU  10           HA       LEU  10  -0.549   0.571   3.979
   72   1HB   LEU  10          HB2       LEU  10  -2.805  -0.543   4.272
   73   2HB   LEU  10          HB1       LEU  10  -2.204  -1.873   3.279
   74    HG   LEU  10           HG       LEU  10  -0.189  -1.451   5.173
   75   1HD1  LEU  10          HD11      LEU  10  -2.516  -0.302   6.205
   76   2HD1  LEU  10          HD12      LEU  10  -1.102  -0.801   7.132
   77   3HD1  LEU  10          HD13      LEU  10  -2.464  -1.904   6.939
   78   1HD2  LEU  10          HD21      LEU  10  -1.578  -3.542   4.143
   79   2HD2  LEU  10          HD22      LEU  10  -2.263  -3.493   5.767
   80   3HD2  LEU  10          HD23      LEU  10  -0.524  -3.687   5.550
   81    H    PHE  11           HN       PHE  11  -1.121  -1.924   1.460
   82    HA   PHE  11           HA       PHE  11   1.392  -3.216   1.653
   83   1HB   PHE  11          HB2       PHE  11  -0.736  -3.878   0.410
   84   2HB   PHE  11          HB1       PHE  11  -0.232  -2.770  -0.867
   85    HD1  PHE  11           HD1      PHE  11   2.296  -3.062  -1.651
   86    HD2  PHE  11           HD2      PHE  11  -0.047  -6.102   0.278
   87    HE1  PHE  11           HE1      PHE  11   3.799  -4.806  -2.574
   88    HE2  PHE  11           HE2      PHE  11   1.456  -7.846  -0.645
   89    HZ   PHE  11           HZ       PHE  11   3.379  -7.198  -2.071
   90    H    ASN  12           HN       ASN  12   0.389  -0.547  -0.518
   91    HA   ASN  12           HA       ASN  12   2.846  -0.217  -1.899
   92   1HB   ASN  12          HB2       ASN  12   0.440   0.827  -2.134
   93   2HB   ASN  12          HB1       ASN  12   1.092   2.091  -1.090
   94   1HD2  ASN  12          HD21      ASN  12   0.521   3.133  -3.462
   95   2HD2  ASN  12          HD22      ASN  12   1.874   3.272  -4.477
   96    H    ARG  13           HN       ARG  13   1.662   1.606   0.961
   97    HA   ARG  13           HA       ARG  13   3.978   3.135   1.457
   98   1HB   ARG  13          HB2       ARG  13   1.888   1.895   3.270
   99   2HB   ARG  13          HB1       ARG  13   3.070   3.078   3.837
  100   1HG   ARG  13          HG2       ARG  13   1.773   3.949   1.377
  101   2HG   ARG  13          HG1       ARG  13   0.602   3.652   2.662
  102   1HD   ARG  13          HD2       ARG  13   2.390   4.992   4.125
  103   2HD   ARG  13          HD1       ARG  13   2.799   5.681   2.542
  104    HE   ARG  13           HE       ARG  13   0.008   5.674   3.636
  105   1HH1  ARG  13          HH21      ARG  13   2.686   7.539   2.781
  106   2HH1  ARG  13          HH22      ARG  13   1.787   8.729   1.899
  107   1HH2  ARG  13          HH11      ARG  13  -1.206   6.989   2.085
  108   2HH2  ARG  13          HH12      ARG  13  -0.417   8.417   1.505
  109    H    SER  14           HN       SER  14   3.123  -0.058   2.854
  110    HA   SER  14           HA       SER  14   5.480  -0.467   4.370
  111   1HB   SER  14          HB2       SER  14   3.715  -2.425   2.865
  112   2HB   SER  14          HB1       SER  14   4.824  -2.861   4.162
  113    HG   SER  14           HG       SER  14   2.412  -2.271   4.537
  114    H    PHE  15           HN       PHE  15   4.792  -1.282   0.959
  115    HA   PHE  15           HA       PHE  15   7.258  -2.604   0.388
  116   1HB   PHE  15          HB2       PHE  15   4.893  -1.976  -0.892
  117   2HB   PHE  15          HB1       PHE  15   6.065  -0.985  -1.763
  118    HD1  PHE  15           HD1      PHE  15   5.467  -4.469  -0.540
  119    HD2  PHE  15           HD2      PHE  15   7.484  -1.950  -3.375
  120    HE1  PHE  15           HE1      PHE  15   6.265  -6.477  -1.756
  121    HE2  PHE  15           HE2      PHE  15   8.281  -3.958  -4.592
  122    HZ   PHE  15           HZ       PHE  15   7.672  -6.222  -3.783
  123    H    THR  16           HN       THR  16   6.296   0.812  -0.132
  124    HA   THR  16           HA       THR  16   8.785   1.732  -1.166
  125    HB   THR  16           HB       THR  16   7.879   3.944  -0.483
  126    HG1  THR  16           HG1      THR  16   6.238   2.260   1.056
  127   1HG2  THR  16          HG21      THR  16   6.882   2.311  -2.358
  128   2HG2  THR  16          HG22      THR  16   6.173   3.890  -2.023
  129   3HG2  THR  16          HG23      THR  16   5.453   2.435  -1.331
  130    H    GLN  17           HN       GLN  17   7.574   1.601   2.195
  131    HA   GLN  17           HA       GLN  17   9.829   2.853   3.433
  132   1HB   GLN  17          HB2       GLN  17   7.848   0.765   4.402
  133   2HB   GLN  17          HB1       GLN  17   8.903   1.707   5.458
  134   1HG   GLN  17          HG2       GLN  17   6.963   2.975   3.511
  135   2HG   GLN  17          HG1       GLN  17   6.554   2.632   5.192
  136   1HE2  GLN  17          HE21      GLN  17   6.472   5.288   4.564
  137   2HE2  GLN  17          HE22      GLN  17   7.833   6.108   5.160
  138    H    ALA  18           HN       ALA  18   9.049  -0.636   3.095
  139    HA   ALA  18           HA       ALA  18  11.559  -1.565   4.148
  140   1HB   ALA  18          HB1       ALA  18   9.105  -2.601   3.399
  141   2HB   ALA  18          HB2       ALA  18  10.501  -3.562   3.888
  142   3HB   ALA  18          HB3       ALA  18  10.190  -3.266   2.178
  143    H    LEU  19           HN       LEU  19  10.370  -1.289   0.774
  144    HA   LEU  19           HA       LEU  19  12.668  -2.187  -0.581
  145   1HB   LEU  19          HB2       LEU  19  10.529  -1.711  -1.649
  146   2HB   LEU  19          HB1       LEU  19  10.669  -0.001  -1.242
  147    HG   LEU  19           HG       LEU  19  12.972  -1.111  -2.722
  148   1HD1  LEU  19          HD11      LEU  19  11.894  -1.889  -4.541
  149   2HD1  LEU  19          HD12      LEU  19  10.876  -0.451  -4.613
  150   3HD1  LEU  19          HD13      LEU  19  10.397  -1.820  -3.609
  151   1HD2  LEU  19          HD21      LEU  19  12.527   1.045  -4.010
  152   2HD2  LEU  19          HD22      LEU  19  12.875   1.249  -2.293
  153   3HD2  LEU  19          HD23      LEU  19  11.213   1.351  -2.874
  154    H    GLY  20           HN       GLY  20  12.152   0.794   1.165
  155   1HA   GLY  20          HA2       GLY  20  14.705   1.890   0.065
  156   2HA   GLY  20          HA1       GLY  20  13.453   2.862   0.845
  157    H    LYS  21           HN       LYS  21  13.645   0.070   2.627
  158    HA   LYS  21           HA       LYS  21  14.550   1.141   5.010
  159   1HB   LYS  21          HB2       LYS  21  13.736  -1.263   4.184
  160   2HB   LYS  21          HB1       LYS  21  15.466  -1.603   4.244
  161   1HG   LYS  21          HG2       LYS  21  15.507  -0.737   6.592
  162   2HG   LYS  21          HG1       LYS  21  13.754  -0.562   6.519
  163   1HD   LYS  21          HD2       LYS  21  13.988  -2.678   7.488
  164   2HD   LYS  21          HD1       LYS  21  13.800  -3.077   5.780
  165   1HE   LYS  21          HE2       LYS  21  15.797  -4.139   5.859
  166   2HE   LYS  21          HE1       LYS  21  16.573  -2.582   6.213
  167   1HZ   LYS  21          HZ1       LYS  21  15.257  -4.339   8.217
  168   2HZ   LYS  21          HZ2       LYS  21  16.021  -2.856   8.539
  169   3HZ   LYS  21          HZ3       LYS  21  16.934  -4.187   8.006
  170   1HN   NH2  22          1HN       NH2  22  16.753   0.825   6.123
  171   2HN   NH2  22          2HN       NH2  22  18.158   1.007   5.190
  Start of MODEL   27
    1   1H    SER   1          1H        SER   1 -19.565   0.836  -4.447
    2   2H    SER   1          2H        SER   1 -19.098   0.807  -6.081
    3   3H    SER   1          3H        SER   1 -19.685   2.242  -5.387
    4    HA   SER   1           HA       SER   1 -17.101   1.808  -5.694
    5   1HB   SER   1          HB2       SER   1 -17.819   3.901  -4.972
    6   2HB   SER   1          HB1       SER   1 -18.818   3.227  -3.688
    7    HG   SER   1           HG       SER   1 -17.147   3.223  -2.395
    8    H    GLY   2           HN       GLY   2 -15.311   1.322  -4.164
    9   1HA   GLY   2          HA2       GLY   2 -16.073  -0.668  -2.067
   10   2HA   GLY   2          HA1       GLY   2 -14.756  -0.999  -3.193
   11    H    SER   3           HN       SER   3 -14.037  -1.071  -0.606
   12    HA   SER   3           HA       SER   3 -12.649   1.553  -0.159
   13   1HB   SER   3          HB2       SER   3 -13.614  -0.441   1.912
   14   2HB   SER   3          HB1       SER   3 -12.976   1.172   2.217
   15    HG   SER   3           HG       SER   3 -15.470   0.361   1.334
   16    H    LEU   4           HN       LEU   4 -11.253  -0.138  -1.709
   17    HA   LEU   4           HA       LEU   4  -9.650  -2.016  -0.095
   18   1HB   LEU   4          HB2       LEU   4 -10.306  -1.487  -2.862
   19   2HB   LEU   4          HB1       LEU   4  -8.557  -1.617  -2.673
   20    HG   LEU   4           HG       LEU   4  -9.641  -3.823  -3.112
   21   1HD1  LEU   4          HD11      LEU   4  -8.758  -4.804  -0.769
   22   2HD1  LEU   4          HD12      LEU   4  -8.079  -3.180  -0.657
   23   3HD1  LEU   4          HD13      LEU   4  -7.658  -4.222  -2.018
   24   1HD2  LEU   4          HD21      LEU   4 -11.324  -2.861  -0.908
   25   2HD2  LEU   4          HD22      LEU   4 -10.739  -4.505  -0.660
   26   3HD2  LEU   4          HD23      LEU   4 -11.657  -4.106  -2.111
   27    H    SER   5           HN       SER   5  -9.564   1.311  -0.863
   28    HA   SER   5           HA       SER   5  -6.915   2.012  -1.282
   29   1HB   SER   5          HB2       SER   5  -9.178   3.136   0.333
   30   2HB   SER   5          HB1       SER   5  -7.606   3.925   0.423
   31    HG   SER   5           HG       SER   5  -7.772   4.511  -1.624
   32    H    THR   6           HN       THR   6  -8.395   1.253   1.892
   33    HA   THR   6           HA       THR   6  -6.197   1.660   3.578
   34    HB   THR   6           HB       THR   6  -7.354  -0.511   4.683
   35    HG1  THR   6           HG1      THR   6  -9.327  -0.868   3.846
   36   1HG2  THR   6          HG21      THR   6  -8.345   2.315   4.389
   37   2HG2  THR   6          HG22      THR   6  -7.591   1.547   5.785
   38   3HG2  THR   6          HG23      THR   6  -9.251   1.145   5.348
   39    H    PHE   7           HN       PHE   7  -7.096  -1.589   2.353
   40    HA   PHE   7           HA       PHE   7  -4.679  -2.893   2.975
   41   1HB   PHE   7          HB2       PHE   7  -7.093  -3.495   1.815
   42   2HB   PHE   7          HB1       PHE   7  -5.992  -3.674   0.448
   43    HD1  PHE   7           HD1      PHE   7  -7.487  -5.447   3.012
   44    HD2  PHE   7           HD2      PHE   7  -3.621  -4.827   1.243
   45    HE1  PHE   7           HE1      PHE   7  -6.728  -7.631   3.906
   46    HE2  PHE   7           HE2      PHE   7  -2.863  -7.011   2.139
   47    HZ   PHE   7           HZ       PHE   7  -4.415  -8.414   3.470
   48    H    PHE   8           HN       PHE   8  -5.610  -1.535  -0.216
   49    HA   PHE   8           HA       PHE   8  -3.195  -1.959  -1.588
   50   1HB   PHE   8          HB2       PHE   8  -5.596  -0.831  -2.110
   51   2HB   PHE   8          HB1       PHE   8  -4.616   0.630  -1.977
   52    HD1  PHE   8           HD1      PHE   8  -4.167   1.391  -4.146
   53    HD2  PHE   8           HD2      PHE   8  -3.795  -2.795  -3.256
   54    HE1  PHE   8           HE1      PHE   8  -3.255   0.988  -6.417
   55    HE2  PHE   8           HE2      PHE   8  -2.883  -3.197  -5.527
   56    HZ   PHE   8           HZ       PHE   8  -2.613  -1.305  -7.108
   57    H    ARG   9           HN       ARG   9  -4.137   1.069   0.101
   58    HA   ARG   9           HA       ARG   9  -1.680   2.433  -0.139
   59   1HB   ARG   9          HB2       ARG   9  -3.755   3.446   0.647
   60   2HB   ARG   9          HB1       ARG   9  -3.763   2.401   2.068
   61   1HG   ARG   9          HG2       ARG   9  -2.498   3.894   3.174
   62   2HG   ARG   9          HG1       ARG   9  -1.227   3.710   1.964
   63   1HD   ARG   9          HD2       ARG   9  -3.194   5.301   0.720
   64   2HD   ARG   9          HD1       ARG   9  -3.022   5.950   2.364
   65    HE   ARG   9           HE       ARG   9  -0.574   6.105   1.950
   66   1HH1  ARG   9          HH21      ARG   9  -1.748   7.969  -0.020
   67   2HH1  ARG   9          HH22      ARG   9  -1.029   7.458  -1.512
   68   1HH2  ARG   9          HH11      ARG   9  -0.031   4.374  -0.279
   69   2HH2  ARG   9          HH12      ARG   9  -0.057   5.421  -1.658
   70    H    LEU  10           HN       LEU  10  -2.766   0.242   2.478
   71    HA   LEU  10           HA       LEU  10  -0.505   0.422   4.162
   72   1HB   LEU  10          HB2       LEU  10  -2.644  -0.708   4.675
   73   2HB   LEU  10          HB1       LEU  10  -2.265  -1.960   3.491
   74    HG   LEU  10           HG       LEU  10  -0.359  -2.696   4.770
   75   1HD1  LEU  10          HD11      LEU  10  -0.234  -1.383   7.138
   76   2HD1  LEU  10          HD12      LEU  10  -0.750  -0.064   6.087
   77   3HD1  LEU  10          HD13      LEU  10   0.742  -0.937   5.739
   78   1HD2  LEU  10          HD21      LEU  10  -2.861  -3.130   5.559
   79   2HD2  LEU  10          HD22      LEU  10  -2.339  -2.197   6.963
   80   3HD2  LEU  10          HD23      LEU  10  -1.500  -3.687   6.532
   81    H    PHE  11           HN       PHE  11  -1.116  -2.034   1.614
   82    HA   PHE  11           HA       PHE  11   1.408  -3.322   1.740
   83   1HB   PHE  11          HB2       PHE  11  -0.921  -3.629   0.389
   84   2HB   PHE  11          HB1       PHE  11   0.086  -2.973  -0.902
   85    HD1  PHE  11           HD1      PHE  11   2.160  -4.140  -1.602
   86    HD2  PHE  11           HD2      PHE  11  -0.508  -5.821   1.315
   87    HE1  PHE  11           HE1      PHE  11   3.248  -6.351  -1.881
   88    HE2  PHE  11           HE2      PHE  11   0.580  -8.032   1.035
   89    HZ   PHE  11           HZ       PHE  11   2.458  -8.297  -0.563
   90    H    ASN  12           HN       ASN  12   0.351  -0.741  -0.522
   91    HA   ASN  12           HA       ASN  12   2.786  -0.338  -1.877
   92   1HB   ASN  12          HB2       ASN  12   0.587   0.665  -2.426
   93   2HB   ASN  12          HB1       ASN  12   0.703   1.688  -0.994
   94   1HD2  ASN  12          HD21      ASN  12   0.497   3.316  -3.012
   95   2HD2  ASN  12          HD22      ASN  12   1.979   3.879  -3.618
   96    H    ARG  13           HN       ARG  13   1.617   1.440   1.016
   97    HA   ARG  13           HA       ARG  13   3.918   3.010   1.479
   98   1HB   ARG  13          HB2       ARG  13   1.906   3.431   2.683
   99   2HB   ARG  13          HB1       ARG  13   1.811   1.765   3.254
  100   1HG   ARG  13          HG2       ARG  13   3.348   2.104   4.925
  101   2HG   ARG  13          HG1       ARG  13   4.262   3.285   3.985
  102   1HD   ARG  13          HD2       ARG  13   3.266   4.871   5.277
  103   2HD   ARG  13          HD1       ARG  13   1.774   4.510   4.385
  104    HE   ARG  13           HE       ARG  13   2.558   3.036   6.873
  105   1HH1  ARG  13          HH21      ARG  13   0.237   3.240   4.475
  106   2HH1  ARG  13          HH22      ARG  13  -1.119   3.379   5.544
  107   1HH2  ARG  13          HH11      ARG  13   0.829   3.753   8.390
  108   2HH2  ARG  13          HH12      ARG  13  -0.784   3.670   7.761
  109    H    SER  14           HN       SER  14   3.144  -0.240   2.772
  110    HA   SER  14           HA       SER  14   5.477  -0.629   4.329
  111   1HB   SER  14          HB2       SER  14   3.468  -2.060   4.334
  112   2HB   SER  14          HB1       SER  14   3.830  -2.587   2.694
  113    HG   SER  14           HG       SER  14   5.378  -3.837   3.433
  114    H    PHE  15           HN       PHE  15   4.888  -1.606   0.927
  115    HA   PHE  15           HA       PHE  15   7.473  -2.663   0.398
  116   1HB   PHE  15          HB2       PHE  15   5.670  -3.069  -1.107
  117   2HB   PHE  15          HB1       PHE  15   5.320  -1.348  -1.271
  118    HD1  PHE  15           HD1      PHE  15   8.018  -3.868  -1.896
  119    HD2  PHE  15           HD2      PHE  15   6.261  -0.117  -3.033
  120    HE1  PHE  15           HE1      PHE  15   9.555  -3.737  -3.838
  121    HE2  PHE  15           HE2      PHE  15   7.798   0.014  -4.974
  122    HZ   PHE  15           HZ       PHE  15   9.445  -1.795  -5.377
  123    H    THR  16           HN       THR  16   6.214   0.658  -0.012
  124    HA   THR  16           HA       THR  16   8.560   1.803  -1.170
  125    HB   THR  16           HB       THR  16   6.346   2.917   0.581
  126    HG1  THR  16           HG1      THR  16   6.800   2.911  -2.219
  127   1HG2  THR  16          HG21      THR  16   7.070   5.084   0.116
  128   2HG2  THR  16          HG22      THR  16   8.018   4.574  -1.282
  129   3HG2  THR  16          HG23      THR  16   8.602   4.242   0.349
  130    H    GLN  17           HN       GLN  17   7.494   1.691   2.252
  131    HA   GLN  17           HA       GLN  17   9.761   3.018   3.365
  132   1HB   GLN  17          HB2       GLN  17   7.369   1.788   4.190
  133   2HB   GLN  17          HB1       GLN  17   8.648   0.931   5.052
  134   1HG   GLN  17          HG2       GLN  17   9.577   3.112   5.798
  135   2HG   GLN  17          HG1       GLN  17   8.238   3.935   4.997
  136   1HE2  GLN  17          HE21      GLN  17   8.511   1.069   7.190
  137   2HE2  GLN  17          HE22      GLN  17   7.272   1.572   8.234
  138    H    ALA  18           HN       ALA  18   9.114  -0.476   2.911
  139    HA   ALA  18           HA       ALA  18  11.600  -1.396   4.008
  140   1HB   ALA  18          HB1       ALA  18   9.320  -2.407   2.415
  141   2HB   ALA  18          HB2       ALA  18  10.118  -3.127   3.813
  142   3HB   ALA  18          HB3       ALA  18  10.823  -3.305   2.207
  143    H    LEU  19           HN       LEU  19  10.582  -0.859   0.612
  144    HA   LEU  19           HA       LEU  19  12.971  -1.595  -0.688
  145   1HB   LEU  19          HB2       LEU  19  10.918  -1.098  -1.867
  146   2HB   LEU  19          HB1       LEU  19  10.910   0.557  -1.254
  147    HG   LEU  19           HG       LEU  19  13.325  -0.333  -2.764
  148   1HD1  LEU  19          HD11      LEU  19  10.575   0.026  -3.925
  149   2HD1  LEU  19          HD12      LEU  19  11.814  -1.157  -4.346
  150   3HD1  LEU  19          HD13      LEU  19  11.988   0.522  -4.857
  151   1HD2  LEU  19          HD21      LEU  19  11.715   2.193  -2.376
  152   2HD2  LEU  19          HD22      LEU  19  12.929   2.070  -3.650
  153   3HD2  LEU  19          HD23      LEU  19  13.403   1.893  -1.960
  154    H    GLY  20           HN       GLY  20  12.155   1.408   1.004
  155   1HA   GLY  20          HA2       GLY  20  14.536   2.823   0.100
  156   2HA   GLY  20          HA1       GLY  20  13.445   3.350   1.384
  157    H    LYS  21           HN       LYS  21  14.209   0.206   2.114
  158    HA   LYS  21           HA       LYS  21  16.756   0.885   3.513
  159   1HB   LYS  21          HB2       LYS  21  14.082   0.138   4.690
  160   2HB   LYS  21          HB1       LYS  21  15.573  -0.229   5.560
  161   1HG   LYS  21          HG2       LYS  21  16.216   2.216   5.245
  162   2HG   LYS  21          HG1       LYS  21  14.562   2.489   4.695
  163   1HD   LYS  21          HD2       LYS  21  14.394   2.954   6.981
  164   2HD   LYS  21          HD1       LYS  21  13.901   1.261   6.913
  165   1HE   LYS  21          HE2       LYS  21  15.583   0.748   8.338
  166   2HE   LYS  21          HE1       LYS  21  16.752   1.315   7.128
  167   1HZ   LYS  21          HZ1       LYS  21  16.613   2.535   9.388
  168   2HZ   LYS  21          HZ2       LYS  21  15.222   3.256   8.732
  169   3HZ   LYS  21          HZ3       LYS  21  16.725   3.451   7.965
  170   1HN   NH2  22          1HN       NH2  22  18.008  -1.058   4.032
  171   2HN   NH2  22          2HN       NH2  22  17.595  -2.583   3.410
  Start of MODEL   28
    1   1H    SER   1          1H        SER   1 -16.713   2.379  -9.488
    2   2H    SER   1          2H        SER   1 -15.225   1.558  -9.528
    3   3H    SER   1          3H        SER   1 -15.265   3.254  -9.618
    4    HA   SER   1           HA       SER   1 -15.614   3.524  -7.390
    5   1HB   SER   1          HB2       SER   1 -16.861   1.725  -6.133
    6   2HB   SER   1          HB1       SER   1 -17.762   2.398  -7.489
    7    HG   SER   1           HG       SER   1 -17.757   0.489  -8.349
    8    H    GLY   2           HN       GLY   2 -15.325   0.008  -7.221
    9   1HA   GLY   2          HA2       GLY   2 -13.296  -1.282  -7.017
   10   2HA   GLY   2          HA1       GLY   2 -12.394   0.220  -6.808
   11    H    SER   3           HN       SER   3 -11.420  -0.734  -4.880
   12    HA   SER   3           HA       SER   3 -12.590   0.077  -2.430
   13   1HB   SER   3          HB2       SER   3 -12.973  -2.555  -1.819
   14   2HB   SER   3          HB1       SER   3 -14.257  -1.489  -2.382
   15    HG   SER   3           HG       SER   3 -14.377  -2.962  -3.901
   16    H    LEU   4           HN       LEU   4 -11.621  -1.842  -0.652
   17    HA   LEU   4           HA       LEU   4  -9.616  -2.657   0.302
   18   1HB   LEU   4          HB2       LEU   4  -9.608  -3.216  -2.538
   19   2HB   LEU   4          HB1       LEU   4  -7.964  -2.915  -1.976
   20    HG   LEU   4           HG       LEU   4  -8.678  -4.495   0.013
   21   1HD1  LEU   4          HD11      LEU   4 -10.825  -4.803  -2.003
   22   2HD1  LEU   4          HD12      LEU   4 -10.852  -5.130  -0.271
   23   3HD1  LEU   4          HD13      LEU   4 -10.154  -6.310  -1.380
   24   1HD2  LEU   4          HD21      LEU   4  -6.891  -5.233  -1.305
   25   2HD2  LEU   4          HD22      LEU   4  -7.843  -5.200  -2.789
   26   3HD2  LEU   4          HD23      LEU   4  -8.096  -6.485  -1.608
   27    H    SER   5           HN       SER   5 -10.048   0.306  -0.720
   28    HA   SER   5           HA       SER   5  -7.687   1.579  -1.438
   29   1HB   SER   5          HB2       SER   5 -10.169   2.291  -0.540
   30   2HB   SER   5          HB1       SER   5  -9.168   2.803   0.816
   31    HG   SER   5           HG       SER   5  -8.372   4.339  -0.382
   32    H    THR   6           HN       THR   6  -8.681   1.164   1.986
   33    HA   THR   6           HA       THR   6  -6.334   1.937   3.260
   34    HB   THR   6           HB       THR   6  -7.145  -0.129   4.813
   35    HG1  THR   6           HG1      THR   6  -8.557  -1.016   3.382
   36   1HG2  THR   6          HG21      THR   6  -9.030   1.503   5.545
   37   2HG2  THR   6          HG22      THR   6  -8.379   2.570   4.300
   38   3HG2  THR   6          HG23      THR   6  -7.360   2.059   5.646
   39    H    PHE   7           HN       PHE   7  -7.103  -1.424   2.255
   40    HA   PHE   7           HA       PHE   7  -4.659  -2.642   2.934
   41   1HB   PHE   7          HB2       PHE   7  -6.988  -3.410   1.827
   42   2HB   PHE   7          HB1       PHE   7  -5.997  -3.378   0.369
   43    HD1  PHE   7           HD1      PHE   7  -7.226  -5.656   2.460
   44    HD2  PHE   7           HD2      PHE   7  -3.361  -4.186   1.296
   45    HE1  PHE   7           HE1      PHE   7  -6.208  -7.824   3.103
   46    HE2  PHE   7           HE2      PHE   7  -2.343  -6.355   1.940
   47    HZ   PHE   7           HZ       PHE   7  -3.766  -8.173   2.843
   48    H    PHE   8           HN       PHE   8  -5.554  -1.215  -0.236
   49    HA   PHE   8           HA       PHE   8  -3.105  -1.592  -1.580
   50   1HB   PHE   8          HB2       PHE   8  -5.237  -0.782  -2.554
   51   2HB   PHE   8          HB1       PHE   8  -5.041   0.746  -1.696
   52    HD1  PHE   8           HD1      PHE   8  -3.725   2.487  -2.601
   53    HD2  PHE   8           HD2      PHE   8  -3.405  -1.485  -4.204
   54    HE1  PHE   8           HE1      PHE   8  -2.307   3.346  -4.447
   55    HE2  PHE   8           HE2      PHE   8  -1.988  -0.626  -6.049
   56    HZ   PHE   8           HZ       PHE   8  -1.438   1.788  -6.171
   57    H    ARG   9           HN       ARG   9  -4.132   1.326   0.244
   58    HA   ARG   9           HA       ARG   9  -1.740   2.803   0.043
   59   1HB   ARG   9          HB2       ARG   9  -3.998   3.469   0.982
   60   2HB   ARG   9          HB1       ARG   9  -3.566   2.600   2.456
   61   1HG   ARG   9          HG2       ARG   9  -1.991   4.155   3.081
   62   2HG   ARG   9          HG1       ARG   9  -1.583   4.566   1.413
   63   1HD   ARG   9          HD2       ARG   9  -4.353   5.261   2.083
   64   2HD   ARG   9          HD1       ARG   9  -3.164   6.115   3.087
   65    HE   ARG   9           HE       ARG   9  -2.977   6.053   0.097
   66   1HH1  ARG   9          HH11      ARG   9  -4.095   8.132   2.356
   67   2HH1  ARG   9          HH12      ARG   9  -2.944   9.397   2.080
   68   1HH2  ARG   9          HH21      ARG   9  -0.888   7.451   0.078
   69   2HH2  ARG   9          HH22      ARG   9  -1.128   9.011   0.790
   70    H    LEU  10           HN       LEU  10  -2.692   0.535   2.656
   71    HA   LEU  10           HA       LEU  10  -0.336   0.675   4.207
   72   1HB   LEU  10          HB2       LEU  10  -2.714  -0.673   4.241
   73   2HB   LEU  10          HB1       LEU  10  -1.595  -1.984   3.866
   74    HG   LEU  10           HG       LEU  10  -0.580  -0.213   5.961
   75   1HD1  LEU  10          HD11      LEU  10  -3.046  -0.075   6.404
   76   2HD1  LEU  10          HD12      LEU  10  -2.149  -0.869   7.698
   77   3HD1  LEU  10          HD13      LEU  10  -3.076  -1.832   6.547
   78   1HD2  LEU  10          HD21      LEU  10  -0.234  -2.412   7.073
   79   2HD2  LEU  10          HD22      LEU  10   0.379  -2.409   5.419
   80   3HD2  LEU  10          HD23      LEU  10  -1.159  -3.189   5.787
   81    H    PHE  11           HN       PHE  11  -1.092  -1.538   1.492
   82    HA   PHE  11           HA       PHE  11   1.354  -2.992   1.501
   83   1HB   PHE  11          HB2       PHE  11  -0.539  -3.757   0.251
   84   2HB   PHE  11          HB1       PHE  11  -0.660  -2.233  -0.628
   85    HD1  PHE  11           HD1      PHE  11   0.383  -2.002  -2.714
   86    HD2  PHE  11           HD2      PHE  11   1.695  -5.084  -0.025
   87    HE1  PHE  11           HE1      PHE  11   1.893  -2.892  -4.469
   88    HE2  PHE  11           HE2      PHE  11   3.206  -5.973  -1.779
   89    HZ   PHE  11           HZ       PHE  11   3.304  -4.876  -4.002
   90    H    ASN  12           HN       ASN  12   0.428  -0.119  -0.438
   91    HA   ASN  12           HA       ASN  12   2.884   0.241  -1.804
   92   1HB   ASN  12          HB2       ASN  12   0.911   1.443  -2.438
   93   2HB   ASN  12          HB1       ASN  12   0.726   2.122  -0.820
   94   1HD2  ASN  12          HD21      ASN  12   3.551   1.930  -3.067
   95   2HD2  ASN  12          HD22      ASN  12   3.889   3.594  -3.013
   96    H    ARG  13           HN       ARG  13   1.813   1.604   1.329
   97    HA   ARG  13           HA       ARG  13   4.179   3.115   1.872
   98   1HB   ARG  13          HB2       ARG  13   1.735   2.849   2.965
   99   2HB   ARG  13          HB1       ARG  13   2.641   1.824   4.079
  100   1HG   ARG  13          HG2       ARG  13   3.623   3.604   5.058
  101   2HG   ARG  13          HG1       ARG  13   4.058   4.306   3.500
  102   1HD   ARG  13          HD2       ARG  13   2.179   5.633   3.425
  103   2HD   ARG  13          HD1       ARG  13   1.172   4.423   4.246
  104    HE   ARG  13           HE       ARG  13   1.882   5.304   6.333
  105   1HH1  ARG  13          HH21      ARG  13   2.111   7.936   4.873
  106   2HH1  ARG  13          HH22      ARG  13   3.710   8.442   5.310
  107   1HH2  ARG  13          HH11      ARG  13   4.689   5.302   6.408
  108   2HH2  ARG  13          HH12      ARG  13   5.168   6.950   6.180
  109    H    SER  14           HN       SER  14   3.209  -0.110   3.118
  110    HA   SER  14           HA       SER  14   5.559  -0.743   4.531
  111   1HB   SER  14          HB2       SER  14   3.263  -2.100   3.315
  112   2HB   SER  14          HB1       SER  14   4.695  -3.124   3.388
  113    HG   SER  14           HG       SER  14   3.899  -1.575   5.605
  114    H    PHE  15           HN       PHE  15   4.814  -1.411   1.090
  115    HA   PHE  15           HA       PHE  15   7.328  -2.643   0.465
  116   1HB   PHE  15          HB2       PHE  15   4.878  -2.011  -0.766
  117   2HB   PHE  15          HB1       PHE  15   6.101  -1.179  -1.726
  118    HD1  PHE  15           HD1      PHE  15   8.060  -2.481  -2.641
  119    HD2  PHE  15           HD2      PHE  15   4.666  -4.386  -0.821
  120    HE1  PHE  15           HE1      PHE  15   8.709  -4.635  -3.685
  121    HE2  PHE  15           HE2      PHE  15   5.316  -6.540  -1.865
  122    HZ   PHE  15           HZ       PHE  15   7.336  -6.665  -3.297
  123    H    THR  16           HN       THR  16   6.170   0.711  -0.065
  124    HA   THR  16           HA       THR  16   8.489   1.802  -1.228
  125    HB   THR  16           HB       THR  16   7.594   3.919  -0.016
  126    HG1  THR  16           HG1      THR  16   6.011   3.633   1.333
  127   1HG2  THR  16          HG21      THR  16   6.677   2.420  -2.228
  128   2HG2  THR  16          HG22      THR  16   6.415   4.136  -1.916
  129   3HG2  THR  16          HG23      THR  16   5.236   2.948  -1.359
  130    H    GLN  17           HN       GLN  17   7.695   1.444   2.239
  131    HA   GLN  17           HA       GLN  17  10.120   2.681   3.204
  132   1HB   GLN  17          HB2       GLN  17   8.080   0.771   4.377
  133   2HB   GLN  17          HB1       GLN  17   9.373   1.501   5.329
  134   1HG   GLN  17          HG2       GLN  17   8.545   3.716   4.914
  135   2HG   GLN  17          HG1       GLN  17   7.413   3.129   3.695
  136   1HE2  GLN  17          HE21      GLN  17   5.321   2.737   4.440
  137   2HE2  GLN  17          HE22      GLN  17   4.898   2.491   6.065
  138    H    ALA  18           HN       ALA  18   9.128  -0.765   3.031
  139    HA   ALA  18           HA       ALA  18  11.556  -1.925   3.890
  140   1HB   ALA  18          HB1       ALA  18   9.998  -3.564   3.657
  141   2HB   ALA  18          HB2       ALA  18  10.521  -3.645   1.975
  142   3HB   ALA  18          HB3       ALA  18   9.124  -2.663   2.418
  143    H    LEU  19           HN       LEU  19  10.535  -1.044   0.576
  144    HA   LEU  19           HA       LEU  19  12.714  -2.010  -0.898
  145   1HB   LEU  19          HB2       LEU  19  10.483  -0.516  -1.351
  146   2HB   LEU  19          HB1       LEU  19  11.734   0.712  -1.553
  147    HG   LEU  19           HG       LEU  19  11.477  -1.913  -3.039
  148   1HD1  LEU  19          HD11      LEU  19  11.111   0.985  -3.661
  149   2HD1  LEU  19          HD12      LEU  19  10.211  -0.412  -4.252
  150   3HD1  LEU  19          HD13      LEU  19  11.798  -0.039  -4.922
  151   1HD2  LEU  19          HD21      LEU  19  13.595  -0.615  -4.180
  152   2HD2  LEU  19          HD22      LEU  19  13.758  -1.893  -2.975
  153   3HD2  LEU  19          HD23      LEU  19  13.824  -0.201  -2.480
  154    H    GLY  20           HN       GLY  20  12.428   1.307   0.449
  155   1HA   GLY  20          HA2       GLY  20  14.311   2.281   1.722
  156   2HA   GLY  20          HA1       GLY  20  15.405   1.329   0.715
  157    H    LYS  21           HN       LYS  21  13.030   2.403  -1.336
  158    HA   LYS  21           HA       LYS  21  14.736   4.214  -2.744
  159   1HB   LYS  21          HB2       LYS  21  11.722   3.837  -2.727
  160   2HB   LYS  21          HB1       LYS  21  12.619   4.693  -3.982
  161   1HG   LYS  21          HG2       LYS  21  12.809   1.761  -3.253
  162   2HG   LYS  21          HG1       LYS  21  12.295   2.458  -4.790
  163   1HD   LYS  21          HD2       LYS  21  14.704   3.570  -4.707
  164   2HD   LYS  21          HD1       LYS  21  15.053   2.196  -3.656
  165   1HE   LYS  21          HE2       LYS  21  15.560   1.389  -5.835
  166   2HE   LYS  21          HE1       LYS  21  13.924   0.770  -5.534
  167   1HZ   LYS  21          HZ1       LYS  21  14.727   3.147  -7.102
  168   2HZ   LYS  21          HZ2       LYS  21  13.149   2.980  -6.492
  169   3HZ   LYS  21          HZ3       LYS  21  13.763   1.841  -7.592
  170   1HN   NH2  22          1HN       NH2  22  13.710   6.603  -3.226
  171   2HN   NH2  22          2HN       NH2  22  13.380   7.510  -1.830
  Start of MODEL   29
    1   1H    SER   1          1H        SER   1 -18.766   0.899  -7.679
    2   2H    SER   1          2H        SER   1 -18.283  -0.283  -6.557
    3   3H    SER   1          3H        SER   1 -18.017  -0.525  -8.217
    4    HA   SER   1           HA       SER   1 -16.338   1.113  -8.313
    5   1HB   SER   1          HB2       SER   1 -16.070   2.701  -6.487
    6   2HB   SER   1          HB1       SER   1 -17.771   2.661  -6.940
    7    HG   SER   1           HG       SER   1 -16.483   1.706  -4.657
    8    H    GLY   2           HN       GLY   2 -14.758   1.434  -5.806
    9   1HA   GLY   2          HA2       GLY   2 -14.096  -1.433  -5.271
   10   2HA   GLY   2          HA1       GLY   2 -12.832  -0.248  -5.603
   11    H    SER   3           HN       SER   3 -12.585  -1.532  -3.246
   12    HA   SER   3           HA       SER   3 -12.968   0.637  -1.293
   13   1HB   SER   3          HB2       SER   3 -15.133  -0.654  -1.409
   14   2HB   SER   3          HB1       SER   3 -14.249  -2.083  -0.881
   15    HG   SER   3           HG       SER   3 -13.579  -0.739   0.952
   16    H    LEU   4           HN       LEU   4 -10.551  -0.287  -2.147
   17    HA   LEU   4           HA       LEU   4  -9.615  -2.030   0.111
   18   1HB   LEU   4          HB2       LEU   4  -9.435  -2.275  -2.784
   19   2HB   LEU   4          HB1       LEU   4  -7.834  -2.284  -2.043
   20    HG   LEU   4           HG       LEU   4  -9.058  -3.932  -0.328
   21   1HD1  LEU   4          HD11      LEU   4 -10.886  -3.669  -2.585
   22   2HD1  LEU   4          HD12      LEU   4 -11.140  -4.456  -1.027
   23   3HD1  LEU   4          HD13      LEU   4 -10.377  -5.341  -2.347
   24   1HD2  LEU   4          HD21      LEU   4  -7.052  -4.477  -1.631
   25   2HD2  LEU   4          HD22      LEU   4  -8.031  -4.700  -3.080
   26   3HD2  LEU   4          HD23      LEU   4  -8.202  -5.811  -1.721
   27    H    SER   5           HN       SER   5  -9.675   1.047  -0.637
   28    HA   SER   5           HA       SER   5  -7.172   2.138  -1.093
   29   1HB   SER   5          HB2       SER   5  -8.013   4.035   0.089
   30   2HB   SER   5          HB1       SER   5  -9.441   3.212  -0.533
   31    HG   SER   5           HG       SER   5  -8.517   3.505   2.064
   32    H    THR   6           HN       THR   6  -8.384   1.193   2.152
   33    HA   THR   6           HA       THR   6  -6.027   1.671   3.623
   34    HB   THR   6           HB       THR   6  -8.196  -0.435   3.878
   35    HG1  THR   6           HG1      THR   6  -7.822   2.211   4.711
   36   1HG2  THR   6          HG21      THR   6  -7.494  -0.477   6.295
   37   2HG2  THR   6          HG22      THR   6  -6.068   0.454   5.840
   38   3HG2  THR   6          HG23      THR   6  -6.305  -1.169   5.192
   39    H    PHE   7           HN       PHE   7  -7.090  -1.539   2.412
   40    HA   PHE   7           HA       PHE   7  -4.735  -2.976   2.938
   41   1HB   PHE   7          HB2       PHE   7  -7.149  -3.192   1.356
   42   2HB   PHE   7          HB1       PHE   7  -5.787  -3.886   0.475
   43    HD1  PHE   7           HD1      PHE   7  -5.371  -6.141   0.846
   44    HD2  PHE   7           HD2      PHE   7  -7.046  -3.776   4.017
   45    HE1  PHE   7           HE1      PHE   7  -5.449  -8.148   2.302
   46    HE2  PHE   7           HE2      PHE   7  -7.123  -5.782   5.472
   47    HZ   PHE   7           HZ       PHE   7  -6.325  -7.968   4.614
   48    H    PHE   8           HN       PHE   8  -5.590  -1.756  -0.325
   49    HA   PHE   8           HA       PHE   8  -3.108  -2.084  -1.565
   50   1HB   PHE   8          HB2       PHE   8  -5.546  -1.044  -2.193
   51   2HB   PHE   8          HB1       PHE   8  -4.576   0.428  -2.147
   52    HD1  PHE   8           HD1      PHE   8  -3.814   1.071  -4.248
   53    HD2  PHE   8           HD2      PHE   8  -3.991  -3.109  -3.276
   54    HE1  PHE   8           HE1      PHE   8  -2.861   0.516  -6.468
   55    HE2  PHE   8           HE2      PHE   8  -3.037  -3.665  -5.497
   56    HZ   PHE   8           HZ       PHE   8  -2.473  -1.853  -7.093
   57    H    ARG   9           HN       ARG   9  -4.245   0.973  -0.060
   58    HA   ARG   9           HA       ARG   9  -1.895   2.477  -0.258
   59   1HB   ARG   9          HB2       ARG   9  -4.091   3.263   0.562
   60   2HB   ARG   9          HB1       ARG   9  -3.883   2.312   2.033
   61   1HG   ARG   9          HG2       ARG   9  -2.732   4.001   2.966
   62   2HG   ARG   9          HG1       ARG   9  -1.533   3.896   1.676
   63   1HD   ARG   9          HD2       ARG   9  -2.242   6.016   1.168
   64   2HD   ARG   9          HD1       ARG   9  -3.613   5.186   0.405
   65    HE   ARG   9           HE       ARG   9  -4.964   5.840   2.236
   66   1HH1  ARG   9          HH21      ARG   9  -3.375   8.268   2.643
   67   2HH1  ARG   9          HH22      ARG   9  -2.846   8.130   4.287
   68   1HH2  ARG   9          HH11      ARG   9  -3.525   4.736   4.498
   69   2HH2  ARG   9          HH12      ARG   9  -2.932   6.131   5.337
   70    H    LEU  10           HN       LEU  10  -2.822   0.328   2.463
   71    HA   LEU  10           HA       LEU  10  -0.505   0.637   4.046
   72   1HB   LEU  10          HB2       LEU  10  -2.672  -0.558   4.565
   73   2HB   LEU  10          HB1       LEU  10  -2.100  -1.901   3.574
   74    HG   LEU  10           HG       LEU  10   0.013  -1.224   5.347
   75   1HD1  LEU  10          HD11      LEU  10  -0.922  -1.169   7.488
   76   2HD1  LEU  10          HD12      LEU  10  -2.451  -1.864   6.945
   77   3HD1  LEU  10          HD13      LEU  10  -2.066  -0.183   6.576
   78   1HD2  LEU  10          HD21      LEU  10  -0.007  -3.494   5.708
   79   2HD2  LEU  10          HD22      LEU  10  -1.072  -3.465   4.301
   80   3HD2  LEU  10          HD23      LEU  10  -1.757  -3.549   5.926
   81    H    PHE  11           HN       PHE  11  -1.138  -1.937   1.621
   82    HA   PHE  11           HA       PHE  11   1.371  -3.211   1.697
   83   1HB   PHE  11          HB2       PHE  11  -0.971  -3.418   0.302
   84   2HB   PHE  11          HB1       PHE  11   0.119  -2.847  -0.962
   85    HD1  PHE  11           HD1      PHE  11   2.264  -4.106  -1.409
   86    HD2  PHE  11           HD2      PHE  11  -0.833  -5.645   1.138
   87    HE1  PHE  11           HE1      PHE  11   3.234  -6.380  -1.602
   88    HE2  PHE  11           HE2      PHE  11   0.137  -7.918   0.945
   89    HZ   PHE  11           HZ       PHE  11   2.172  -8.286  -0.426
   90    H    ASN  12           HN       ASN  12   0.356  -0.605  -0.555
   91    HA   ASN  12           HA       ASN  12   2.806  -0.212  -1.883
   92   1HB   ASN  12          HB2       ASN  12   0.772   1.862  -0.999
   93   2HB   ASN  12          HB1       ASN  12   1.881   2.009  -2.365
   94   1HD2  ASN  12          HD21      ASN  12   1.499  -0.937  -3.029
   95   2HD2  ASN  12          HD22      ASN  12  -0.021  -1.015  -3.782
   96    H    ARG  13           HN       ARG  13   1.637   1.488   1.053
   97    HA   ARG  13           HA       ARG  13   3.920   3.080   1.539
   98   1HB   ARG  13          HB2       ARG  13   1.747   3.262   2.688
   99   2HB   ARG  13          HB1       ARG  13   2.022   1.705   3.470
  100   1HG   ARG  13          HG2       ARG  13   3.556   2.561   4.945
  101   2HG   ARG  13          HG1       ARG  13   4.162   3.746   3.788
  102   1HD   ARG  13          HD2       ARG  13   2.981   4.976   5.508
  103   2HD   ARG  13          HD1       ARG  13   1.934   4.975   4.075
  104    HE   ARG  13           HE       ARG  13   1.046   2.741   5.261
  105   1HH1  ARG  13          HH11      ARG  13   0.654   5.959   5.928
  106   2HH1  ARG  13          HH12      ARG  13   0.133   5.760   7.568
  107   1HH2  ARG  13          HH21      ARG  13   0.924   2.387   7.691
  108   2HH2  ARG  13          HH22      ARG  13   0.287   3.738   8.566
  109    H    SER  14           HN       SER  14   3.165  -0.103   3.022
  110    HA   SER  14           HA       SER  14   5.583  -0.500   4.405
  111   1HB   SER  14          HB2       SER  14   3.288  -2.000   3.498
  112   2HB   SER  14          HB1       SER  14   4.740  -2.983   3.333
  113    HG   SER  14           HG       SER  14   5.218  -2.374   5.535
  114    H    PHE  15           HN       PHE  15   4.803  -1.265   1.006
  115    HA   PHE  15           HA       PHE  15   7.269  -2.558   0.347
  116   1HB   PHE  15          HB2       PHE  15   4.844  -1.799  -0.866
  117   2HB   PHE  15          HB1       PHE  15   6.103  -1.011  -1.817
  118    HD1  PHE  15           HD1      PHE  15   8.310  -3.056  -1.250
  119    HD2  PHE  15           HD2      PHE  15   4.210  -3.494  -2.456
  120    HE1  PHE  15           HE1      PHE  15   8.857  -5.224  -2.325
  121    HE2  PHE  15           HE2      PHE  15   4.757  -5.661  -3.530
  122    HZ   PHE  15           HZ       PHE  15   7.081  -6.527  -3.464
  123    H    THR  16           HN       THR  16   6.246   0.852  -0.076
  124    HA   THR  16           HA       THR  16   8.694   1.810  -1.188
  125    HB   THR  16           HB       THR  16   6.430   3.032   0.401
  126    HG1  THR  16           HG1      THR  16   7.095   3.698  -2.214
  127   1HG2  THR  16          HG21      THR  16   8.409   4.395   0.841
  128   2HG2  THR  16          HG22      THR  16   7.342   5.245  -0.277
  129   3HG2  THR  16          HG23      THR  16   8.789   4.437  -0.881
  130    H    GLN  17           HN       GLN  17   7.593   1.538   2.193
  131    HA   GLN  17           HA       GLN  17   9.855   2.859   3.382
  132   1HB   GLN  17          HB2       GLN  17   7.813   2.575   4.606
  133   2HB   GLN  17          HB1       GLN  17   7.809   0.834   4.321
  134   1HG   GLN  17          HG2       GLN  17  10.289   1.578   5.573
  135   2HG   GLN  17          HG1       GLN  17   8.946   2.221   6.519
  136   1HE2  GLN  17          HE21      GLN  17  10.705  -0.065   7.257
  137   2HE2  GLN  17          HE22      GLN  17   9.682  -1.409   7.426
  138    H    ALA  18           HN       ALA  18   9.092  -0.642   3.134
  139    HA   ALA  18           HA       ALA  18  11.644  -1.541   4.088
  140   1HB   ALA  18          HB1       ALA  18  10.444  -3.413   2.286
  141   2HB   ALA  18          HB2       ALA  18   9.150  -2.579   3.146
  142   3HB   ALA  18          HB3       ALA  18  10.405  -3.428   4.049
  143    H    LEU  19           HN       LEU  19  10.344  -1.313   0.752
  144    HA   LEU  19           HA       LEU  19  12.624  -2.190  -0.656
  145   1HB   LEU  19          HB2       LEU  19  10.354  -1.725  -1.568
  146   2HB   LEU  19          HB1       LEU  19  10.650   0.003  -1.374
  147    HG   LEU  19           HG       LEU  19  12.656  -0.235  -2.865
  148   1HD1  LEU  19          HD11      LEU  19  11.555  -3.045  -3.072
  149   2HD1  LEU  19          HD12      LEU  19  13.193  -2.551  -2.641
  150   3HD1  LEU  19          HD13      LEU  19  12.619  -2.356  -4.298
  151   1HD2  LEU  19          HD21      LEU  19  10.755  -1.223  -4.751
  152   2HD2  LEU  19          HD22      LEU  19  11.200   0.455  -4.440
  153   3HD2  LEU  19          HD23      LEU  19   9.872  -0.285  -3.547
  154    H    GLY  20           HN       GLY  20  11.940   0.959   0.805
  155   1HA   GLY  20          HA2       GLY  20  14.337   2.175  -0.403
  156   2HA   GLY  20          HA1       GLY  20  13.218   2.972   0.707
  157    H    LYS  21           HN       LYS  21  13.877   0.025   2.082
  158    HA   LYS  21           HA       LYS  21  16.513   0.495   3.197
  159   1HB   LYS  21          HB2       LYS  21  15.466   2.334   4.306
  160   2HB   LYS  21          HB1       LYS  21  14.025   1.383   4.672
  161   1HG   LYS  21          HG2       LYS  21  14.996   0.351   6.470
  162   2HG   LYS  21          HG1       LYS  21  16.589   0.307   5.713
  163   1HD   LYS  21          HD2       LYS  21  15.544   3.004   6.384
  164   2HD   LYS  21          HD1       LYS  21  15.975   1.979   7.752
  165   1HE   LYS  21          HE2       LYS  21  18.180   2.330   7.372
  166   2HE   LYS  21          HE1       LYS  21  18.007   1.801   5.686
  167   1HZ   LYS  21          HZ1       LYS  21  17.206   3.944   5.066
  168   2HZ   LYS  21          HZ2       LYS  21  18.650   4.178   5.929
  169   3HZ   LYS  21          HZ3       LYS  21  17.153   4.466   6.679
  170   1HN   NH2  22          1HN       NH2  22  13.347  -0.769   4.423
  171   2HN   NH2  22          2HN       NH2  22  13.915  -2.343   4.713
  Start of MODEL   30
    1   1H    SER   1          1H        SER   1 -14.164  -6.907  -6.030
    2   2H    SER   1          2H        SER   1 -12.623  -6.789  -6.736
    3   3H    SER   1          3H        SER   1 -13.801  -5.607  -7.057
    4    HA   SER   1           HA       SER   1 -13.044  -6.031  -4.256
    5   1HB   SER   1          HB2       SER   1 -11.166  -4.275  -4.956
    6   2HB   SER   1          HB1       SER   1 -10.870  -6.007  -5.071
    7    HG   SER   1           HG       SER   1 -11.317  -4.112  -7.063
    8    H    GLY   2           HN       GLY   2 -12.813  -3.651  -3.366
    9   1HA   GLY   2          HA2       GLY   2 -14.142  -1.527  -4.801
   10   2HA   GLY   2          HA1       GLY   2 -15.238  -2.282  -3.644
   11    H    SER   3           HN       SER   3 -14.268  -2.525  -1.365
   12    HA   SER   3           HA       SER   3 -13.136   0.093  -0.585
   13   1HB   SER   3          HB2       SER   3 -15.083  -1.438   0.436
   14   2HB   SER   3          HB1       SER   3 -13.731  -2.116   1.339
   15    HG   SER   3           HG       SER   3 -13.231   0.002   2.022
   16    H    LEU   4           HN       LEU   4 -11.120  -1.045  -1.915
   17    HA   LEU   4           HA       LEU   4  -9.442  -2.572   0.026
   18   1HB   LEU   4          HB2       LEU   4 -10.000  -2.858  -2.665
   19   2HB   LEU   4          HB1       LEU   4  -8.434  -2.046  -2.689
   20    HG   LEU   4           HG       LEU   4  -7.764  -3.811  -0.886
   21   1HD1  LEU   4          HD11      LEU   4  -8.983  -5.966  -1.202
   22   2HD1  LEU   4          HD12      LEU   4 -10.161  -5.121  -2.207
   23   3HD1  LEU   4          HD13      LEU   4 -10.003  -4.710  -0.499
   24   1HD2  LEU   4          HD21      LEU   4  -6.923  -3.665  -3.252
   25   2HD2  LEU   4          HD22      LEU   4  -8.250  -4.720  -3.740
   26   3HD2  LEU   4          HD23      LEU   4  -7.008  -5.316  -2.638
   27    H    SER   5           HN       SER   5 -10.015   0.594  -0.733
   28    HA   SER   5           HA       SER   5  -7.663   1.927  -1.297
   29   1HB   SER   5          HB2       SER   5  -9.686   2.521   0.886
   30   2HB   SER   5          HB1       SER   5  -8.576   3.701   0.194
   31    HG   SER   5           HG       SER   5 -10.796   3.529  -0.719
   32    H    THR   6           HN       THR   6  -8.621   1.384   2.113
   33    HA   THR   6           HA       THR   6  -6.236   1.950   3.391
   34    HB   THR   6           HB       THR   6  -7.045  -0.007   4.944
   35    HG1  THR   6           HG1      THR   6  -8.987  -0.839   4.410
   36   1HG2  THR   6          HG21      THR   6  -9.129   1.409   5.508
   37   2HG2  THR   6          HG22      THR   6  -8.609   2.459   4.189
   38   3HG2  THR   6          HG23      THR   6  -7.559   2.210   5.585
   39    H    PHE   7           HN       PHE   7  -7.129  -1.394   2.434
   40    HA   PHE   7           HA       PHE   7  -4.733  -2.705   2.914
   41   1HB   PHE   7          HB2       PHE   7  -6.642  -2.951   0.567
   42   2HB   PHE   7          HB1       PHE   7  -5.461  -4.180   1.019
   43    HD1  PHE   7           HD1      PHE   7  -5.622  -5.304   3.256
   44    HD2  PHE   7           HD2      PHE   7  -8.689  -2.682   1.780
   45    HE1  PHE   7           HE1      PHE   7  -7.207  -6.212   4.935
   46    HE2  PHE   7           HE2      PHE   7 -10.272  -3.589   3.460
   47    HZ   PHE   7           HZ       PHE   7  -9.531  -5.355   5.037
   48    H    PHE   8           HN       PHE   8  -5.566  -1.428  -0.335
   49    HA   PHE   8           HA       PHE   8  -3.117  -1.679  -1.606
   50   1HB   PHE   8          HB2       PHE   8  -5.200  -0.842  -2.619
   51   2HB   PHE   8          HB1       PHE   8  -5.066   0.649  -1.686
   52    HD1  PHE   8           HD1      PHE   8  -2.222  -1.181  -3.209
   53    HD2  PHE   8           HD2      PHE   8  -4.842   2.209  -3.500
   54    HE1  PHE   8           HE1      PHE   8  -0.768  -0.209  -4.966
   55    HE2  PHE   8           HE2      PHE   8  -3.388   3.181  -5.259
   56    HZ   PHE   8           HZ       PHE   8  -1.350   1.972  -5.991
   57    H    ARG   9           HN       ARG   9  -4.134   1.275   0.167
   58    HA   ARG   9           HA       ARG   9  -1.722   2.703   0.053
   59   1HB   ARG   9          HB2       ARG   9  -4.083   3.229   1.032
   60   2HB   ARG   9          HB1       ARG   9  -3.434   2.567   2.533
   61   1HG   ARG   9          HG2       ARG   9  -1.954   4.306   2.825
   62   2HG   ARG   9          HG1       ARG   9  -1.760   4.570   1.091
   63   1HD   ARG   9          HD2       ARG   9  -4.490   5.114   1.725
   64   2HD   ARG   9          HD1       ARG   9  -3.477   5.985   2.894
   65    HE   ARG   9           HE       ARG   9  -2.378   7.112   1.050
   66   1HH1  ARG   9          HH21      ARG   9  -5.442   6.982   0.367
   67   2HH1  ARG   9          HH22      ARG   9  -5.342   6.683  -1.336
   68   1HH2  ARG   9          HH11      ARG   9  -1.982   5.829  -1.257
   69   2HH2  ARG   9          HH12      ARG   9  -3.383   6.030  -2.255
   70    H    LEU  10           HN       LEU  10  -2.730   0.347   2.560
   71    HA   LEU  10           HA       LEU  10  -0.416   0.469   4.188
   72   1HB   LEU  10          HB2       LEU  10  -2.599  -1.466   3.568
   73   2HB   LEU  10          HB1       LEU  10  -1.201  -2.100   4.438
   74    HG   LEU  10           HG       LEU  10  -1.450  -0.190   6.066
   75   1HD1  LEU  10          HD11      LEU  10  -4.181   0.142   4.806
   76   2HD1  LEU  10          HD12      LEU  10  -2.817   1.183   4.399
   77   3HD1  LEU  10          HD13      LEU  10  -3.434   1.143   6.051
   78   1HD2  LEU  10          HD21      LEU  10  -2.324  -2.087   7.029
   79   2HD2  LEU  10          HD22      LEU  10  -3.394  -2.411   5.665
   80   3HD2  LEU  10          HD23      LEU  10  -3.831  -1.187   6.856
   81    H    PHE  11           HN       PHE  11  -1.115  -1.830   1.519
   82    HA   PHE  11           HA       PHE  11   1.363  -3.197   1.524
   83   1HB   PHE  11          HB2       PHE  11  -1.008  -3.006  -0.018
   84   2HB   PHE  11          HB1       PHE  11   0.332  -2.797  -1.145
   85    HD1  PHE  11           HD1      PHE  11   1.496  -4.673  -1.932
   86    HD2  PHE  11           HD2      PHE  11  -0.787  -4.971   1.695
   87    HE1  PHE  11           HE1      PHE  11   1.953  -7.108  -1.844
   88    HE2  PHE  11           HE2      PHE  11  -0.330  -7.406   1.783
   89    HZ   PHE  11           HZ       PHE  11   1.040  -8.475   0.014
   90    H    ASN  12           HN       ASN  12   0.402  -0.402  -0.514
   91    HA   ASN  12           HA       ASN  12   2.849   0.022  -1.839
   92   1HB   ASN  12          HB2       ASN  12   0.396   1.176  -1.762
   93   2HB   ASN  12          HB1       ASN  12   1.328   2.395  -0.891
   94   1HD2  ASN  12          HD21      ASN  12   3.840   2.033  -2.294
   95   2HD2  ASN  12          HD22      ASN  12   3.621   2.574  -3.888
   96    H    ARG  13           HN       ARG  13   1.753   1.505   1.239
   97    HA   ARG  13           HA       ARG  13   4.092   2.998   1.809
   98   1HB   ARG  13          HB2       ARG  13   1.675   2.056   3.113
   99   2HB   ARG  13          HB1       ARG  13   3.035   2.039   4.237
  100   1HG   ARG  13          HG2       ARG  13   2.872   4.270   4.451
  101   2HG   ARG  13          HG1       ARG  13   3.213   4.448   2.730
  102   1HD   ARG  13          HD2       ARG  13   0.592   3.690   2.632
  103   2HD   ARG  13          HD1       ARG  13   0.620   4.606   4.152
  104    HE   ARG  13           HE       ARG  13   1.498   6.530   2.914
  105   1HH1  ARG  13          HH11      ARG  13   1.552   3.819   0.885
  106   2HH1  ARG  13          HH12      ARG  13   1.027   4.667  -0.532
  107   1HH2  ARG  13          HH21      ARG  13   0.396   7.630   1.153
  108   2HH2  ARG  13          HH22      ARG  13   0.373   6.825  -0.379
  109    H    SER  14           HN       SER  14   3.229  -0.281   2.995
  110    HA   SER  14           HA       SER  14   5.598  -0.865   4.397
  111   1HB   SER  14          HB2       SER  14   3.826  -2.655   2.701
  112   2HB   SER  14          HB1       SER  14   4.938  -3.222   3.944
  113    HG   SER  14           HG       SER  14   3.059  -3.008   5.004
  114    H    PHE  15           HN       PHE  15   4.873  -1.623   0.964
  115    HA   PHE  15           HA       PHE  15   7.385  -2.733   0.272
  116   1HB   PHE  15          HB2       PHE  15   5.054  -2.405  -0.958
  117   2HB   PHE  15          HB1       PHE  15   5.859  -0.984  -1.626
  118    HD1  PHE  15           HD1      PHE  15   8.701  -2.202  -1.521
  119    HD2  PHE  15           HD2      PHE  15   4.954  -3.660  -3.033
  120    HE1  PHE  15           HE1      PHE  15   9.913  -3.643  -3.134
  121    HE2  PHE  15           HE2      PHE  15   6.166  -5.102  -4.646
  122    HZ   PHE  15           HZ       PHE  15   8.646  -5.093  -4.697
  123    H    THR  16           HN       THR  16   6.286   0.638  -0.305
  124    HA   THR  16           HA       THR  16   8.720   1.712  -1.224
  125    HB   THR  16           HB       THR  16   7.735   3.856  -0.391
  126    HG1  THR  16           HG1      THR  16   5.903   3.769   0.850
  127   1HG2  THR  16          HG21      THR  16   6.470   3.716  -2.240
  128   2HG2  THR  16          HG22      THR  16   5.263   2.795  -1.340
  129   3HG2  THR  16          HG23      THR  16   6.569   1.955  -2.179
  130    H    GLN  17           HN       GLN  17   7.526   1.564   2.153
  131    HA   GLN  17           HA       GLN  17   9.726   2.795   3.431
  132   1HB   GLN  17          HB2       GLN  17   7.365   1.392   4.079
  133   2HB   GLN  17          HB1       GLN  17   8.663   0.552   4.928
  134   1HG   GLN  17          HG2       GLN  17   8.826   3.498   5.040
  135   2HG   GLN  17          HG1       GLN  17   7.428   2.807   5.864
  136   1HE2  GLN  17          HE21      GLN  17   7.892   1.128   7.559
  137   2HE2  GLN  17          HE22      GLN  17   9.390   1.146   8.358
  138    H    ALA  18           HN       ALA  18   9.185  -0.730   3.002
  139    HA   ALA  18           HA       ALA  18  11.743  -1.560   3.945
  140   1HB   ALA  18          HB1       ALA  18  10.264  -3.312   3.781
  141   2HB   ALA  18          HB2       ALA  18  11.013  -3.501   2.195
  142   3HB   ALA  18          HB3       ALA  18   9.480  -2.643   2.350
  143    H    LEU  19           HN       LEU  19  10.666  -1.551   0.522
  144    HA   LEU  19           HA       LEU  19  13.229  -1.853  -0.639
  145   1HB   LEU  19          HB2       LEU  19  10.523  -1.356  -1.400
  146   2HB   LEU  19          HB1       LEU  19  11.538  -0.203  -2.267
  147    HG   LEU  19           HG       LEU  19  11.264  -2.348  -3.508
  148   1HD1  LEU  19          HD11      LEU  19  13.316  -1.959  -4.350
  149   2HD1  LEU  19          HD12      LEU  19  14.082  -2.619  -2.904
  150   3HD1  LEU  19          HD13      LEU  19  13.630  -0.915  -2.963
  151   1HD2  LEU  19          HD21      LEU  19  13.015  -3.651  -1.440
  152   2HD2  LEU  19          HD22      LEU  19  11.952  -4.403  -2.630
  153   3HD2  LEU  19          HD23      LEU  19  11.268  -3.624  -1.203
  154    H    GLY  20           HN       GLY  20  11.852   0.887   0.947
  155   1HA   GLY  20          HA2       GLY  20  13.790   2.739  -0.350
  156   2HA   GLY  20          HA1       GLY  20  12.421   3.233   0.649
  157    H    LYS  21           HN       LYS  21  13.768   0.637   2.217
  158    HA   LYS  21           HA       LYS  21  15.062   0.496   4.188
  159   1HB   LYS  21          HB2       LYS  21  16.512   2.411   2.365
  160   2HB   LYS  21          HB1       LYS  21  17.173   2.015   3.952
  161   1HG   LYS  21          HG2       LYS  21  17.946   0.051   3.176
  162   2HG   LYS  21          HG1       LYS  21  16.323  -0.408   2.657
  163   1HD   LYS  21          HD2       LYS  21  17.516  -0.413   0.638
  164   2HD   LYS  21          HD1       LYS  21  16.786   1.194   0.643
  165   1HE   LYS  21          HE2       LYS  21  18.850   2.201   1.437
  166   2HE   LYS  21          HE1       LYS  21  19.592   0.603   1.650
  167   1HZ   LYS  21          HZ1       LYS  21  19.247   0.173  -0.710
  168   2HZ   LYS  21          HZ2       LYS  21  20.214   1.552  -0.486
  169   3HZ   LYS  21          HZ3       LYS  21  18.578   1.718  -0.913
  170   1HN   NH2  22          1HN       NH2  22  12.897   1.862   4.945
  171   2HN   NH2  22          2HN       NH2  22  13.258   3.302   5.767
  Start of MODEL   31
    1   1H    SER   1          1H        SER   1  -1.889  -6.559  -6.958
    2   2H    SER   1          2H        SER   1  -1.994  -7.828  -8.082
    3   3H    SER   1          3H        SER   1  -2.336  -8.111  -6.443
    4    HA   SER   1           HA       SER   1  -3.987  -6.778  -8.482
    5   1HB   SER   1          HB2       SER   1  -3.896  -9.197  -7.061
    6   2HB   SER   1          HB1       SER   1  -5.197  -8.282  -6.303
    7    HG   SER   1           HG       SER   1  -4.944  -8.473  -9.110
    8    H    GLY   2           HN       GLY   2  -6.079  -5.868  -7.365
    9   1HA   GLY   2          HA2       GLY   2  -5.174  -3.924  -5.309
   10   2HA   GLY   2          HA1       GLY   2  -6.627  -3.767  -6.299
   11    H    SER   3           HN       SER   3  -6.329  -3.671  -3.332
   12    HA   SER   3           HA       SER   3  -8.179  -5.938  -2.658
   13   1HB   SER   3          HB2       SER   3  -7.034  -5.302  -0.294
   14   2HB   SER   3          HB1       SER   3  -6.329  -6.474  -1.403
   15    HG   SER   3           HG       SER   3  -4.711  -5.162  -1.592
   16    H    LEU   4           HN       LEU   4  -7.161  -2.675  -1.560
   17    HA   LEU   4           HA       LEU   4  -9.782  -1.537  -1.638
   18   1HB   LEU   4          HB2       LEU   4  -9.582  -3.470   0.280
   19   2HB   LEU   4          HB1       LEU   4  -9.126  -2.040   1.207
   20    HG   LEU   4           HG       LEU   4 -11.415  -1.513  -0.515
   21   1HD1  LEU   4          HD11      LEU   4 -11.815  -3.937  -0.111
   22   2HD1  LEU   4          HD12      LEU   4 -13.028  -2.924   0.670
   23   3HD1  LEU   4          HD13      LEU   4 -11.730  -3.640   1.626
   24   1HD2  LEU   4          HD21      LEU   4 -12.294  -0.560   1.523
   25   2HD2  LEU   4          HD22      LEU   4 -10.570  -0.191   1.476
   26   3HD2  LEU   4          HD23      LEU   4 -11.165  -1.492   2.507
   27    H    SER   5           HN       SER   5  -9.796   0.637  -0.688
   28    HA   SER   5           HA       SER   5  -7.558   2.220  -1.013
   29   1HB   SER   5          HB2       SER   5  -9.956   2.863  -0.481
   30   2HB   SER   5          HB1       SER   5  -9.593   2.547   1.212
   31    HG   SER   5           HG       SER   5  -7.669   4.038   0.573
   32    H    THR   6           HN       THR   6  -8.626   1.194   2.256
   33    HA   THR   6           HA       THR   6  -6.280   1.900   3.649
   34    HB   THR   6           HB       THR   6  -7.639  -0.589   4.488
   35    HG1  THR   6           HG1      THR   6  -9.087   1.825   4.152
   36   1HG2  THR   6          HG21      THR   6  -7.295   2.169   5.696
   37   2HG2  THR   6          HG22      THR   6  -6.300   0.752   6.030
   38   3HG2  THR   6          HG23      THR   6  -7.989   0.781   6.533
   39    H    PHE   7           HN       PHE   7  -7.136  -1.377   2.453
   40    HA   PHE   7           HA       PHE   7  -4.680  -2.647   3.050
   41   1HB   PHE   7          HB2       PHE   7  -6.971  -3.014   1.176
   42   2HB   PHE   7          HB1       PHE   7  -5.521  -3.967   0.854
   43    HD1  PHE   7           HD1      PHE   7  -8.570  -4.154   2.419
   44    HD2  PHE   7           HD2      PHE   7  -4.410  -4.811   3.264
   45    HE1  PHE   7           HE1      PHE   7  -9.188  -5.714   4.245
   46    HE2  PHE   7           HE2      PHE   7  -5.028  -6.371   5.090
   47    HZ   PHE   7           HZ       PHE   7  -7.417  -6.823   5.580
   48    H    PHE   8           HN       PHE   8  -5.691  -1.393  -0.161
   49    HA   PHE   8           HA       PHE   8  -3.324  -1.699  -1.582
   50   1HB   PHE   8          HB2       PHE   8  -5.651  -0.695  -2.182
   51   2HB   PHE   8          HB1       PHE   8  -4.945   0.845  -1.692
   52    HD1  PHE   8           HD1      PHE   8  -2.556   1.363  -2.709
   53    HD2  PHE   8           HD2      PHE   8  -5.382  -1.401  -4.391
   54    HE1  PHE   8           HE1      PHE   8  -1.427   1.549  -4.909
   55    HE2  PHE   8           HE2      PHE   8  -4.253  -1.216  -6.592
   56    HZ   PHE   8           HZ       PHE   8  -2.276   0.259  -6.851
   57    H    ARG   9           HN       ARG   9  -4.194   1.313   0.173
   58    HA   ARG   9           HA       ARG   9  -1.733   2.650  -0.065
   59   1HB   ARG   9          HB2       ARG   9  -4.082   3.250   0.975
   60   2HB   ARG   9          HB1       ARG   9  -3.333   2.715   2.479
   61   1HG   ARG   9          HG2       ARG   9  -1.429   4.366   1.190
   62   2HG   ARG   9          HG1       ARG   9  -2.976   5.209   1.082
   63   1HD   ARG   9          HD2       ARG   9  -2.578   4.005   3.720
   64   2HD   ARG   9          HD1       ARG   9  -1.315   5.187   3.316
   65    HE   ARG   9           HE       ARG   9  -4.197   5.870   2.910
   66   1HH1  ARG   9          HH21      ARG   9  -1.082   7.062   3.113
   67   2HH1  ARG   9          HH22      ARG   9  -1.453   8.362   4.196
   68   1HH2  ARG   9          HH11      ARG   9  -4.692   7.283   4.804
   69   2HH2  ARG   9          HH12      ARG   9  -3.497   8.487   5.152
   70    H    LEU  10           HN       LEU  10  -2.758   0.328   2.453
   71    HA   LEU  10           HA       LEU  10  -0.463   0.454   4.111
   72   1HB   LEU  10          HB2       LEU  10  -2.769  -0.768   4.296
   73   2HB   LEU  10          HB1       LEU  10  -1.940  -2.097   3.486
   74    HG   LEU  10           HG       LEU  10  -1.109  -0.780   6.088
   75   1HD1  LEU  10          HD11      LEU  10  -2.222  -3.509   5.384
   76   2HD1  LEU  10          HD12      LEU  10  -2.957  -2.293   6.428
   77   3HD1  LEU  10          HD13      LEU  10  -1.494  -3.130   6.944
   78   1HD2  LEU  10          HD21      LEU  10   0.188  -2.952   4.415
   79   2HD2  LEU  10          HD22      LEU  10   0.632  -2.606   6.086
   80   3HD2  LEU  10          HD23      LEU  10   0.877  -1.385   4.838
   81    H    PHE  11           HN       PHE  11  -1.135  -1.862   1.450
   82    HA   PHE  11           HA       PHE  11   1.385  -3.174   1.478
   83   1HB   PHE  11          HB2       PHE  11  -1.018  -3.081  -0.049
   84   2HB   PHE  11          HB1       PHE  11   0.323  -2.935  -1.185
   85    HD1  PHE  11           HD1      PHE  11  -0.458  -4.861   1.948
   86    HD2  PHE  11           HD2      PHE  11   1.158  -4.930  -2.031
   87    HE1  PHE  11           HE1      PHE  11   0.006  -7.285   2.179
   88    HE2  PHE  11           HE2      PHE  11   1.621  -7.356  -1.800
   89    HZ   PHE  11           HZ       PHE  11   1.045  -8.533   0.305
   90    H    ASN  12           HN       ASN  12   0.296  -0.351  -0.439
   91    HA   ASN  12           HA       ASN  12   2.667   0.069  -1.936
   92   1HB   ASN  12          HB2       ASN  12   0.309   1.151  -2.014
   93   2HB   ASN  12          HB1       ASN  12   0.935   2.267  -0.799
   94   1HD2  ASN  12          HD21      ASN  12   0.493   3.830  -2.752
   95   2HD2  ASN  12          HD22      ASN  12   1.779   4.053  -3.837
   96    H    ARG  13           HN       ARG  13   1.699   1.767   1.078
   97    HA   ARG  13           HA       ARG  13   4.126   3.135   1.540
   98   1HB   ARG  13          HB2       ARG  13   1.731   2.270   3.026
   99   2HB   ARG  13          HB1       ARG  13   3.147   2.527   4.045
  100   1HG   ARG  13          HG2       ARG  13   2.785   4.618   2.016
  101   2HG   ARG  13          HG1       ARG  13   1.448   4.517   3.164
  102   1HD   ARG  13          HD2       ARG  13   3.692   4.262   4.792
  103   2HD   ARG  13          HD1       ARG  13   4.177   5.485   3.599
  104    HE   ARG  13           HE       ARG  13   2.658   6.925   4.679
  105   1HH1  ARG  13          HH21      ARG  13   2.003   3.717   5.614
  106   2HH1  ARG  13          HH22      ARG  13   0.390   4.042   6.156
  107   1HH2  ARG  13          HH11      ARG  13   0.401   7.332   5.059
  108   2HH2  ARG  13          HH12      ARG  13  -0.517   6.088   5.842
  109    H    SER  14           HN       SER  14   3.107  -0.024   2.908
  110    HA   SER  14           HA       SER  14   5.439  -0.668   4.335
  111   1HB   SER  14          HB2       SER  14   3.108  -1.982   3.196
  112   2HB   SER  14          HB1       SER  14   4.515  -3.039   3.139
  113    HG   SER  14           HG       SER  14   4.795  -2.261   5.428
  114    H    PHE  15           HN       PHE  15   4.724  -1.304   0.885
  115    HA   PHE  15           HA       PHE  15   7.177  -2.639   0.266
  116   1HB   PHE  15          HB2       PHE  15   4.902  -1.347  -1.106
  117   2HB   PHE  15          HB1       PHE  15   6.392  -1.389  -2.050
  118    HD1  PHE  15           HD1      PHE  15   6.809  -3.287  -3.330
  119    HD2  PHE  15           HD2      PHE  15   4.387  -3.632   0.200
  120    HE1  PHE  15           HE1      PHE  15   6.429  -5.687  -3.825
  121    HE2  PHE  15           HE2      PHE  15   4.008  -6.033  -0.294
  122    HZ   PHE  15           HZ       PHE  15   5.029  -7.060  -2.307
  123    H    THR  16           HN       THR  16   6.237   0.787  -0.251
  124    HA   THR  16           HA       THR  16   8.720   1.719  -1.246
  125    HB   THR  16           HB       THR  16   7.699   3.849   0.118
  126    HG1  THR  16           HG1      THR  16   5.392   3.472   0.036
  127   1HG2  THR  16          HG21      THR  16   6.090   3.971  -1.963
  128   2HG2  THR  16          HG22      THR  16   6.982   2.542  -2.485
  129   3HG2  THR  16          HG23      THR  16   7.836   4.058  -2.196
  130    H    GLN  17           HN       GLN  17   7.520   1.730   2.134
  131    HA   GLN  17           HA       GLN  17   9.864   2.819   3.334
  132   1HB   GLN  17          HB2       GLN  17   7.377   2.148   4.130
  133   2HB   GLN  17          HB1       GLN  17   8.255   0.757   4.766
  134   1HG   GLN  17          HG2       GLN  17   9.357   3.505   5.240
  135   2HG   GLN  17          HG1       GLN  17   8.006   2.944   6.226
  136   1HE2  GLN  17          HE21      GLN  17   8.708   1.966   8.121
  137   2HE2  GLN  17          HE22      GLN  17  10.138   1.068   8.288
  138    H    ALA  18           HN       ALA  18   8.928  -0.569   2.699
  139    HA   ALA  18           HA       ALA  18  11.161  -1.816   3.974
  140   1HB   ALA  18          HB1       ALA  18   9.069  -2.926   3.248
  141   2HB   ALA  18          HB2       ALA  18  10.481  -3.733   2.565
  142   3HB   ALA  18          HB3       ALA  18   9.513  -2.652   1.564
  143    H    LEU  19           HN       LEU  19  10.677  -0.785   0.581
  144    HA   LEU  19           HA       LEU  19  13.078  -1.712  -0.551
  145   1HB   LEU  19          HB2       LEU  19  11.397   0.770  -0.978
  146   2HB   LEU  19          HB1       LEU  19  12.736   0.346  -2.045
  147    HG   LEU  19           HG       LEU  19  10.312  -1.376  -1.453
  148   1HD1  LEU  19          HD11      LEU  19   9.730   0.405  -2.966
  149   2HD1  LEU  19          HD12      LEU  19   9.958  -1.047  -3.942
  150   3HD1  LEU  19          HD13      LEU  19  11.219   0.185  -3.886
  151   1HD2  LEU  19          HD21      LEU  19  11.415  -2.690  -3.432
  152   2HD2  LEU  19          HD22      LEU  19  12.049  -2.919  -1.803
  153   3HD2  LEU  19          HD23      LEU  19  12.888  -1.859  -2.935
  154    H    GLY  20           HN       GLY  20  12.524   1.545   0.859
  155   1HA   GLY  20          HA2       GLY  20  14.329   2.257   2.522
  156   2HA   GLY  20          HA1       GLY  20  15.481   1.718   1.297
  157    H    LYS  21           HN       LYS  21  12.927   2.987  -0.395
  158    HA   LYS  21           HA       LYS  21  14.419   5.461  -0.968
  159   1HB   LYS  21          HB2       LYS  21  12.790   3.668  -2.347
  160   2HB   LYS  21          HB1       LYS  21  11.783   5.108  -2.190
  161   1HG   LYS  21          HG2       LYS  21  13.014   6.226  -3.710
  162   2HG   LYS  21          HG1       LYS  21  14.515   5.816  -2.879
  163   1HD   LYS  21          HD2       LYS  21  14.366   3.522  -3.935
  164   2HD   LYS  21          HD1       LYS  21  13.028   4.131  -4.909
  165   1HE   LYS  21          HE2       LYS  21  14.476   5.864  -5.875
  166   2HE   LYS  21          HE1       LYS  21  15.826   5.320  -4.858
  167   1HZ   LYS  21          HZ1       LYS  21  16.020   3.361  -5.985
  168   2HZ   LYS  21          HZ2       LYS  21  15.483   4.348  -7.258
  169   3HZ   LYS  21          HZ3       LYS  21  14.390   3.326  -6.455
  170   1HN   NH2  22          1HN       NH2  22  13.231   7.615  -0.922
  171   2HN   NH2  22          2HN       NH2  22  12.060   7.886   0.277
  Start of MODEL   32
    1   1H    SER   1          1H        SER   1 -15.158  -4.070  -1.390
    2   2H    SER   1          2H        SER   1 -13.730  -3.157  -1.270
    3   3H    SER   1          3H        SER   1 -13.884  -4.615  -0.412
    4    HA   SER   1           HA       SER   1 -13.493  -5.915  -2.237
    5   1HB   SER   1          HB2       SER   1 -14.126  -5.026  -4.514
    6   2HB   SER   1          HB1       SER   1 -15.472  -5.097  -3.379
    7    HG   SER   1           HG       SER   1 -15.353  -2.927  -3.103
    8    H    GLY   2           HN       GLY   2 -12.933  -2.927  -4.003
    9   1HA   GLY   2          HA2       GLY   2  -9.999  -3.272  -3.514
   10   2HA   GLY   2          HA1       GLY   2 -10.660  -2.783  -5.076
   11    H    SER   3           HN       SER   3 -10.651  -0.625  -5.457
   12    HA   SER   3           HA       SER   3 -10.577   1.703  -5.050
   13   1HB   SER   3          HB2       SER   3 -11.742   1.196  -2.340
   14   2HB   SER   3          HB1       SER   3 -12.207   2.390  -3.548
   15    HG   SER   3           HG       SER   3 -12.756   0.308  -4.787
   16    H    LEU   4           HN       LEU   4  -8.280   0.056  -4.256
   17    HA   LEU   4           HA       LEU   4  -6.241   0.396  -3.107
   18   1HB   LEU   4          HB2       LEU   4  -7.628   2.916  -3.320
   19   2HB   LEU   4          HB1       LEU   4  -6.766   2.852  -1.782
   20    HG   LEU   4           HG       LEU   4  -5.165   1.779  -3.972
   21   1HD1  LEU   4          HD11      LEU   4  -6.759   3.945  -4.713
   22   2HD1  LEU   4          HD12      LEU   4  -5.268   3.436  -5.506
   23   3HD1  LEU   4          HD13      LEU   4  -5.223   4.684  -4.261
   24   1HD2  LEU   4          HD21      LEU   4  -4.669   4.185  -2.201
   25   2HD2  LEU   4          HD22      LEU   4  -3.471   3.132  -2.953
   26   3HD2  LEU   4          HD23      LEU   4  -4.467   2.529  -1.630
   27    H    SER   5           HN       SER   5  -8.555   2.050  -0.942
   28    HA   SER   5           HA       SER   5  -9.075   1.645   1.329
   29   1HB   SER   5          HB2       SER   5  -9.709  -0.505  -0.126
   30   2HB   SER   5          HB1       SER   5  -8.454  -1.244   0.863
   31    HG   SER   5           HG       SER   5  -9.873  -1.307   2.398
   32    H    THR   6           HN       THR   6  -8.107   0.803   3.407
   33    HA   THR   6           HA       THR   6  -5.419   1.498   3.778
   34    HB   THR   6           HB       THR   6  -6.961  -0.641   5.279
   35    HG1  THR   6           HG1      THR   6  -8.331   1.012   5.283
   36   1HG2  THR   6          HG21      THR   6  -4.727   1.265   5.986
   37   2HG2  THR   6          HG22      THR   6  -4.739  -0.494   6.114
   38   3HG2  THR   6          HG23      THR   6  -5.715   0.477   7.216
   39    H    PHE   7           HN       PHE   7  -6.792  -1.619   2.805
   40    HA   PHE   7           HA       PHE   7  -4.532  -3.291   3.146
   41   1HB   PHE   7          HB2       PHE   7  -6.933  -3.169   1.355
   42   2HB   PHE   7          HB1       PHE   7  -5.688  -4.367   1.001
   43    HD1  PHE   7           HD1      PHE   7  -7.476  -2.991   4.008
   44    HD2  PHE   7           HD2      PHE   7  -5.948  -6.457   1.983
   45    HE1  PHE   7           HE1      PHE   7  -8.347  -4.437   5.825
   46    HE2  PHE   7           HE2      PHE   7  -6.821  -7.904   3.799
   47    HZ   PHE   7           HZ       PHE   7  -8.021  -6.893   5.720
   48    H    PHE   8           HN       PHE   8  -5.550  -1.695   0.090
   49    HA   PHE   8           HA       PHE   8  -3.092  -2.221  -1.293
   50   1HB   PHE   8          HB2       PHE   8  -5.452  -1.543  -2.122
   51   2HB   PHE   8          HB1       PHE   8  -4.948   0.113  -1.782
   52    HD1  PHE   8           HD1      PHE   8  -2.801   0.979  -2.867
   53    HD2  PHE   8           HD2      PHE   8  -4.752  -2.646  -4.096
   54    HE1  PHE   8           HE1      PHE   8  -1.572   1.047  -5.019
   55    HE2  PHE   8           HE2      PHE   8  -3.523  -2.577  -6.249
   56    HZ   PHE   8           HZ       PHE   8  -1.934  -0.731  -6.711
   57    H    ARG   9           HN       ARG   9  -4.282   0.718   0.379
   58    HA   ARG   9           HA       ARG   9  -1.997   2.355  -0.089
   59   1HB   ARG   9          HB2       ARG   9  -4.430   2.313   1.479
   60   2HB   ARG   9          HB1       ARG   9  -3.105   2.973   2.439
   61   1HG   ARG   9          HG2       ARG   9  -2.583   4.579   0.661
   62   2HG   ARG   9          HG1       ARG   9  -3.858   3.897  -0.350
   63   1HD   ARG   9          HD2       ARG   9  -5.429   4.434   1.671
   64   2HD   ARG   9          HD1       ARG   9  -4.126   5.532   2.169
   65    HE   ARG   9           HE       ARG   9  -4.650   5.868  -0.634
   66   1HH1  ARG   9          HH11      ARG   9  -7.098   5.833   1.546
   67   2HH1  ARG   9          HH12      ARG   9  -7.468   7.524   1.480
   68   1HH2  ARG   9          HH21      ARG   9  -4.622   8.349  -0.321
   69   2HH2  ARG   9          HH22      ARG   9  -6.066   8.948   0.423
   70    H    LEU  10           HN       LEU  10  -2.742   0.079   2.558
   71    HA   LEU  10           HA       LEU  10  -0.399   0.634   4.132
   72   1HB   LEU  10          HB2       LEU  10  -2.410  -0.481   4.981
   73   2HB   LEU  10          HB1       LEU  10  -2.171  -1.817   3.854
   74    HG   LEU  10           HG       LEU  10   0.236  -1.856   5.044
   75   1HD1  LEU  10          HD11      LEU  10  -1.037   0.071   6.545
   76   2HD1  LEU  10          HD12      LEU  10   0.333  -0.892   7.098
   77   3HD1  LEU  10          HD13      LEU  10  -1.312  -1.383   7.502
   78   1HD2  LEU  10          HD21      LEU  10  -0.891  -3.874   5.101
   79   2HD2  LEU  10          HD22      LEU  10  -2.385  -3.142   5.688
   80   3HD2  LEU  10          HD23      LEU  10  -1.043  -3.419   6.798
   81    H    PHE  11           HN       PHE  11  -1.109  -1.995   1.797
   82    HA   PHE  11           HA       PHE  11   1.433  -3.271   1.907
   83   1HB   PHE  11          HB2       PHE  11  -0.928  -3.122   0.117
   84   2HB   PHE  11          HB1       PHE  11   0.558  -3.702  -0.637
   85    HD1  PHE  11           HD1      PHE  11  -2.305  -4.849   0.844
   86    HD2  PHE  11           HD2      PHE  11   1.953  -5.280   1.204
   87    HE1  PHE  11           HE1      PHE  11  -2.620  -7.061   1.919
   88    HE2  PHE  11           HE2      PHE  11   1.639  -7.492   2.280
   89    HZ   PHE  11           HZ       PHE  11  -0.648  -8.383   2.637
   90    H    ASN  12           HN       ASN  12   0.255  -0.603  -0.150
   91    HA   ASN  12           HA       ASN  12   2.634  -0.379  -1.760
   92   1HB   ASN  12          HB2       ASN  12   0.121   1.065  -1.220
   93   2HB   ASN  12          HB1       ASN  12   1.450   2.107  -1.729
   94   1HD2  ASN  12          HD21      ASN  12   2.361   1.759  -3.883
   95   2HD2  ASN  12          HD22      ASN  12   1.550   0.823  -5.043
   96    H    ARG  13           HN       ARG  13   1.488   1.551   1.039
   97    HA   ARG  13           HA       ARG  13   3.771   3.227   1.282
   98   1HB   ARG  13          HB2       ARG  13   1.785   2.128   3.294
   99   2HB   ARG  13          HB1       ARG  13   2.915   3.434   3.653
  100   1HG   ARG  13          HG2       ARG  13   1.065   3.580   1.275
  101   2HG   ARG  13          HG1       ARG  13   0.538   4.096   2.876
  102   1HD   ARG  13          HD2       ARG  13   3.155   5.125   1.807
  103   2HD   ARG  13          HD1       ARG  13   1.637   5.866   1.263
  104    HE   ARG  13           HE       ARG  13   1.295   5.700   3.991
  105   1HH1  ARG  13          HH11      ARG  13   3.144   7.445   1.726
  106   2HH1  ARG  13          HH12      ARG  13   3.921   8.449   2.903
  107   1HH2  ARG  13          HH21      ARG  13   2.565   6.773   5.619
  108   2HH2  ARG  13          HH22      ARG  13   3.594   8.069   5.107
  109    H    SER  14           HN       SER  14   3.023   0.177   3.017
  110    HA   SER  14           HA       SER  14   5.485   0.006   4.454
  111   1HB   SER  14          HB2       SER  14   3.090  -1.402   4.177
  112   2HB   SER  14          HB1       SER  14   4.316  -2.547   3.640
  113    HG   SER  14           HG       SER  14   3.963  -2.589   5.921
  114    H    PHE  15           HN       PHE  15   4.507  -1.456   1.333
  115    HA   PHE  15           HA       PHE  15   6.938  -2.837   0.793
  116   1HB   PHE  15          HB2       PHE  15   4.864  -3.225  -0.416
  117   2HB   PHE  15          HB1       PHE  15   4.848  -1.559  -0.996
  118    HD1  PHE  15           HD1      PHE  15   6.299  -4.890  -1.417
  119    HD2  PHE  15           HD2      PHE  15   6.516  -0.783  -2.658
  120    HE1  PHE  15           HE1      PHE  15   7.678  -5.553  -3.369
  121    HE2  PHE  15           HE2      PHE  15   7.895  -1.445  -4.609
  122    HZ   PHE  15           HZ       PHE  15   8.476  -3.830  -4.965
  123    H    THR  16           HN       THR  16   5.880   0.414  -0.291
  124    HA   THR  16           HA       THR  16   8.260   1.117  -1.685
  125    HB   THR  16           HB       THR  16   6.195   2.750  -0.175
  126    HG1  THR  16           HG1      THR  16   5.334   2.974  -2.260
  127   1HG2  THR  16          HG21      THR  16   7.114   4.397  -2.122
  128   2HG2  THR  16          HG22      THR  16   8.596   3.521  -1.733
  129   3HG2  THR  16          HG23      THR  16   7.738   4.407  -0.472
  130    H    GLN  17           HN       GLN  17   7.289   1.939   1.673
  131    HA   GLN  17           HA       GLN  17   9.731   3.225   2.404
  132   1HB   GLN  17          HB2       GLN  17   7.559   3.364   3.598
  133   2HB   GLN  17          HB1       GLN  17   7.726   1.674   4.076
  134   1HG   GLN  17          HG2       GLN  17  10.109   3.238   4.714
  135   2HG   GLN  17          HG1       GLN  17   8.664   3.870   5.506
  136   1HE2  GLN  17          HE21      GLN  17  10.730   2.593   7.021
  137   2HE2  GLN  17          HE22      GLN  17  10.121   1.132   7.635
  138    H    ALA  18           HN       ALA  18   8.661  -0.166   2.792
  139    HA   ALA  18           HA       ALA  18  10.917  -1.148   4.208
  140   1HB   ALA  18          HB1       ALA  18  10.153  -3.294   2.837
  141   2HB   ALA  18          HB2       ALA  18   8.816  -2.241   2.369
  142   3HB   ALA  18          HB3       ALA  18   9.103  -2.600   4.072
  143    H    LEU  19           HN       LEU  19  10.310  -1.174   0.670
  144    HA   LEU  19           HA       LEU  19  12.763  -2.299  -0.159
  145   1HB   LEU  19          HB2       LEU  19  10.481  -1.296  -1.302
  146   2HB   LEU  19          HB1       LEU  19  11.673  -0.095  -1.798
  147    HG   LEU  19           HG       LEU  19  12.356  -3.001  -2.061
  148   1HD1  LEU  19          HD11      LEU  19  10.307  -1.493  -3.622
  149   2HD1  LEU  19          HD12      LEU  19  10.402  -3.217  -3.264
  150   3HD1  LEU  19          HD13      LEU  19  11.418  -2.522  -4.527
  151   1HD2  LEU  19          HD21      LEU  19  13.149  -1.519  -4.297
  152   2HD2  LEU  19          HD22      LEU  19  14.169  -1.965  -2.929
  153   3HD2  LEU  19          HD23      LEU  19  13.349  -0.404  -2.944
  154    H    GLY  20           HN       GLY  20  11.945   1.177   0.195
  155   1HA   GLY  20          HA2       GLY  20  13.416   2.883   1.004
  156   2HA   GLY  20          HA1       GLY  20  14.755   1.735   0.915
  157    H    LYS  21           HN       LYS  21  13.125   1.405  -1.954
  158    HA   LYS  21           HA       LYS  21  13.652   2.097  -4.150
  159   1HB   LYS  21          HB2       LYS  21  13.040   4.301  -2.497
  160   2HB   LYS  21          HB1       LYS  21  14.441   4.797  -3.446
  161   1HG   LYS  21          HG2       LYS  21  12.905   5.284  -5.051
  162   2HG   LYS  21          HG1       LYS  21  12.923   3.546  -5.349
  163   1HD   LYS  21          HD2       LYS  21  10.738   3.493  -4.815
  164   2HD   LYS  21          HD1       LYS  21  11.184   3.921  -3.163
  165   1HE   LYS  21          HE2       LYS  21  11.313   6.330  -4.654
  166   2HE   LYS  21          HE1       LYS  21   9.791   5.535  -5.104
  167   1HZ   LYS  21          HZ1       LYS  21   9.595   6.862  -3.047
  168   2HZ   LYS  21          HZ2       LYS  21  10.761   5.866  -2.314
  169   3HZ   LYS  21          HZ3       LYS  21   9.267   5.216  -2.796
  170   1HN   NH2  22          1HN       NH2  22  15.936   1.304  -2.124
  171   2HN   NH2  22          2HN       NH2  22  17.345   1.847  -2.899
  Start of MODEL   33
    1   1H    SER   1          1H        SER   1  -9.774 -10.462  -7.944
    2   2H    SER   1          2H        SER   1  -8.486 -11.523  -7.624
    3   3H    SER   1          3H        SER   1  -8.175  -9.944  -8.165
    4    HA   SER   1           HA       SER   1  -9.594 -10.457  -5.612
    5   1HB   SER   1          HB2       SER   1  -7.569 -10.831  -4.561
    6   2HB   SER   1          HB1       SER   1  -7.176 -11.505  -6.141
    7    HG   SER   1           HG       SER   1  -5.682 -10.036  -6.195
    8    H    GLY   2           HN       GLY   2 -10.535  -8.488  -5.217
    9   1HA   GLY   2          HA2       GLY   2  -9.405  -6.035  -6.384
   10   2HA   GLY   2          HA1       GLY   2 -10.900  -6.147  -5.455
   11    H    SER   3           HN       SER   3  -9.310  -4.073  -4.793
   12    HA   SER   3           HA       SER   3  -8.154  -4.926  -2.165
   13   1HB   SER   3          HB2       SER   3  -6.875  -2.669  -3.599
   14   2HB   SER   3          HB1       SER   3  -6.134  -3.978  -2.682
   15    HG   SER   3           HG       SER   3  -7.217  -4.086  -5.307
   16    H    LEU   4           HN       LEU   4  -7.440  -2.366  -1.287
   17    HA   LEU   4           HA       LEU   4  -9.720  -0.537  -1.650
   18   1HB   LEU   4          HB2       LEU   4  -9.983  -2.601   0.135
   19   2HB   LEU   4          HB1       LEU   4  -9.326  -1.332   1.170
   20    HG   LEU   4           HG       LEU   4 -11.450  -0.432  -0.670
   21   1HD1  LEU   4          HD11      LEU   4 -13.224  -1.389   0.877
   22   2HD1  LEU   4          HD12      LEU   4 -11.975  -2.454   1.521
   23   3HD1  LEU   4          HD13      LEU   4 -12.438  -2.566  -0.176
   24   1HD2  LEU   4          HD21      LEU   4 -10.465   0.023   2.100
   25   2HD2  LEU   4          HD22      LEU   4 -12.184   0.308   1.825
   26   3HD2  LEU   4          HD23      LEU   4 -10.982   1.192   0.885
   27    H    SER   5           HN       SER   5  -9.374   1.486  -0.371
   28    HA   SER   5           HA       SER   5  -6.888   2.667  -0.585
   29   1HB   SER   5          HB2       SER   5  -9.016   3.770   0.051
   30   2HB   SER   5          HB1       SER   5  -8.919   3.025   1.645
   31    HG   SER   5           HG       SER   5  -7.061   4.834   0.479
   32    H    THR   6           HN       THR   6  -8.041   1.644   2.643
   33    HA   THR   6           HA       THR   6  -5.619   1.667   4.009
   34    HB   THR   6           HB       THR   6  -7.371  -0.658   4.546
   35    HG1  THR   6           HG1      THR   6  -9.102   0.411   4.047
   36   1HG2  THR   6          HG21      THR   6  -6.570  -0.177   6.587
   37   2HG2  THR   6          HG22      THR   6  -7.445   1.354   6.554
   38   3HG2  THR   6          HG23      THR   6  -5.789   1.272   5.953
   39    H    PHE   7           HN       PHE   7  -7.019  -1.320   2.589
   40    HA   PHE   7           HA       PHE   7  -4.762  -2.978   2.873
   41   1HB   PHE   7          HB2       PHE   7  -7.249  -3.298   2.000
   42   2HB   PHE   7          HB1       PHE   7  -6.485  -3.114   0.422
   43    HD1  PHE   7           HD1      PHE   7  -6.213  -5.210  -0.567
   44    HD2  PHE   7           HD2      PHE   7  -5.367  -4.735   3.617
   45    HE1  PHE   7           HE1      PHE   7  -5.422  -7.558  -0.460
   46    HE2  PHE   7           HE2      PHE   7  -4.576  -7.082   3.724
   47    HZ   PHE   7           HZ       PHE   7  -4.603  -8.494   1.685
   48    H    PHE   8           HN       PHE   8  -5.722  -1.533  -0.262
   49    HA   PHE   8           HA       PHE   8  -3.347  -1.940  -1.668
   50   1HB   PHE   8          HB2       PHE   8  -5.451  -1.068  -2.600
   51   2HB   PHE   8          HB1       PHE   8  -5.235   0.439  -1.711
   52    HD1  PHE   8           HD1      PHE   8  -4.458  -1.364  -4.723
   53    HD2  PHE   8           HD2      PHE   8  -3.118   1.820  -2.171
   54    HE1  PHE   8           HE1      PHE   8  -3.069  -0.467  -6.571
   55    HE2  PHE   8           HE2      PHE   8  -1.728   2.717  -4.019
   56    HZ   PHE   8           HZ       PHE   8  -1.703   1.572  -6.219
   57    H    ARG   9           HN       ARG   9  -4.184   1.120   0.017
   58    HA   ARG   9           HA       ARG   9  -1.706   2.421  -0.237
   59   1HB   ARG   9          HB2       ARG   9  -4.038   3.089   0.772
   60   2HB   ARG   9          HB1       ARG   9  -3.334   2.540   2.293
   61   1HG   ARG   9          HG2       ARG   9  -1.345   4.121   1.088
   62   2HG   ARG   9          HG1       ARG   9  -2.853   5.007   0.849
   63   1HD   ARG   9          HD2       ARG   9  -3.338   4.936   3.236
   64   2HD   ARG   9          HD1       ARG   9  -1.923   3.903   3.526
   65    HE   ARG   9           HE       ARG   9  -0.543   5.830   2.600
   66   1HH1  ARG   9          HH11      ARG   9  -2.518   6.200   5.152
   67   2HH1  ARG   9          HH12      ARG   9  -2.794   7.902   4.984
   68   1HH2  ARG   9          HH21      ARG   9  -1.406   8.082   1.811
   69   2HH2  ARG   9          HH22      ARG   9  -2.165   8.968   3.092
   70    H    LEU  10           HN       LEU  10  -2.784   0.298   2.445
   71    HA   LEU  10           HA       LEU  10  -0.476   0.380   4.049
   72   1HB   LEU  10          HB2       LEU  10  -2.689  -0.723   4.506
   73   2HB   LEU  10          HB1       LEU  10  -2.213  -2.027   3.417
   74    HG   LEU  10           HG       LEU  10  -0.074  -1.558   5.267
   75   1HD1  LEU  10          HD11      LEU  10  -1.773  -2.545   7.179
   76   2HD1  LEU  10          HD12      LEU  10  -2.798  -1.351   6.382
   77   3HD1  LEU  10          HD13      LEU  10  -1.256  -0.862   7.083
   78   1HD2  LEU  10          HD21      LEU  10  -1.814  -3.731   4.296
   79   2HD2  LEU  10          HD22      LEU  10  -1.214  -3.971   5.936
   80   3HD2  LEU  10          HD23      LEU  10  -0.077  -3.735   4.608
   81    H    PHE  11           HN       PHE  11  -1.194  -1.975   1.437
   82    HA   PHE  11           HA       PHE  11   1.289  -3.356   1.508
   83   1HB   PHE  11          HB2       PHE  11  -1.082  -3.499   0.151
   84   2HB   PHE  11          HB1       PHE  11   0.000  -2.938  -1.124
   85    HD1  PHE  11           HD1      PHE  11   0.897  -4.641  -2.422
   86    HD2  PHE  11           HD2      PHE  11   0.236  -5.332   1.765
   87    HE1  PHE  11           HE1      PHE  11   1.817  -6.933  -2.655
   88    HE2  PHE  11           HE2      PHE  11   1.156  -7.623   1.532
   89    HZ   PHE  11           HZ       PHE  11   1.946  -8.424  -0.678
   90    H    ASN  12           HN       ASN  12   0.281  -0.667  -0.646
   91    HA   ASN  12           HA       ASN  12   2.724  -0.318  -2.023
   92   1HB   ASN  12          HB2       ASN  12   0.580   0.743  -2.598
   93   2HB   ASN  12          HB1       ASN  12   0.646   1.704  -1.119
   94   1HD2  ASN  12          HD21      ASN  12   3.457   0.994  -3.202
   95   2HD2  ASN  12          HD22      ASN  12   3.717   2.602  -3.678
   96    H    ARG  13           HN       ARG  13   1.592   1.485   0.870
   97    HA   ARG  13           HA       ARG  13   3.926   2.989   1.356
   98   1HB   ARG  13          HB2       ARG  13   1.811   3.332   2.510
   99   2HB   ARG  13          HB1       ARG  13   1.903   1.727   3.234
  100   1HG   ARG  13          HG2       ARG  13   4.249   3.472   3.708
  101   2HG   ARG  13          HG1       ARG  13   2.753   3.983   4.489
  102   1HD   ARG  13          HD2       ARG  13   3.845   1.156   4.684
  103   2HD   ARG  13          HD1       ARG  13   4.134   2.411   5.905
  104    HE   ARG  13           HE       ARG  13   1.313   2.051   5.153
  105   1HH1  ARG  13          HH11      ARG  13   2.761  -0.412   6.462
  106   2HH1  ARG  13          HH12      ARG  13   2.249  -0.203   8.103
  107   1HH2  ARG  13          HH21      ARG  13   1.138   3.046   7.623
  108   2HH2  ARG  13          HH22      ARG  13   1.330   1.754   8.761
  109    H    SER  14           HN       SER  14   3.060  -0.186   2.792
  110    HA   SER  14           HA       SER  14   5.431  -0.639   4.251
  111   1HB   SER  14          HB2       SER  14   3.219  -2.199   3.062
  112   2HB   SER  14          HB1       SER  14   4.682  -3.127   3.383
  113    HG   SER  14           HG       SER  14   2.839  -2.259   5.102
  114    H    PHE  15           HN       PHE  15   4.714  -1.399   0.835
  115    HA   PHE  15           HA       PHE  15   7.176  -2.729   0.239
  116   1HB   PHE  15          HB2       PHE  15   4.806  -1.741  -1.071
  117   2HB   PHE  15          HB1       PHE  15   6.221  -1.324  -2.038
  118    HD1  PHE  15           HD1      PHE  15   3.913  -3.903  -1.203
  119    HD2  PHE  15           HD2      PHE  15   7.985  -3.227  -2.391
  120    HE1  PHE  15           HE1      PHE  15   4.076  -6.252  -1.982
  121    HE2  PHE  15           HE2      PHE  15   8.148  -5.576  -3.169
  122    HZ   PHE  15           HZ       PHE  15   6.193  -7.088  -2.965
  123    H    THR  16           HN       THR  16   6.205   0.658  -0.454
  124    HA   THR  16           HA       THR  16   8.797   1.509  -1.338
  125    HB   THR  16           HB       THR  16   6.946   3.424  -0.008
  126    HG1  THR  16           HG1      THR  16   5.305   2.388  -0.828
  127   1HG2  THR  16          HG21      THR  16   7.215   4.130  -2.637
  128   2HG2  THR  16          HG22      THR  16   8.717   3.247  -2.360
  129   3HG2  THR  16          HG23      THR  16   8.313   4.639  -1.354
  130    H    GLN  17           HN       GLN  17   7.213   1.574   1.853
  131    HA   GLN  17           HA       GLN  17   9.224   3.087   3.226
  132   1HB   GLN  17          HB2       GLN  17   7.036   1.151   3.930
  133   2HB   GLN  17          HB1       GLN  17   8.144   1.692   5.191
  134   1HG   GLN  17          HG2       GLN  17   7.000   3.792   3.416
  135   2HG   GLN  17          HG1       GLN  17   5.905   3.046   4.582
  136   1HE2  GLN  17          HE21      GLN  17   5.785   4.643   6.211
  137   2HE2  GLN  17          HE22      GLN  17   7.135   5.271   7.022
  138    H    ALA  18           HN       ALA  18   8.735  -0.449   2.922
  139    HA   ALA  18           HA       ALA  18  11.093  -1.164   4.428
  140   1HB   ALA  18          HB1       ALA  18  10.539  -3.380   3.677
  141   2HB   ALA  18          HB2       ALA  18   9.678  -2.754   2.272
  142   3HB   ALA  18          HB3       ALA  18   9.007  -2.533   3.887
  143    H    LEU  19           HN       LEU  19  10.442  -1.275   0.897
  144    HA   LEU  19           HA       LEU  19  13.044  -1.957   0.038
  145   1HB   LEU  19          HB2       LEU  19  11.215  -2.002  -1.487
  146   2HB   LEU  19          HB1       LEU  19  10.787  -0.326  -1.139
  147    HG   LEU  19           HG       LEU  19  13.543  -0.636  -2.095
  148   1HD1  LEU  19          HD11      LEU  19  11.381  -1.067  -4.148
  149   2HD1  LEU  19          HD12      LEU  19  12.125  -2.443  -3.333
  150   3HD1  LEU  19          HD13      LEU  19  13.116  -1.347  -4.296
  151   1HD2  LEU  19          HD21      LEU  19  11.176   1.134  -2.433
  152   2HD2  LEU  19          HD22      LEU  19  12.300   1.071  -3.790
  153   3HD2  LEU  19          HD23      LEU  19  12.872   1.557  -2.194
  154    H    GLY  20           HN       GLY  20  11.886   1.012   1.401
  155   1HA   GLY  20          HA2       GLY  20  14.022   2.668   0.258
  156   2HA   GLY  20          HA1       GLY  20  12.852   3.180   1.477
  157    H    LYS  21           HN       LYS  21  14.036   0.277   2.559
  158    HA   LYS  21           HA       LYS  21  15.643   1.552   4.630
  159   1HB   LYS  21          HB2       LYS  21  14.763  -1.214   3.854
  160   2HB   LYS  21          HB1       LYS  21  16.015  -1.022   5.082
  161   1HG   LYS  21          HG2       LYS  21  13.290   0.307   5.165
  162   2HG   LYS  21          HG1       LYS  21  13.738  -1.133   6.078
  163   1HD   LYS  21          HD2       LYS  21  14.363   0.326   7.700
  164   2HD   LYS  21          HD1       LYS  21  15.789   0.592   6.696
  165   1HE   LYS  21          HE2       LYS  21  15.035   2.788   6.916
  166   2HE   LYS  21          HE1       LYS  21  14.133   2.308   5.465
  167   1HZ   LYS  21          HZ1       LYS  21  12.526   1.336   7.299
  168   2HZ   LYS  21          HZ2       LYS  21  12.395   2.943   6.762
  169   3HZ   LYS  21          HZ3       LYS  21  13.196   2.594   8.220
  170   1HN   NH2  22          1HN       NH2  22  16.358   0.447   1.448
  171   2HN   NH2  22          2HN       NH2  22  18.042   0.307   1.619
  Start of MODEL   34
    1   1H    SER   1          1H        SER   1 -13.519  -8.654  -0.451
    2   2H    SER   1          2H        SER   1 -12.249  -9.292   0.480
    3   3H    SER   1          3H        SER   1 -12.184  -9.369  -1.216
    4    HA   SER   1           HA       SER   1 -12.403  -6.749  -0.958
    5   1HB   SER   1          HB2       SER   1 -12.511  -7.405   1.587
    6   2HB   SER   1          HB1       SER   1 -10.760  -7.530   1.439
    7    HG   SER   1           HG       SER   1 -12.445  -5.297   1.100
    8    H    GLY   2           HN       GLY   2  -9.696  -6.077  -0.072
    9   1HA   GLY   2          HA2       GLY   2  -7.403  -6.545  -0.626
   10   2HA   GLY   2          HA1       GLY   2  -7.949  -7.862  -1.665
   11    H    SER   3           HN       SER   3  -8.398  -4.310  -1.459
   12    HA   SER   3           HA       SER   3  -7.286  -3.858  -4.094
   13   1HB   SER   3          HB2       SER   3  -9.555  -3.241  -5.095
   14   2HB   SER   3          HB1       SER   3  -9.282  -4.964  -4.843
   15    HG   SER   3           HG       SER   3 -10.473  -4.816  -2.931
   16    H    LEU   4           HN       LEU   4  -6.552  -1.775  -3.954
   17    HA   LEU   4           HA       LEU   4  -6.304   0.426  -3.100
   18   1HB   LEU   4          HB2       LEU   4  -9.318   0.323  -3.419
   19   2HB   LEU   4          HB1       LEU   4  -8.272   1.732  -3.607
   20    HG   LEU   4           HG       LEU   4  -8.148  -0.749  -5.346
   21   1HD1  LEU   4          HD11      LEU   4  -8.895   1.300  -6.979
   22   2HD1  LEU   4          HD12      LEU   4  -9.725   1.754  -5.490
   23   3HD1  LEU   4          HD13      LEU   4 -10.035   0.183  -6.229
   24   1HD2  LEU   4          HD21      LEU   4  -6.669   1.881  -5.280
   25   2HD2  LEU   4          HD22      LEU   4  -6.811   0.959  -6.777
   26   3HD2  LEU   4          HD23      LEU   4  -6.007   0.250  -5.377
   27    H    SER   5           HN       SER   5  -8.550   1.774  -1.643
   28    HA   SER   5           HA       SER   5  -9.147   2.146   0.614
   29   1HB   SER   5          HB2       SER   5  -9.406  -0.754   0.010
   30   2HB   SER   5          HB1       SER   5  -9.460  -0.310   1.714
   31    HG   SER   5           HG       SER   5 -11.267   0.145  -0.303
   32    H    THR   6           HN       THR   6  -8.469   1.243   2.978
   33    HA   THR   6           HA       THR   6  -5.821   1.938   3.508
   34    HB   THR   6           HB       THR   6  -6.354   0.135   5.472
   35    HG1  THR   6           HG1      THR   6  -8.176  -0.660   4.397
   36   1HG2  THR   6          HG21      THR   6  -6.942   2.942   4.945
   37   2HG2  THR   6          HG22      THR   6  -6.363   2.178   6.425
   38   3HG2  THR   6          HG23      THR   6  -8.091   2.225   6.074
   39    H    PHE   7           HN       PHE   7  -7.081  -1.388   3.040
   40    HA   PHE   7           HA       PHE   7  -4.815  -2.930   3.376
   41   1HB   PHE   7          HB2       PHE   7  -7.216  -2.960   1.640
   42   2HB   PHE   7          HB1       PHE   7  -5.903  -4.015   1.116
   43    HD1  PHE   7           HD1      PHE   7  -6.565  -3.066   4.635
   44    HD2  PHE   7           HD2      PHE   7  -6.928  -6.131   1.647
   45    HE1  PHE   7           HE1      PHE   7  -7.180  -4.705   6.391
   46    HE2  PHE   7           HE2      PHE   7  -7.542  -7.770   3.404
   47    HZ   PHE   7           HZ       PHE   7  -7.668  -7.058   5.775
   48    H    PHE   8           HN       PHE   8  -5.722  -1.637   0.153
   49    HA   PHE   8           HA       PHE   8  -3.231  -2.153  -1.108
   50   1HB   PHE   8          HB2       PHE   8  -5.446  -1.553  -2.147
   51   2HB   PHE   8          HB1       PHE   8  -5.183   0.113  -1.630
   52    HD1  PHE   8           HD1      PHE   8  -3.046  -2.554  -3.195
   53    HD2  PHE   8           HD2      PHE   8  -4.480   1.491  -3.365
   54    HE1  PHE   8           HE1      PHE   8  -1.658  -2.147  -5.210
   55    HE2  PHE   8           HE2      PHE   8  -3.092   1.900  -5.378
   56    HZ   PHE   8           HZ       PHE   8  -1.681   0.080  -6.301
   57    H    ARG   9           HN       ARG   9  -4.408   0.823   0.501
   58    HA   ARG   9           HA       ARG   9  -2.140   2.463   0.032
   59   1HB   ARG   9          HB2       ARG   9  -4.570   2.498   1.466
   60   2HB   ARG   9          HB1       ARG   9  -3.315   2.848   2.655
   61   1HG   ARG   9          HG2       ARG   9  -3.625   4.271  -0.006
   62   2HG   ARG   9          HG1       ARG   9  -4.152   4.914   1.550
   63   1HD   ARG   9          HD2       ARG   9  -1.308   3.990   1.300
   64   2HD   ARG   9          HD1       ARG   9  -1.759   5.556   0.595
   65    HE   ARG   9           HE       ARG   9  -2.561   6.252   2.821
   66   1HH1  ARG   9          HH11      ARG   9   0.032   4.133   2.600
   67   2HH1  ARG   9          HH12      ARG   9   0.057   3.710   4.280
   68   1HH2  ARG   9          HH21      ARG   9  -2.910   5.347   5.010
   69   2HH2  ARG   9          HH22      ARG   9  -1.608   4.398   5.645
   70    H    LEU  10           HN       LEU  10  -2.853   0.348   2.839
   71    HA   LEU  10           HA       LEU  10  -0.432   0.817   4.266
   72   1HB   LEU  10          HB2       LEU  10  -2.767  -0.732   4.459
   73   2HB   LEU  10          HB1       LEU  10  -1.448  -1.902   4.477
   74    HG   LEU  10           HG       LEU  10  -1.813  -1.248   6.758
   75   1HD1  LEU  10          HD11      LEU  10   0.394  -1.008   7.160
   76   2HD1  LEU  10          HD12      LEU  10   0.413   0.600   6.436
   77   3HD1  LEU  10          HD13      LEU  10   0.609  -0.828   5.419
   78   1HD2  LEU  10          HD21      LEU  10  -2.840   0.735   7.105
   79   2HD2  LEU  10          HD22      LEU  10  -2.378   1.319   5.507
   80   3HD2  LEU  10          HD23      LEU  10  -1.270   1.502   6.866
   81    H    PHE  11           HN       PHE  11  -1.257  -1.845   2.005
   82    HA   PHE  11           HA       PHE  11   1.224  -3.189   2.013
   83   1HB   PHE  11          HB2       PHE  11  -1.219  -3.099   0.519
   84   2HB   PHE  11          HB1       PHE  11   0.121  -3.157  -0.626
   85    HD1  PHE  11           HD1      PHE  11   2.142  -4.673   0.930
   86    HD2  PHE  11           HD2      PHE  11  -2.085  -5.300   0.500
   87    HE1  PHE  11           HE1      PHE  11   2.451  -7.086   1.412
   88    HE2  PHE  11           HE2      PHE  11  -1.776  -7.714   0.982
   89    HZ   PHE  11           HZ       PHE  11   0.492  -8.606   1.438
   90    H    ASN  12           HN       ASN  12   0.151  -0.500  -0.094
   91    HA   ASN  12           HA       ASN  12   2.540  -0.268  -1.634
   92   1HB   ASN  12          HB2       ASN  12   0.178   1.403  -0.901
   93   2HB   ASN  12          HB1       ASN  12   1.557   2.239  -1.617
   94   1HD2  ASN  12          HD21      ASN  12  -0.054   2.551  -3.491
   95   2HD2  ASN  12          HD22      ASN  12  -0.175   1.306  -4.638
   96    H    ARG  13           HN       ARG  13   1.514   1.568   1.275
   97    HA   ARG  13           HA       ARG  13   3.817   3.158   1.611
   98   1HB   ARG  13          HB2       ARG  13   1.519   3.021   2.845
   99   2HB   ARG  13          HB1       ARG  13   2.340   1.872   3.904
  100   1HG   ARG  13          HG2       ARG  13   4.186   3.682   4.094
  101   2HG   ARG  13          HG1       ARG  13   2.970   4.785   3.448
  102   1HD   ARG  13          HD2       ARG  13   1.834   3.147   5.565
  103   2HD   ARG  13          HD1       ARG  13   3.256   4.038   6.141
  104    HE   ARG  13           HE       ARG  13   0.755   5.239   5.170
  105   1HH1  ARG  13          HH11      ARG  13   3.364   5.743   7.123
  106   2HH1  ARG  13          HH12      ARG  13   3.643   7.392   6.672
  107   1HH2  ARG  13          HH21      ARG  13   1.432   7.314   4.002
  108   2HH2  ARG  13          HH22      ARG  13   2.549   8.282   4.905
  109    H    SER  14           HN       SER  14   3.150  -0.049   3.078
  110    HA   SER  14           HA       SER  14   5.643  -0.390   4.388
  111   1HB   SER  14          HB2       SER  14   3.626  -1.770   4.719
  112   2HB   SER  14          HB1       SER  14   3.783  -2.405   3.083
  113    HG   SER  14           HG       SER  14   4.929  -3.278   5.306
  114    H    PHE  15           HN       PHE  15   4.639  -1.536   1.140
  115    HA   PHE  15           HA       PHE  15   7.062  -2.741   0.345
  116   1HB   PHE  15          HB2       PHE  15   4.651  -1.558  -0.886
  117   2HB   PHE  15          HB1       PHE  15   6.054  -1.624  -1.953
  118    HD1  PHE  15           HD1      PHE  15   6.794  -3.678  -2.887
  119    HD2  PHE  15           HD2      PHE  15   3.903  -3.683   0.290
  120    HE1  PHE  15           HE1      PHE  15   6.423  -6.106  -3.229
  121    HE2  PHE  15           HE2      PHE  15   3.533  -6.110  -0.051
  122    HZ   PHE  15           HZ       PHE  15   4.793  -7.323  -1.810
  123    H    THR  16           HN       THR  16   6.046   0.673   0.030
  124    HA   THR  16           HA       THR  16   8.396   1.591  -1.336
  125    HB   THR  16           HB       THR  16   6.466   3.002   0.538
  126    HG1  THR  16           HG1      THR  16   6.457   2.395  -2.216
  127   1HG2  THR  16          HG21      THR  16   8.835   3.966  -0.509
  128   2HG2  THR  16          HG22      THR  16   7.469   4.957   0.003
  129   3HG2  THR  16          HG23      THR  16   7.639   4.498  -1.691
  130    H    GLN  17           HN       GLN  17   7.522   1.622   2.140
  131    HA   GLN  17           HA       GLN  17   9.881   2.853   3.128
  132   1HB   GLN  17          HB2       GLN  17   7.619   2.178   4.229
  133   2HB   GLN  17          HB1       GLN  17   8.403   0.627   4.528
  134   1HG   GLN  17          HG2       GLN  17  10.222   2.717   5.260
  135   2HG   GLN  17          HG1       GLN  17   8.666   3.033   6.030
  136   1HE2  GLN  17          HE21      GLN  17   7.973   1.596   7.704
  137   2HE2  GLN  17          HE22      GLN  17   8.923   0.306   8.266
  138    H    ALA  18           HN       ALA  18   9.155  -0.615   2.624
  139    HA   ALA  18           HA       ALA  18  11.689  -1.595   3.565
  140   1HB   ALA  18          HB1       ALA  18  10.869  -3.553   1.983
  141   2HB   ALA  18          HB2       ALA  18   9.401  -2.580   1.890
  142   3HB   ALA  18          HB3       ALA  18   9.970  -3.171   3.452
  143    H    LEU  19           HN       LEU  19  10.469  -1.011   0.243
  144    HA   LEU  19           HA       LEU  19  12.762  -1.750  -1.212
  145   1HB   LEU  19          HB2       LEU  19  10.316  -0.252  -1.551
  146   2HB   LEU  19          HB1       LEU  19  11.628   0.551  -2.415
  147    HG   LEU  19           HG       LEU  19  11.227  -2.426  -2.643
  148   1HD1  LEU  19          HD11      LEU  19   9.898  -0.250  -4.286
  149   2HD1  LEU  19          HD12      LEU  19   9.083  -1.428  -3.257
  150   3HD1  LEU  19          HD13      LEU  19   9.920  -1.960  -4.716
  151   1HD2  LEU  19          HD21      LEU  19  12.094  -1.009  -5.004
  152   2HD2  LEU  19          HD22      LEU  19  12.956  -2.237  -4.078
  153   3HD2  LEU  19          HD23      LEU  19  13.092  -0.536  -3.630
  154    H    GLY  20           HN       GLY  20  11.993   1.406   0.283
  155   1HA   GLY  20          HA2       GLY  20  13.518   3.027   1.098
  156   2HA   GLY  20          HA1       GLY  20  14.848   2.000   0.555
  157    H    LYS  21           HN       LYS  21  12.778   2.200  -2.029
  158    HA   LYS  21           HA       LYS  21  12.812   3.465  -4.025
  159   1HB   LYS  21          HB2       LYS  21  12.798   5.215  -1.836
  160   2HB   LYS  21          HB1       LYS  21  14.079   5.828  -2.883
  161   1HG   LYS  21          HG2       LYS  21  11.254   5.189  -3.782
  162   2HG   LYS  21          HG1       LYS  21  11.872   6.809  -3.460
  163   1HD   LYS  21          HD2       LYS  21  13.678   6.346  -5.182
  164   2HD   LYS  21          HD1       LYS  21  12.789   4.884  -5.609
  165   1HE   LYS  21          HE2       LYS  21  10.991   7.165  -5.496
  166   2HE   LYS  21          HE1       LYS  21  12.324   7.460  -6.630
  167   1HZ   LYS  21          HZ1       LYS  21  10.644   5.008  -6.525
  168   2HZ   LYS  21          HZ2       LYS  21  11.946   5.268  -7.587
  169   3HZ   LYS  21          HZ3       LYS  21  10.544   6.221  -7.706
  170   1HN   NH2  22          1HN       NH2  22  14.939   1.731  -3.920
  171   2HN   NH2  22          2HN       NH2  22  16.380   2.478  -4.413